*HEADER    RIBONUCLEIC ACID                        31-AUG-06   2I7Z              
*TITLE     GAAA TETRALOOP RECEPTOR COMPLEX WITH ASSOCIATED MANGANESE             
*TITLE    2 IONS.                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 43-MER;                                                    
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: GAAA TETRALOOP RECEPTOR RNA                           
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: GAAA TETRALOOP AND 11-NT RECEPTOR SEQUENCES           
*SOURCE   4 ARE FOUND IN GROUP I AND GROUP II INTRONS                            
*KEYWDS    GAAA TETRALOOP, 11-NUCLEOTIDE RECEPTOR, RNA TERTIARY                  
*KEYWDS   2 STRUCTURE                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.H.DAVIS, S.E.BUTCHER                                                
*REVDAT   2   20-APR-11 2I7Z    1                                                
*REVDAT   1   03-APR-07 2I7Z    0                                                

!non-exchangeable NOEs molecule A

!residue 1  intranucleotide 
assi (resi 1   and name H8) (resi 1   and name H4*) 4.500 2.800 0.900 
assi (resi 1   and name H8) (resi 1   and name H2*) 4.500 2.800 0.900 
assi (resi 1   and name H8) (resi 1   and name H3*) 3.500 1.700 0.700
assi (resi 1   and name H8) (resi 1   and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 1  and name H1*) (resi 1  and name H2*) 3.00 1.200 0.600
assi (resi 1  and name H1*) (resi 1  and name H3*) 4.00 2.200 0.800 
assi (resi 1  and name H1*) (resi 1  and name H4*) 3.50 1.700 0.700
assi (resi 1  and name H3*) (resi 1  and name H2*) 3.00 1.200 0.600

!residue 2  intranucleotide
assi (resi 2   and name H8) (resi 2   and name H2*) 4.500 2.800 0.900 
assi (resi 2   and name H8) (resi 2   and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 2  and name H1*) (resi 2  and name H2*) 3.00 1.200 0.600

!residue 2  internucleotide
assi (resi 2   and name H8) (resi 1    and name H2*) 2.000 0.200 0.500
assi (resi 2   and name H8) (resi 1   and name H1*) 4.50 2.700 0.900 
assi (resi 2   and name H1*) (resi 1   and name H2*) 4.50 2.700 0.900 

!residue 3  intranucleotide
assi (resi 3   and name H8) (resi 3   and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 3  and name H1*) (resi 3  and name H2*) 3.00 1.200 0.600

!residue 3  internucleotide
assi (resi 3   and name H8) (resi 2    and name H2*) 2.000 0.200 0.500
assi (resi 3   and name H8) (resi 2    and name H8) 5.000 3.200 1.000 
assi (resi 3   and name H8) (resi 2   and name H1*) 4.50 2.700 0.900 
assi (resi 3   and name H1*) (resi 2   and name H2*) 4.50 2.700 0.900 
assi (resi 3   and name H1*) (resi 2   and name H1*) 6.000 3.000 1.000

!residue 4   intranucleotide
assi (resi 4  and name H8) (resi 4  and name H2*) 4.500 2.800 0.900 
assi (resi 4  and name H8) (resi 4  and name H1*) 4.000 2.200 0.800
assi (resi 4  and name H2) (resi 4  and name H1*) 5.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 4  and name H1*) (resi  4 and name H2*) 3.00 1.200 0.600

!residue 4   internucleotide
assi (resi  4 and name H8) (resi 3  and name H2*) 2.000 0.200 0.500
assi (resi  4 and name H8) (resi 3  and name H8) 5.000 3.200 1.000 
assi (resi  4 and name H8) (resi 3  and name H1*) 4.50 2.700 0.900 
assi (resi  4 and name H1*) (resi 3  and name H2*) 4.50 2.700 0.900 
assi (resi  4 and name H1*) (resi 3  and name H1*) 6.000 3.000 1.000
assi (resi  4 and name H2) (resi 5  and name H1*) 4.000 3.000 1.000
assi (resi  4 and name H2) (resi 41  and name H1*) 4.000 3.000 1.000

!residue 5    intranucleotide 
assi (resi 5  and name H5) (resi 5  and name H2*) 6.000 3.000 1.000 
assi (resi  5 and name H6) (resi 5  and name H2*) 4.000 2.200 0.800
assi (resi 5  and name H6) (resi 5  and name H1*) 4.000 2.200 0.800
assi (resi 5  and name H5) (resi 5  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 5  and name H1*) (resi 5  and name H2*) 3.00 1.200 0.600
assi (resi  5 and name H1*) (resi 5  and name H3*) 4.00 2.200 0.800 
assi (resi 5  and name H1*) (resi 5  and name H4*) 3.50 1.700 0.700

!residue 5    internucleotide 5* TETRALOOP RECEPTOR BEGINNING
assi (resi 5  and name H6) (resi 4  and name H1*) 4.500 2.700 0.900 
assi (resi 5  and name H5) (resi 4  and name H1*) 5.000 3.700 1.000  
assi (resi 5  and name H5) (resi  4 and name H2*) 3.500 1.800 0.700
assi (resi  5 and name H6) (resi  4 and name H2*) 2.000 0.200 0.500
assi (resi 5  and name H5) (resi  4 and name H8) 4.00 2.200 0.800
assi (resi 5  and name H6) (resi 4  and name H8) 5.000  3.000 1.000 
assi (resi 5  and name H1*) (resi  4 and name H2*) 4.500 2.800 0.900 
assi (resi 5  and name H1*) (resi 4  and name H1*) 6.000 3.000 1.000
assi (resi 5  and name H2*) (resi 37 and name H2) 4.500 2.800 0.900
assi (resi 5  and name H1*) (resi 37 and name H2) 4.500 2.800 0.900

!residue 6 intranucleotide
assi (resi 6  and name H8) (resi 6  and name H2*) 4.500 2.800 0.900 
assi (resi 6  and name H8) (resi 6  and name H3*) 3.500 1.700 0.700
assi (resi 6  and name H8) (resi 6  and name H1*) 4.000 2.200 0.800
assi (resi 6  and name H2) (resi 6  and name H1*) 5.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 6  and name H1*) (resi  6 and name H2*) 3.00 1.200 0.600
assi (resi 6  and name H1*) (resi  6 and name H3*) 4.00 2.200 0.800 
assi (resi 6  and name H1*) (resi  6 and name H4*) 3.50 1.700 0.700
assi (resi 6  and name H2*) (resi  6 and name H3*) 3.50 1.700 0.700

!residue 6 internucleotide
assi (resi 6  and name H8) (resi 5 and name H2*) 5.000 3.200 0.900
assi (resi 6  and name H1*) (resi 8 and name H8) 4.500 2.700 0.900
assi (resi 6  and name H1*) (resi 37 and name H2) 5.000 3.200 0.900
assi (resi 6  and name H8) (resi 8 and name H8) 5.000 3.200 0.900
assi (resi 6  and name H2) (resi 8 and name H8) 5.000 3.200 0.900
assi (resi 6  and name H2*) (resi 8 and name H8) 4.500 2.700 0.900
assi (resi 6  and name H2) (resi 38 and name H2) 4.500 2.700 0.900
assi (resi 6  and name H2) (resi 8 and name H1*) 4.500 2.700 0.900

!residue 7 intranucleotide
assi (resi 7  and name H5) (resi 7  and name H2*) 6.000 3.000 1.000 
assi (resi 7  and name H6) (resi 7  and name H2*) 4.000 2.200 0.800
assi (resi 7  and name H6) (resi 7  and name H1*) 4.000 2.200 0.800
assi (resi 7  and name H5) (resi 7  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 7  and name H1*) (resi 7  and name H2*) 3.00 1.200 0.600
assi (resi 7  and name H1*) (resi 7  and name H3*) 4.00 2.200 0.800 
assi (resi 7  and name H2*) (resi 7  and name H3*) 3.00 1.200 0.700

!residue 7 internucleotide
assi (resi 7  and name H5) (resi 6  and name H2) 5.500 3.200 1.000 
assi (resi 7  and name H5) (resi 6  and name H2*) 5.500 3.700 1.000  
assi (resi 7  and name H5) (resi 6  and name H1*) 5.500 3.200 1.000
assi (resi 7  and name H6) (resi 6  and name H1*) 5.500 3.800 1.000
assi (resi 7  and name H3*) (resi 6  and name H1*) 5.500 3.200 0.900
assi (resi 7  and name H2*) (resi 6  and name H1*) 5.500 3.200 1.000
assi (resi  7 and name H2*) (resi 6  and name H2) 5.500 3.200 0.900
assi (resi 7  and name H2*) (resi 6  and name H8) 6.00 3.200 0.900
assi (resi 7  and name H1*) (resi 6  and name H1*) 5.500 3.800 0.900 
assi (resi 7  and name H1*) (resi 6  and name H1*) 5.500 3.800 0.900 

!residue 8   intranucleotide
assi (resi 8  and name H8) (resi 8  and name H2*) 4.500 2.800 0.900 
assi (resi 8  and name H8) (resi 8  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 8  and name H1*) (resi  8 and name H2*) 3.00 1.200 0.600

!G8 internucleotide
assi (resi 8  and name H8) (resi 7  and name H2*) 6.00 3.200 1.000
assi (resi 8  and name H8) (resi 7  and name H6) 6.00 3.200 1.000
assi (resi 8  and name H2*) (resi 7  and name H6) 6.00 3.200 1.000

!residue 9   intranucleotide
assi (resi 9  and name H8) (resi 9  and name H2*) 4.500 2.800 0.900 
assi (resi 9  and name H8) (resi 9  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 9  and name H1*) (resi  9 and name H2*) 3.00 1.200 0.600

!residue 9    internucleotide  END 5* TETRALOOP RECEPTOR
assi (resi  9 and name H8) (resi 8  and name H2*) 2.000 0.200 0.500
assi (resi  9 and name H8) (resi 8  and name H8) 5.000 3.200 1.000 
assi (resi  9 and name H8) (resi 8  and name H1*) 4.50 2.700 0.900 
assi (resi  9 and name H1*) (resi 8  and name H2*) 4.50 2.700 0.900 
assi (resi  9 and name H1*) (resi 8   and name H1*) 6.000 3.000 1.000


!residue 10   intranucleotide
assi (resi 10  and name H8) (resi 10  and name H2*) 4.500 2.800 0.900 
assi (resi 10  and name H8) (resi 10  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 10  and name H1*) (resi  10 and name H2*) 3.00 1.200 0.600

!residue 10    internucleotide
assi (resi  10 and name H8) (resi 9  and name H2*) 2.000 0.200 0.500
assi (resi  10 and name H8) (resi 9  and name H8) 5.000 3.200 1.000 
assi (resi  10 and name H8) (resi 9  and name H1*) 4.50 2.700 0.900 
assi (resi  10 and name H1*) (resi 9  and name H2*) 4.50 2.700 0.900 
assi (resi  10 and name H2) (resi 34  and name H1*) 4.50 2.700 0.900 
assi (resi  10 and name H2) (resi 34  and name H6) 5.000 3.200 1.000 

!residue 11   intranucleotide
assi (resi 11  and name H8) (resi 11  and name H2*) 4.500 2.800 0.900 
assi (resi 11  and name H8) (resi 11  and name H1*) 4.000 2.200 0.800
assi (resi 11  and name H2) (resi 11  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 11  and name H1*) (resi  11 and name H2*) 3.00 1.200 0.600

!residue 11    internucleotide
assi (resi  11 and name H8) (resi 10  and name H2*) 2.000 0.200 0.500
assi (resi  11 and name H8) (resi 10  and name H8) 5.000 3.200 1.000 
assi (resi  11 and name H8) (resi 10  and name H1*) 4.50 2.700 0.900 
assi (resi  11 and name H8) (resi 10  and name H2) 6.000 3.000 1.000 
assi (resi  11 and name H1*) (resi 10  and name H2*) 4.50 2.700 0.900 
assi (resi  11 and name H1*) (resi 10   and name H1*) 6.000 3.000 1.000
assi (resi  11 and name H1*) (resi 10  and name H2) 4.50 2.700 0.900 
assi (resi  11 and name H2) (resi 12  and name H1*) 4.50 2.700 0.900
assi (resi  11 and name H2) (resi 33  and name H1*) 4.50 2.700 0.900  
assi (resi  11 and name H2) (resi 33  and name H6) 6.000 3.000 1.000 
assi (resi  11 and name H2) (resi 10  and name H2) 5.000 3.200 1.000 

!residue 12    intranucleotide
assi (resi 12  and name H8) (resi  12 and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi  12 and name H1*) (resi 12  and name H2*) 3.00 1.200 0.600

!residue 12    internucleotide
assi (resi  12 and name H8) (resi  11 and name H1*) 4.500 2.700 0.900 
assi (resi  12 and name H8) (resi  11 and name H2*) 3.500 1.800 0.700
assi (resi  12 and name H8) (resi  11 and name H8) 5.000  3.000 1.000 
assi (resi  12 and name H1*) (resi  11 and name H2*) 4.500 2.800 0.900 
assi (resi  12 and name H1*) (resi  11 and name H1*) 6.000 3.000 1.000
assi (resi  12 and name H8) (resi  11 and name H2) 6.000 3.000 1.000

!residue 13 intranucleotide
assi (resi 13  and name H8) (resi 13  and name H2*) 4.500 2.800 0.900 
assi (resi 13  and name H8) (resi 13  and name H1*) 4.000 2.200 0.800
assi (resi 13  and name H2) (resi 13  and name H1*) 5.000 3.200 1.000

!intranucleotide sugar noes
assi (resi 13  and name H1*) (resi 13  and name H2*) 3.00 1.200 0.600

!residue 13 internulceotide
assi (resi 13  and name H8) (resi 12  and name H2*) 2.000 0.200 0.500
assi (resi 13  and name H8) (resi 12  and name H1*) 4.50 2.700 0.900 
assi (resi 13  and name H1*) (resi 12  and name H2*) 4.50 2.700 0.900 
assi (resi 13 and name H1*) (resi  12 and name H1*) 6.000 3.000 1.000
assi (resi 13 and name H2) (resi 31  and name H1*) 4.50 2.700 0.900  
assi (resi 13 and name H2) (resi 13  and name H8) 6.00 3.000 1.000  
assi (resi 13 and name H2) (resi 31  and name H6) 6.00 3.000 1.000

!residue 14 intranucleotide
assi (resi 14  and name H8) (resi 14  and name H1*) 4.000 2.200 0.800
assi (resi 14  and name H2) (resi 14  and name H1*) 6.00 3.000 1.000

!intranucleotide sugar noes
assi (resi 14  and name H1*) (resi 14  and name H2*) 3.00 1.200 0.600

!residue 14 internucleotide
assi (resi  14 and name H8) (resi 13  and name H2*) 2.000 0.200 0.500
assi (resi  14 and name H8) (resi 13  and name H8) 5.000 3.200 1.000 
assi (resi  14 and name H8) (resi  13 and name H1*) 4.50 2.700 0.900 
assi (resi  14 and name H8) (resi 13  and name H2) 6.00 3.000 1.000  
assi (resi  14 and name H1*) (resi 13  and name H2*) 4.50 2.700 0.900 
assi (resi  14 and name H1*) (resi 13  and name H1*) 6.000 3.000 1.000
assi (resi  14 and name H1*) (resi 13  and name H2) 4.50 2.700 0.900
assi (resi  14 and name H2) (resi 15  and name H1*) 4.50 2.700 0.900 
assi (resi  14 and name H2) (resi 30  and name H1*) 4.50 2.700 0.900  
assi (resi  14 and name H2) (resi 13  and name H2) 6.00 3.000 1.000  
assi (resi  14 and name H2) (resi 30  and name H6) 6.00 3.000 1.000  

!residue 15 intranucleotide
assi (resi 15  and name H5) (resi  15 and name H2*) 6.000 3.000 1.000 
assi (resi 15  and name H6) (resi  15 and name H2*) 4.000 2.200 0.800
assi (resi 15  and name H6) (resi  15 and name H1*) 4.000 2.200 0.800
assi (resi 15  and name H5) (resi  15 and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi  15 and name H1*) (resi 15  and name H2*) 3.00 1.200 0.600

!residue 15 internucleotide
assi (resi 15  and name H6) (resi 14  and name H1*) 4.500 2.700 0.900 
assi (resi 15  and name H5) (resi 14  and name H1*) 5.000 3.700 1.000  
assi (resi 15  and name H5) (resi 14  and name H2*) 3.500 1.800 0.700
assi (resi 15  and name H6) (resi 14  and name H2*) 2.000 0.200 0.500
assi (resi 15  and name H5) (resi 14  and name H8) 4.00 2.200 0.800
assi (resi 15  and name H6) (resi 14  and name H8) 5.000  3.000 1.000 
assi (resi 15  and name H1*) (resi 14  and name H2*) 4.500 2.800 0.900 
assi (resi 15  and name H1*) (resi 14 and name H1*) 6.000 3.000 1.000 
assi (resi 15  and name H5) (resi 14  and name H2) 5.000  3.200 1.000 

!residue 16 intranucleotide
assi (resi 16  and name H5) (resi 16  and name H2*) 6.000 3.000 1.000 
assi (resi 16  and name H6) (resi 16  and name H3*) 3.000 1.200 0.600
assi (resi 16  and name H6) (resi 16  and name H1*) 4.000 2.200 0.800
assi (resi 16  and name H5) (resi 16  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 16  and name H1*) (resi 16  and name H2*) 3.00 1.200 0.600

!residue 16 internucleotide
assi (resi 16  and name H1*) (resi 15  and name H1*) 5.900 3.000 1.000 
assi (resi 16  and name H1*) (resi 15  and name H2*) 4.500 2.800 0.900 
assi (resi 16  and name H6) (resi 15  and name H1*) 4.500 2.800 0.900
assi (resi 16  and name H5) (resi 15  and name H1*) 5.000 3.000 1.000  
assi (resi 16  and name H5) (resi 15  and name H2*) 3.500 1.700 0.700
assi (resi 16  and name H6) (resi 15  and name H2*) 2.000 0.200 0.500
assi (resi 16  and name H5) (resi 15  and name H5) 4.000 2.200 0.800
assi (resi 16  and name H5) (resi 15  and name H6) 4.000 2.250 0.800 
assi (resi 16  and name H6) (resi 15  and name H6) 5.000 3.000 1.000
assi (resi 16  and name H6) (resi 15  and name H5) 5.000 3.000 1.000

!residue 17 intranucleotide
assi (resi 17  and name H8) (resi 17  and name H2*) 4.500 2.800 0.900 
assi (resi 17  and name H8) (resi 17  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 17  and name H1*) (resi 17  and name H2*) 3.00 1.200 0.600

!residue 17 internulceotide
assi (resi 17  and name H8) (resi 16  and name H2*) 2.000 0.200 0.500
assi (resi 17  and name H8) (resi 16  and name H6) 5.000 3.200 1.000 
assi (resi 17  and name H8) (resi 16  and name H5) 6.000 3.000 1.000
assi (resi 17  and name H8) (resi 16  and name H1*) 4.50 2.700 0.900 
assi (resi 17  and name H1*) (resi 16  and name H2*) 4.50 2.700 0.900 
assi (resi 17  and name H1*) (resi 16  and name H1*) 6.000 3.000 1.000

!residue 18 intranucleotide
assi (resi 18  and name H8) (resi 18  and name H2*) 4.500 2.800 0.900 
assi (resi 18  and name H8) (resi 18  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 18  and name H1*) (resi 18  and name H2*) 3.00 1.200 0.600

!residue 18 internucleotide
assi (resi 18  and name H8) (resi 17  and name H2*) 2.000 0.200 0.500
assi (resi 18  and name H8) (resi 17  and name H8) 5.000 3.200 1.000 
assi (resi 18  and name H8) (resi 17  and name H1*) 4.50 2.700 0.900 
assi (resi  18 and name H1*) (resi 17  and name H2*) 4.50 2.700 0.900 
assi (resi  18 and name H1*) (resi 17  and name H1*) 6.000 3.000 1.000

!residue 19 intranucleotide
assi (resi 19  and name H8) (resi 19  and name H2*) 4.500 2.800 0.900 
assi (resi 19  and name H8) (resi 19  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 19  and name H1*) (resi 19  and name H2*) 3.00 1.200 0.600

!residue 19 internucleotide
assi (resi 19  and name H8) (resi 18  and name H2*) 2.000 0.200 0.500
assi (resi 19  and name H8) (resi 18  and name H1*) 4.50 2.700 0.900 
assi (resi  19 and name H1*) (resi 18  and name H2*) 4.50 2.700 0.900 
assi (resi  19 and name H1*) (resi 18  and name H1*) 6.000 3.000 1.000
assi (resi  19 and name H2*) (resi 20  and name H8) 3.000 1.200 0.600

!G20 intra
assi (resi 20  and name H8) (resi 20  and name H2*) 4.500 2.800 0.900 
assi (resi 20  and name H8) (resi 20  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 20  and name H1*) (resi 20  and name H2*) 3.00 1.200 0.600

!GAAA TETRALOOP BEGIN

!G20 inter
assi (resi 20 and  name H2*) (resi 22  and name H8) 5.00 3.000 1.000
assi (resi 20 and  name H8) (resi 19  and name H8) 5.00 3.000 1.000
assi (resi 20 and  name H1*) (resi 19  and name H1*) 5.00 3.000 1.000
assi (resi 20 and  name H2*) (resi 19  and name H2*) 5.00 2.000 1.000
!A21 intra
assi (resi 21  and name H8) (resi 21  and name H2*) 4.500 2.800 0.900 
assi (resi 21  and name H8) (resi 21  and name H1*) 4.000 2.200 0.800
assi (resi 21 and name H1*) (resi 21  and name H2) 5.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 21  and name H1*) (resi 21  and name H2*) 3.00 1.200 0.600

!21 inter
assi (resi 21 and  name H1*) (resi 22  and name H1*) 5.00 3.000 1.000
assi (resi 21 and  name H2) (resi 22  and name H2) 5.00 3.000 1.000
assi (resi 21 and  name H8) (resi 22  and name H8) 6.00 3.000 1.000
assi (resi 21 and  name H2*) (resi 22  and name H8) 3.00 1.200 0.600
assi (resi 21 and  name H2) (resi 22  and name H1*) 3.00 1.200 0.600
assi (resi 21 and  name H2*) (resi 22 and name H1*) 5.00 3.000 1.000

!A22 intra
assi (resi 22  and name H8) (resi 22  and name H2*) 4.500 2.800 0.900 
assi (resi 22  and name H8) (resi 22  and name H1*) 4.000 2.200 0.800
assi (resi 22  and name H2) (resi 22  and name H1*) 5.000 3.200 0.800

!intranucleotide sugar noes
assi (resi 22  and name H1*) (resi 22  and name H2*) 3.00 1.200 0.600

!22 inter
assi (resi 23 and  name H2) (resi 22  and name H2) 4.00 2.200 1.000
assi (resi 23 and  name H8) (resi 22  and name H8) 6.00 3.000 1.000
assi (resi 23 and  name H1*) (resi 22  and name H2) 5.00 3.200 1.000
assi (resi 22 and  name H2*) (resi 23  and name H8) 4.00 2.200 1.000
assi (resi 22 and  name H1*) (resi 21  and name H8) 5.00 3.200 1.000
assi (resi 22 and  name H1*) (resi 23  and name H8) 5.00 3.200 1.000

!A23 intra
assi (resi 23  and name H8) (resi 23  and name H2*) 4.500 2.800 0.900 
assi (resi 23  and name H8) (resi 23  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 23  and name H1*) (resi 23  and name H2*) 3.00 1.200 0.600

!23 inter
assi (resi 23  and name H8) (resi 24  and name H6) 4.000 2.200 0.800
assi (resi 23  and name H8) (resi 24  and name H5) 4.000 2.200 0.800
assi (resi 23  and name H2*) (resi 24  and name H6) 4.000 2.200 0.800
assi (resi 23  and name H8) (resi 24  and name H1*) 5.000 3.200 0.800 !backward
assi (resi 23  and name H1*) (resi 24  and name H1*) 6.000 3.200 0.800
assi (resi 23  and name H1*) (resi 24  and name H5) 6.000 3.200 0.800
assi (resi 23  and name H2*) (resi 22  and name H2) 4.500 2.700 0.900
assi (resi 23  and name H2*) (resi 24  and name H1*) 5.000 3.200 1.000
assi (resi 24  and name H1*) (resi 23  and name H2) 5.000 3.200 1.000
 
!GAAA TETRALOOP END

!residue 24 intranucleotide
assi (resi 24  and name H5) (resi 24  and name H2*) 6.000 3.000 1.000 
assi (resi 24  and name H6) (resi 24  and name H2*) 4.000 2.200 0.800
assi (resi 24  and name H6) (resi 24  and name H3*) 3.000 1.200 0.600
assi (resi 24  and name H6) (resi 24  and name H1*) 4.000 2.200 0.800
assi (resi 24  and name H5) (resi 24  and name H1*) 6.000 3.000 1.000
assi (resi 24  and name H5) (resi 24  and name H3*) 6.000 3.000 1.000
assi (resi 24  and name H5) (resi 24  and name H4*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 24  and name H1*) (resi 24  and name H2*) 3.00 1.200 0.600
assi (resi 24  and name H1*) (resi 24  and name H3*) 4.00 2.200 0.800 
assi (resi 24  and name H1*) (resi 24  and name H4*) 3.50 1.700 0.700
assi (resi 24  and name H2*) (resi 24  and name H3*) 4.50 2.700 0.900
assi (resi 24  and name H3*) (resi 24  and name H4*) 4.50 2.700 0.900

!C24 inter noes listed at 23 and 25

!residue 25 intranucleotide
assi (resi 25  and name H5) (resi 25  and name H2*) 6.000 3.000 1.000 
assi (resi 25  and name H6) (resi 25  and name H2*) 4.000 2.200 0.800
assi (resi 25  and name H6) (resi 25  and name H1*) 4.000 2.200 0.800
assi (resi 25  and name H5) (resi 25  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 25  and name H1*) (resi 25  and name H2*) 3.00 1.200 0.600

!residue 25 internucleotide
assi (resi 25  and name H1*) (resi 24  and name H1*) 5.900 3.000 1.000 
assi (resi 25  and name H1*) (resi 24  and name H2*) 4.500 2.800 0.900 
assi (resi 25  and name H6) (resi 24  and name H1*) 4.500 2.800 0.900
assi (resi 25  and name H5) (resi 24  and name H1*) 5.000 3.000 1.000  
assi (resi 25  and name H5) (resi 24  and name H2*) 3.500 1.700 0.700
assi (resi 25  and name H6) (resi 24  and name H2*) 2.000 0.200 0.500
assi (resi 25  and name H6) (resi 24  and name H3*) 3.500 1.700 0.700
assi (resi 25  and name H5) (resi 24  and name H3*) 3.500 1.700 0.700
assi (resi 25  and name H5) (resi 24  and name H5) 4.000 2.200 0.800
assi (resi 25  and name H5) (resi 24  and name H6) 4.000 2.250 0.800 
assi (resi 25  and name H6) (resi 24  and name H6) 5.000 3.000 1.000 
assi (resi 25  and name H6) (resi 24  and name H5) 4.500 2.800 0.900

!residue 26 intranucleotide
assi (resi 26  and name H6) (resi 26  and name H2*) 4.000 2.200 0.800
assi (resi 26  and name H6) (resi 26  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 26  and name H1*) (resi 26  and name H2*) 3.00 1.200 0.600

!residue 26 internucleotide
assi (resi 26  and name H1*) (resi 25  and name H1*) 5.900 3.000 1.000 
assi (resi 26  and name H1*) (resi 25  and name H2*) 4.500 2.800 0.900 
assi (resi 26  and name H6) (resi 25  and name H1*) 4.500 2.800 0.900
assi (resi 26  and name H5) (resi 25  and name H1*) 5.000 3.000 1.000  
assi (resi 26  and name H6) (resi 25  and name H2*) 2.000 0.200 0.500
assi (resi 26  and name H5) (resi 25  and name H5) 4.000 2.200 0.800
assi (resi 26  and name H5) (resi 25  and name H6) 4.000 2.250 0.800 
assi (resi 26  and name H2*) (resi 25  and name H2*) 4.000 2.200 1.000 
!residue 27 intranucleotide
assi (resi 27  and name H8) (resi 27  and name H2*) 4.500 2.800 0.900 
assi (resi 27  and name H8) (resi 27  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 27  and name H1*) (resi  27 and name H2*) 3.00 1.200 0.600

!residue 27 internulceotide
assi (resi  27 and name H8) (resi  26 and name H2*) 2.000 0.200 0.500
assi (resi  27 and name H8) (resi  26 and name H6) 5.000 3.200 1.000 
assi (resi  27 and name H8) (resi  26 and name H1*) 4.50 2.700 0.900 
assi (resi  27 and name H1*) (resi 26  and name H2*) 4.50 2.700 0.900 
assi (resi  27 and name H1*) (resi 26  and name H1*) 6.000 3.000 1.000
assi (resi  27 and name H1*) (resi 26  and name H5) 6.000 3.000 1.000

!residue 28 intranucleotide
assi (resi 28  and name H8) (resi 28  and name H2*) 4.500 2.800 0.900 
assi (resi 28  and name H8) (resi 28  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 28  and name H1*) (resi 28  and name H2*) 3.00 1.200 0.600
assi (resi 28  and name H1*) (resi 28  and name H3*) 4.00 2.200 0.800 
assi (resi 28  and name H1*) (resi 28  and name H4*) 3.50 1.700 0.700
assi (resi 28  and name H1*) (resi 28  and name H5**) 6.00 3.000 1.000

!residue 28 internucleotide
assi (resi 28  and name H8) (resi  27 and name H2*) 2.000 0.200 0.500
assi (resi 28  and name H8) (resi  27 and name H8) 5.000 3.200 1.000 
assi (resi 28  and name H8) (resi  27 and name H1*) 4.50 2.700 0.900 

!residue 29 intranucleotide
assi (resi 29  and name H5) (resi 29  and name H2*) 6.000 3.000 1.000 
assi (resi 29  and name H6) (resi 29  and name H1*) 4.000 2.200 0.800
assi (resi 29  and name H5) (resi 29  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 29  and name H1*) (resi  29 and name H2*) 3.00 1.200 0.600

!residue 29 internucleotide
assi (resi 29  and name H6) (resi  28 and name H1*) 4.500 2.700 0.900 
assi (resi 29  and name H5) (resi  28 and name H1*) 5.000 3.700 1.000  
assi (resi 29  and name H5) (resi  28 and name H2*) 3.500 1.800 0.700
assi (resi 29  and name H6) (resi  28 and name H2*) 2.000 0.200 0.500
assi (resi 29  and name H5) (resi  28 and name H8) 4.00 2.200 0.800
assi (resi 29  and name H6) (resi  28 and name H8) 5.000  3.000 1.000 
assi (resi 29  and name H1*) (resi 28  and name H2*) 4.500 2.800 0.900 
assi (resi 29  and name H1*) (resi 28  and name H1*) 6.000 3.000 1.000 

!residue 30 intranucleotide
assi (resi 30  and name H5) (resi 30  and name H2*) 6.000 3.000 1.000 
assi (resi 30  and name H6) (resi 30  and name H2*) 4.000 2.200 0.800
assi (resi 30  and name H6) (resi 30  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 30  and name H1*) (resi 30  and name H2*) 3.00 1.200 0.600

!residue 30 internucleotide
assi (resi 30  and name H1*) (resi 29  and name H1*) 5.900 3.000 1.000 
assi (resi 30  and name H1*) (resi 29  and name H2*) 4.500 2.800 0.900 
assi (resi 30  and name H6) (resi  29 and name H1*) 4.500 2.800 0.900
assi (resi 30  and name H5) (resi  29 and name H1*) 5.000 3.000 1.000  
assi (resi  30 and name H6) (resi 29  and name H2*) 2.000 0.200 0.500
assi (resi  30 and name H5) (resi  29 and name H5) 4.000 2.200 0.800
assi (resi  30 and name H5) (resi 29  and name H6) 4.000 2.250 0.800 
assi (resi  30 and name H6) (resi 29  and name H6) 5.000 3.000 1.000 
assi (resi 30  and name H1*) (resi 13  and name H2) 5.000 3.000 1.000 

!residue 31 intranucleotide
assi (resi 31  and name H5) (resi 31  and name H2*) 6.000 3.000 1.000 
assi (resi 31  and name H6) (resi 31  and name H2*) 4.000 2.200 0.800
assi (resi 31  and name H6) (resi 31  and name H1*) 4.000 2.200 0.800
assi (resi 31  and name H5) (resi 31  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 31  and name H1*) (resi 31  and name H2*) 3.00 1.200 0.600

!residue 31 internucleotide
assi (resi 31  and name H1*) (resi 30  and name H1*) 5.900 3.000 1.000 
assi (resi 31  and name H1*) (resi 30  and name H2*) 4.500 2.800 0.900 
assi (resi 31  and name H6) (resi 30  and name H1*) 4.500 2.800 0.900
assi (resi 31  and name H5) (resi 30  and name H1*) 5.000 3.000 1.000  
assi (resi 31  and name H6) (resi 30  and name H2*) 2.000 0.200 0.500
assi (resi 31  and name H5) (resi 30  and name H6) 4.000 2.250 0.800 
assi (resi 31  and name H6) (resi 30  and name H6) 5.000 3.000 1.000 
assi (resi 31  and name H6) (resi 30  and name H5) 5.000 3.000 1.000 

!residue 32 intranucleotide
assi (resi 32  and name H5) (resi 32  and name H2*) 6.000 3.000 1.000 
assi (resi 32  and name H6) (resi 32  and name H2*) 4.000 2.200 0.800
assi (resi 32  and name H6) (resi 32  and name H1*) 4.000 2.200 0.800
assi (resi 32  and name H5) (resi 32  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 32  and name H1*) (resi 32  and name H2*) 3.00 1.200 0.600

!residue 32 internucleotide
assi (resi 32  and name H1*) (resi 31  and name H1*) 5.900 3.000 1.000 
assi (resi 32  and name H1*) (resi 31  and name H2*) 4.500 2.800 0.900 
assi (resi 32  and name H6) (resi 31  and name H1*) 4.500 2.800 0.900
assi (resi 32  and name H5) (resi 31  and name H1*) 5.000 3.000 1.000  
assi (resi 32  and name H5) (resi 31  and name H2*) 3.500 1.700 0.700
assi (resi 32  and name H6) (resi 31  and name H2*) 2.000 0.200 0.500
assi (resi 32  and name H5) (resi 31  and name H5) 4.000 2.200 0.800
assi (resi 32  and name H5) (resi 31  and name H6) 4.000 2.250 0.800 
assi (resi 32  and name H6) (resi 31  and name H6) 5.000 3.000 1.000 

!residue 33 intranucleotide
assi (resi 33  and name H5) (resi 33  and name H2*) 6.000 3.000 1.000 
assi (resi 33  and name H6) (resi 33  and name H2*) 4.000 2.200 0.800
assi (resi 33  and name H6) (resi 33  and name H1*) 4.000 2.200 0.800
assi (resi 33  and name H5) (resi 33  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 33  and name H1*) (resi 33  and name H2*) 3.00 1.200 0.600

!residue 33 internucleotide
assi (resi 33  and name H1*) (resi 32  and name H1*) 5.900 3.000 1.000 
assi (resi 33  and name H1*) (resi 32  and name H2*) 4.500 2.800 0.900 
assi (resi 33  and name H6) (resi 32  and name H1*) 4.500 2.800 0.900
assi (resi 33  and name H5) (resi 32  and name H1*) 5.000 3.000 1.000  
assi (resi 33  and name H5) (resi 32  and name H2*) 3.500 1.700 0.700
assi (resi 33  and name H6) (resi 32  and name H2*) 2.000 0.200 0.500
assi (resi 33  and name H5) (resi 32  and name H5) 4.000 2.200 0.800
assi (resi 33  and name H5) (resi 32  and name H6) 4.000 2.250 0.800 
assi (resi 33  and name H6) (resi 32  and name H6) 5.000 3.000 1.000
assi (resi 33  and name H1*) (resi 10  and name H2) 4.500 2.700 1.000

!residue 34 intranucleotide  3* TETRALOOP RECEPTOR BEGINNING
assi (resi 34  and name H5) (resi 34  and name H2*) 6.000 3.000 1.000 
assi (resi 34  and name H6) (resi 34  and name H2*) 4.000 2.200 0.800
assi (resi 34  and name H6) (resi 34  and name H1*) 4.000 2.200 0.800
assi (resi 34  and name H5) (resi 34  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 34  and name H1*) (resi 34  and name H2*) 3.00 1.200 0.600

!residue 34 internucleotide
assi (resi 34  and name H1*) (resi 33  and name H1*) 5.900 3.000 1.000 
assi (resi 34  and name H1*) (resi 33  and name H2*) 4.500 2.800 0.900 
assi (resi 34  and name H6) (resi 33  and name H1*) 4.500 2.800 0.900
assi (resi 34  and name H5) (resi 33  and name H1*) 5.000 3.000 1.000  
assi (resi 34  and name H5) (resi 33  and name H2*) 3.500 1.700 0.700
assi (resi 34  and name H6) (resi 33  and name H2*) 2.000 0.200 0.500
assi (resi 34  and name H5) (resi 33  and name H5) 4.000 2.200 0.800
assi (resi 34  and name H5) (resi 33  and name H6) 4.000 2.250 0.800 
assi (resi 34  and name H6) (resi 33  and name H6) 5.000 3.000 1.000

!residue 35 intranucleotide
assi (resi 35  and name H6) (resi 35  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 35  and name H1*) (resi 35  and name H2*) 3.00 1.200 0.600

!residue 35 internucleotide
assi (resi 35  and name H6) (resi 34  and name H2*) 2.000 0.200 0.500
assi (resi 35  and name H5) (resi 34  and name H5) 4.000 2.200 0.800
assi (resi 35  and name H5) (resi 34  and name H6) 4.000 2.250 0.800 
assi (resi 35  and name H6) (resi 34  and name H6) 5.000 3.000 1.000

!residue 36 intranucleotide
assi (resi 36  and name H5) (resi 36  and name H2*) 6.000 3.000 1.000 
assi (resi 36  and name H6) (resi 36  and name H2*) 4.000 2.200 0.800
assi (resi 36  and name H6) (resi 36  and name H1*) 4.000 2.200 0.800
assi (resi 36  and name H5) (resi 36  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 36  and name H1*) (resi 36  and name H2*) 3.00 1.200 0.600

!U36 inter
assi (resi 36  and name H2*) (resi 37  and name H8) 3.00 1.200 0.500
assi (resi 36  and name H5) (resi 35  and name H2*) 4.000 2.200 1.000
assi (resi 36  and name H5) (resi 35  and name H6) 5.000 3.200 1.000
assi (resi 36  and name H6) (resi 35  and name H6) 5.000 3.200 1.000
assi (resi 36  and name H6) (resi 37  and name H8) 5.000 3.200 1.000
assi (resi 36  and name H5) (resi 35  and name H5) 4.000 2.200 1.000
assi (resi 35  and name H1*) (resi 36  and name H6) 5.000 3.000 1.000
assi (resi 35  and name H2*) (resi 36  and name H6) 2.500 0.700 0.500

!residue 37 intranucleotide
assi (resi 37  and name H8) (resi 37  and name H2*) 4.500 2.800 0.900 
assi (resi 37  and name H8) (resi 37  and name H3*) 3.500 1.700 0.700
assi (resi 37  and name H8) (resi 37  and name H1*) 4.000 2.200 0.800
assi (resi 37  and name H2) (resi 37  and name H1*) 5.000 3.200 0.800

!intranucleotide sugar noes
assi (resi 37  and name H1*) (resi 37  and name H2*) 3.00 1.200 0.600
assi (resi 37  and name H1*) (resi 37  and name H3*) 4.00 2.200 0.800 
assi (resi 37  and name H3*) (resi 37  and name H2*) 5.000 3.200 0.800
!A37 inter
assi (resi 37  and name H1*) (resi 38  and name H8) 3.00 1.200 0.500
assi (resi 37  and name H2) (resi 6  and name H1*) 5.000 3.200 0.800
assi (resi 37  and name H2) (resi 6  and name H8) 5.000 3.200 0.800
assi (resi 37  and name H2) (resi 5  and name H6) 6.000 3.200 0.800
assi (resi 37  and name H2) (resi 6  and name H2) 5.000 3.200 0.800

!residue 38 intranucleotide
assi (resi 38  and name H8) (resi 38  and name H2*) 4.500 2.800 0.900 
assi (resi 38  and name H8) (resi 38  and name H1*) 4.000 2.200 0.800
assi (resi 38  and name H2) (resi 38  and name H1*) 5.000 3.200 0.800
!intranucleotide sugar noes
assi (resi 38  and name H1*) (resi 38  and name H2*) 3.00 1.200 0.600

!A38 inter
assi (resi 38  and name H2) (resi 39  and name H1*) 4.500 2.700 0.800
assi (resi 38  and name H8) (resi 39  and name H8) 4.500 2.800 0.900

!residue 39 intranucleotide  END 3* TETRALOOP RECEPTOR
assi (resi 39  and name H8) (resi 39  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 39  and name H1*) (resi 39  and name H2*) 3.00 1.200 0.600

!G39 inter
assi (resi 39  and name H1*) (resi 38  and name H1*) 5.00 3.200 1.000
assi (resi 39  and name H8) (resi 38  and name H1*) 4.500 2.700 0.900
assi (resi 39  and name H8) (resi 38  and name H2*) 4.00 2.200 0.800
assi (resi 39  and name H8) (resi 38  and name H2) 5.000 3.200 1.000

!residue 40 intranucleotide
assi (resi 40  and name H5) (resi 40  and name H2*) 6.000 3.000 1.000 
assi (resi 40  and name H6) (resi 40  and name H2*) 4.000 2.200 0.800
assi (resi 40  and name H6) (resi 40  and name H1*) 4.000 2.200 0.800
assi (resi 40  and name H5) (resi 40  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 40  and name H1*) (resi 40  and name H2*) 3.00 1.200 0.600

!residue 40 internucleotide
assi (resi 40  and name H6) (resi 39  and name H1*) 4.500 2.700 0.900 
assi (resi 40  and name H5) (resi 39  and name H1*) 5.000 3.700 1.000  
assi (resi 40  and name H6) (resi 39  and name H2*) 2.500 0.700 0.400
assi (resi 40  and name H5) (resi 39  and name H8) 4.00 2.200 0.800
assi (resi 40  and name H6) (resi 39  and name H8) 5.000  3.000 1.000 
assi (resi 40  and name H1*) (resi 39  and name H2*) 4.500 2.800 0.900 
assi (resi 40  and name H1*) (resi 39  and name H1*) 6.000 3.000 1.000 

!residue 41 intranucleotide
assi (resi 41  and name H6) (resi 41  and name H2*) 4.000 2.200 0.800
assi (resi 41  and name H6) (resi 41  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 41  and name H1*) (resi 41  and name H2*) 3.00 1.200 0.600

!residue 41 internucleotide
assi (resi 41  and name H1*) (resi 40  and name H1*) 5.900 3.000 1.000 
assi (resi 41  and name H6) (resi  40 and name H1*) 4.500 2.800 0.900
assi (resi 41  and name H5) (resi  40 and name H1*) 5.000 3.000 1.000  
assi (resi 41  and name H6) (resi  40 and name H2*) 2.000 0.200 0.500
assi (resi 41  and name H5) (resi  40 and name H5) 4.000 2.200 0.800
assi (resi 41  and name H5) (resi  40 and name H6) 4.000 2.250 0.800 
assi (resi 41  and name H6) (resi  40 and name H6) 5.000 3.000 1.000 

!residue 42 intranucleotide
assi (resi 42  and name H5) (resi 42  and name H2*) 6.000 3.000 1.000 
assi (resi 42  and name H6) (resi 42  and name H2*) 4.000 2.200 0.800
assi (resi 42  and name H6) (resi 42  and name H1*) 4.000 2.200 0.800
assi (resi 42  and name H5) (resi 42  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 42  and name H1*) (resi 42  and name H2*) 3.00 1.200 0.600

!residue 42 internucleotide
assi (resi 42  and name H1*) (resi 41  and name H1*) 5.900 3.000 1.000 
assi (resi 42  and name H1*) (resi 41  and name H2*) 4.500 2.800 0.900 
assi (resi 42  and name H6) (resi  41 and name H1*) 4.500 2.800 0.900
assi (resi 42  and name H5) (resi  41 and name H1*) 5.000 3.000 1.000  
assi (resi 42  and name H5) (resi  41 and name H2*) 3.500 1.700 0.700
assi (resi 42  and name H6) (resi  41 and name H2*) 2.000 0.200 0.500
assi (resi 42  and name H5) (resi  41 and name H6) 4.000 2.250 0.800 
assi (resi 42  and name H6) (resi  41 and name H6) 5.000 3.000 1.000 

!residue 43 intranucleotide
assi (resi 43  and name H5) (resi 43  and name H2*) 6.000 3.000 1.000 
assi (resi 43  and name H6) (resi 43  and name H2*) 4.000 2.200 0.800
assi (resi 43  and name H6) (resi 43  and name H1*) 4.000 2.200 0.800
assi (resi 43  and name H5) (resi 43  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 43  and name H1*) (resi 43  and name H2*) 3.00 1.200 0.600
assi (resi 43  and name H1*) (resi 43  and name H3*) 4.00 2.200 0.800 

!residue 43 internucleotide
assi (resi 43  and name H1*) (resi 42  and name H1*) 5.900 3.000 1.000 
assi (resi 43  and name H6) (resi  42 and name H1*) 4.500 2.800 0.900
assi (resi 43  and name H5) (resi  42 and name H1*) 5.000 3.000 1.000  
assi (resi 43  and name H5) (resi  42 and name H2*) 3.500 1.700 0.700
assi (resi 43  and name H6) (resi  42 and name H2*) 2.000 0.200 0.500
assi (resi 43  and name H5) (resi  42 and name H5) 4.000 2.200 0.800
assi (resi 43  and name H5) (resi  42 and name H6) 4.000 2.250 0.800 
assi (resi 43  and name H6) (resi  42 and name H6) 5.000 3.000 1.000 


!non-exchangeable NOEs molecule B

!residue 44  intranucleotide 
assi (resi 44  and name H8) (resi 44  and name H4*) 4.500 2.800 0.900 
assi (resi 44  and name H8) (resi 44  and name H2*) 4.500 2.800 0.900 
assi (resi 44  and name H8) (resi 44  and name H3*) 3.500 1.700 0.700
assi (resi 44  and name H8) (resi 44  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 44 and name H1*) (resi 44 and name H2*) 3.00 1.200 0.600
assi (resi 44 and name H1*) (resi 44 and name H3*) 4.00 2.200 0.800 
assi (resi 44 and name H1*) (resi 44 and name H4*) 3.50 1.700 0.700
assi (resi 44 and name H3*) (resi 44 and name H2*) 3.00 1.200 0.600

!residue 45 intranucleotide
assi (resi 45  and name H8) (resi 45  and name H2*) 4.500 2.800 0.900 
assi (resi 45  and name H8) (resi 45  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 45 and name H1*) (resi 45 and name H2*) 3.00 1.200 0.600

!residue 45 internucleotide
assi (resi 45  and name H8) (resi 44   and name H2*) 2.000 0.200 0.500
assi (resi 45  and name H8) (resi 44  and name H1*) 4.50 2.700 0.900 
assi (resi 45  and name H1*) (resi 44  and name H2*) 4.50 2.700 0.900 

!residue 46 intranucleotide
assi (resi 46  and name H8) (resi 46  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 46 and name H1*) (resi 46 and name H2*) 3.00 1.200 0.600

!residue 46 internucleotide
assi (resi 46  and name H8) (resi 45   and name H2*) 2.000 0.200 0.500
assi (resi 46  and name H8) (resi 45   and name H8) 5.000 3.200 1.000 
assi (resi 46  and name H8) (resi 45  and name H1*) 4.50 2.700 0.900 
assi (resi 46  and name H1*) (resi 45  and name H2*) 4.50 2.700 0.900 
assi (resi 46  and name H1*) (resi 45  and name H1*) 6.000 3.000 1.000

!residue 47  intranucleotide
assi (resi 47 and name H8) (resi 47 and name H2*) 4.500 2.800 0.900 
assi (resi 47 and name H8) (resi 47 and name H1*) 4.000 2.200 0.800
assi (resi 47 and name H2) (resi 47 and name H1*) 5.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 47 and name H1*) (resi 47 and name H2*) 3.00 1.200 0.600

!residue 47  internucleotide
assi (resi  47 and name H8) (resi 46 and name H2*) 2.000 0.200 0.500
assi (resi  47 and name H8) (resi 46 and name H8) 5.000 3.200 1.000 
assi (resi  47 and name H8) (resi 46 and name H1*) 4.50 2.700 0.900 
assi (resi  47 and name H1*) (resi 46 and name H2*) 4.50 2.700 0.900 
assi (resi  47 and name H1*) (resi 46 and name H1*) 6.000 3.000 1.000
assi (resi  47 and name H2) (resi 48 and name H1*) 4.000 3.000 1.000
assi (resi  47 and name H2) (resi 84  and name H1*) 4.000 3.000 1.000

!residue 48   intranucleotide 
assi (resi 48 and name H5) (resi 48 and name H2*) 6.000 3.000 1.000 
assi (resi 48 and name H6) (resi 48 and name H2*) 4.000 2.200 0.800
assi (resi 48 and name H6) (resi 48 and name H1*) 4.000 2.200 0.800
assi (resi 48 and name H5) (resi 48 and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 48 and name H1*) (resi 48 and name H2*) 3.00 1.200 0.600
assi (resi 48 and name H1*) (resi 48 and name H3*) 4.00 2.200 0.800 
assi (resi 48 and name H1*) (resi 48 and name H4*) 3.50 1.700 0.700

!residue 48   internucleotide 5* TETRALOOP RECEPTOR BEGINNING
assi (resi 48 and name H6) (resi 47 and name H1*) 4.500 2.700 0.900 
assi (resi 48 and name H5) (resi 47 and name H1*) 5.000 3.700 1.000  
assi (resi 48 and name H5) (resi 47 and name H2*) 3.500 1.800 0.700
assi (resi 48 and name H6) (resi 47 and name H2*) 2.000 0.200 0.500
assi (resi 48 and name H5) (resi 47 and name H8) 4.00 2.200 0.800
assi (resi 48 and name H6) (resi 47 and name H8) 5.000  3.000 1.000 
assi (resi 48 and name H1*) (resi 47 and name H2*) 4.500 2.800 0.900 
assi (resi 48 and name H1*) (resi 47 and name H1*) 6.000 3.000 1.000
assi (resi 48 and name H2*) (resi 80 and name H2) 4.500 2.800 0.900
assi (resi 48 and name H1*) (resi 80 and name H2) 4.500 2.800 0.900

!residue 49intranucleotide
assi (resi 49 and name H8) (resi 49 and name H2*) 4.500 2.800 0.900 
assi (resi 49 and name H8) (resi 49 and name H3*) 3.500 1.700 0.700
assi (resi 49 and name H8) (resi 49 and name H1*) 4.000 2.200 0.800
assi (resi 49 and name H2) (resi 49 and name H1*) 5.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 49 and name H1*) (resi 49 and name H2*) 3.00 1.200 0.600
assi (resi 49 and name H1*) (resi 49 and name H3*) 4.00 2.200 0.800 
assi (resi 49 and name H1*) (resi 49 and name H4*) 3.50 1.700 0.700
assi (resi 49 and name H2*) (resi 49 and name H3*) 3.50 1.700 0.700

!residue 49internucleotide
assi (resi 49 and name H8) (resi 48 and name H2*) 5.000 3.200 0.900
assi (resi 49 and name H1*) (resi 51 and name H8) 4.500 2.700 0.900
assi (resi 49 and name H1*) (resi 80 and name H2) 5.000 3.200 0.900
assi (resi 49 and name H8) (resi 51 and name H8) 5.000 3.200 0.900
assi (resi 49 and name H2) (resi 51 and name H8) 5.000 3.200 0.900
assi (resi 49 and name H8) (resi 51 and name H8) 5.000 3.200 0.900
assi (resi 49 and name H2*) (resi 51 and name H8) 4.500 2.700 0.900
assi (resi 49 and name H2) (resi 81 and name H2) 4.500 2.700 0.900
assi (resi 49 and name H2) (resi 51 and name H1*) 4.500 2.700 0.900

!residue 50intranucleotide
assi (resi 50 and name H5) (resi 50 and name H2*) 6.000 3.000 1.000 
assi (resi 50 and name H6) (resi 50 and name H2*) 4.000 2.200 0.800
assi (resi 50 and name H6) (resi 50 and name H1*) 4.000 2.200 0.800
assi (resi 50 and name H5) (resi 50 and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 50 and name H1*) (resi 50 and name H2*) 3.00 1.200 0.600
assi (resi 50 and name H1*) (resi 50 and name H3*) 4.00 2.200 0.800 
assi (resi 50 and name H2*) (resi 50 and name H3*) 3.00 1.200 0.700

!residue 50internucleotide
assi (resi 50 and name H5) (resi 49 and name H2) 5.500 3.200 1.000 
assi (resi 50 and name H5) (resi 49 and name H2*) 5.500 3.700 1.000  
assi (resi 50 and name H5) (resi 49 and name H1*) 5.500 3.200 1.000
assi (resi 50 and name H6) (resi 49 and name H1*) 5.500 3.800 1.000
assi (resi 50 and name H3*) (resi 49 and name H1*) 5.500 3.200 0.900
assi (resi 50 and name H2*) (resi 49 and name H1*) 5.000 3.200 1.000
assi (resi 50 and name H2*) (resi 49 and name H2) 5.500 3.200 0.900
assi (resi 50 and name H2*) (resi 49 and name H8) 5.500 3.200 0.900
assi (resi 50 and name H1*) (resi 49 and name H1*) 5.500 3.800 0.900 
assi (resi 50 and name H1*) (resi 49 and name H1*) 5.500 3.800 0.900 

!residue 51  intranucleotide
assi (resi 51 and name H8) (resi 51 and name H2*) 4.500 2.800 0.900 
assi (resi 51 and name H8) (resi 51 and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 51 and name H1*) (resi 51 and name H2*) 3.00 1.200 0.600

!G8 internucleotide
assi (resi 51 and name H8) (resi 50 and name H2*) 6.00 3.200 1.000
assi (resi 51 and name H8) (resi 50 and name H6) 6.00 3.200 1.000
assi (resi 51 and name H2*) (resi 50 and name H6) 6.00 3.200 1.000

!residue 52  intranucleotide
assi (resi 52 and name H8) (resi 52 and name H2*) 4.500 2.800 0.900 
assi (resi 52 and name H8) (resi 52 and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 52 and name H1*) (resi 52 and name H2*) 3.00 1.200 0.600

!residue 52   internucleotide  END 5* TETRALOOP RECEPTOR
assi (resi 52 and name H8) (resi 51 and name H2*) 2.000 0.200 0.500
assi (resi 52 and name H8) (resi 51 and name H8) 5.000 3.200 1.000 
assi (resi 52 and name H8) (resi 51 and name H1*) 4.50 2.700 0.900 
assi (resi 52 and name H1*) (resi 51 and name H2*) 4.50 2.700 0.900 
assi (resi 52 and name H1*) (resi 51  and name H1*) 6.000 3.000 1.000


!residue 53   intranucleotide
assi (resi 53  and name H8) (resi 53  and name H2*) 4.500 2.800 0.900 
assi (resi 53  and name H8) (resi 53  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 53  and name H1*) (resi  53 and name H2*) 3.00 1.200 0.600

!residue 53    internucleotide
assi (resi  53 and name H8) (resi 52 and name H2*) 2.000 0.200 0.500
assi (resi  53 and name H8) (resi 52 and name H8) 5.000 3.200 1.000 
assi (resi  53 and name H8) (resi 52 and name H1*) 4.50 2.700 0.900 
assi (resi  53 and name H1*) (resi 52 and name H2*) 4.50 2.700 0.900 
assi (resi  53 and name H2) (resi 77  and name H1*) 4.50 2.700 0.900 
assi (resi  53 and name H2) (resi 77  and name H6) 5.000 3.200 1.000 

!residue 54   intranucleotide
assi (resi 54  and name H8) (resi 54  and name H2*) 4.500 2.800 0.900 
assi (resi 54  and name H8) (resi 54  and name H1*) 4.000 2.200 0.800
assi (resi 54  and name H2) (resi 54  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 54  and name H1*) (resi  54 and name H2*) 3.00 1.200 0.600

!residue 54    internucleotide
assi (resi  54 and name H8) (resi 53  and name H2*) 2.000 0.200 0.500
assi (resi  54 and name H8) (resi 53  and name H8) 5.000 3.200 1.000 
assi (resi  54 and name H8) (resi 53  and name H1*) 4.50 2.700 0.900 
assi (resi  54 and name H8) (resi 53  and name H2) 6.000 3.000 1.000 
assi (resi  54 and name H1*) (resi 53  and name H2*) 4.50 2.700 0.900 
assi (resi  54 and name H1*) (resi 53   and name H1*) 6.000 3.000 1.000
assi (resi  54 and name H1*) (resi 53  and name H2) 4.50 2.700 0.900 
assi (resi  54 and name H2) (resi 55  and name H1*) 4.50 2.700 0.900
assi (resi  54 and name H2) (resi 76  and name H1*) 4.50 2.700 0.900  
assi (resi  54 and name H2) (resi 76  and name H6) 6.000 3.000 1.000 
assi (resi  54 and name H2) (resi 53  and name H2) 5.000 3.200 1.000 

!residue 55    intranucleotide
assi (resi 55  and name H8) (resi  55 and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi  55 and name H1*) (resi 55  and name H2*) 3.00 1.200 0.600

!residue 55    internucleotide
assi (resi  55 and name H8) (resi  54 and name H1*) 4.500 2.700 0.900 
assi (resi  55 and name H8) (resi  54 and name H2*) 3.500 1.800 0.700
assi (resi  55 and name H8) (resi  54 and name H8) 5.000  3.000 1.000 
assi (resi  55 and name H1*) (resi  54 and name H2*) 4.500 2.800 0.900 
assi (resi  55 and name H1*) (resi  54 and name H1*) 6.000 3.000 1.000
assi (resi  55 and name H8) (resi  54 and name H2) 6.000 3.000 1.000

!residue 56 intranucleotide
assi (resi 56  and name H8) (resi 56  and name H2*) 4.500 2.800 0.900 
assi (resi 56  and name H8) (resi 56  and name H1*) 4.000 2.200 0.800
assi (resi 56  and name H2) (resi 56  and name H1*) 5.000 3.200 1.000

!intranucleotide sugar noes
assi (resi 56  and name H1*) (resi 56  and name H2*) 3.00 1.200 0.600

!residue 56 internulceotide
assi (resi 56  and name H8) (resi 55  and name H2*) 2.000 0.200 0.500
assi (resi 56  and name H8) (resi 55  and name H1*) 4.50 2.700 0.900 
assi (resi 56  and name H1*) (resi 55  and name H2*) 4.50 2.700 0.900 
assi (resi 56 and name H1*) (resi  55 and name H1*) 6.000 3.000 1.000
assi (resi 56 and name H2) (resi 74  and name H1*) 4.50 2.700 0.900  
assi (resi 56 and name H2) (resi 56  and name H8) 6.00 3.000 1.000  
assi (resi 56 and name H2) (resi 74  and name H6) 6.00 3.000 1.000

!residue 57 intranucleotide
assi (resi 57  and name H8) (resi 57  and name H1*) 4.000 2.200 0.800
assi (resi 57  and name H2) (resi 57  and name H1*) 6.00 3.000 1.000

!intranucleotide sugar noes
assi (resi 57  and name H1*) (resi 57  and name H2*) 3.00 1.200 0.600

!residue 57 internucleotide
assi (resi  57 and name H8) (resi 56  and name H2*) 2.000 0.200 0.500
assi (resi  57 and name H8) (resi 56  and name H8) 5.000 3.200 1.000 
assi (resi  57 and name H8) (resi  56 and name H1*) 4.50 2.700 0.900 
assi (resi  57 and name H8) (resi 56  and name H2) 6.00 3.000 1.000  
assi (resi  57 and name H1*) (resi 56  and name H2*) 4.50 2.700 0.900 
assi (resi  57 and name H1*) (resi 56  and name H1*) 6.000 3.000 1.000
assi (resi  57 and name H1*) (resi 56  and name H2) 4.50 2.700 0.900
assi (resi  57 and name H2) (resi 58  and name H1*) 4.50 2.700 0.900 
assi (resi  57 and name H2) (resi 73  and name H1*) 4.50 2.700 0.900  
assi (resi  57 and name H2) (resi 56  and name H2) 6.00 3.000 1.000  
assi (resi  57 and name H2) (resi 73  and name H6) 6.00 3.000 1.000  

!residue 58 intranucleotide
assi (resi 58  and name H5) (resi  58 and name H2*) 6.000 3.000 1.000 
assi (resi 58  and name H6) (resi  58 and name H2*) 4.000 2.200 0.800
assi (resi 58  and name H6) (resi  58 and name H1*) 4.000 2.200 0.800
assi (resi 58  and name H5) (resi  58 and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi  58 and name H1*) (resi 58  and name H2*) 3.00 1.200 0.600

!residue 58 internucleotide
assi (resi 58  and name H6) (resi 57  and name H1*) 4.500 2.700 0.900 
assi (resi 58  and name H5) (resi 57  and name H1*) 5.000 3.700 1.000  
assi (resi 58  and name H5) (resi 57  and name H2*) 3.500 1.800 0.700
assi (resi 58  and name H6) (resi 57  and name H2*) 2.000 0.200 0.500
assi (resi 58  and name H5) (resi 57  and name H8) 4.00 2.200 0.800
assi (resi 58  and name H6) (resi 57  and name H8) 5.000  3.000 1.000 
assi (resi 58  and name H1*) (resi 57  and name H2*) 4.500 2.800 0.900 
assi (resi 58  and name H1*) (resi 57 and name H1*) 6.000 3.000 1.000 
assi (resi 58  and name H5) (resi 57  and name H2) 5.000  3.200 1.000 

!residue 59 intranucleotide
assi (resi 59  and name H5) (resi 59  and name H2*) 6.000 3.000 1.000 
assi (resi 59  and name H6) (resi 59  and name H3*) 3.000 1.200 0.600
assi (resi 59  and name H6) (resi 59  and name H1*) 4.000 2.200 0.800
assi (resi 59  and name H5) (resi 59  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 59  and name H1*) (resi 59  and name H2*) 3.00 1.200 0.600

!residue 59 internucleotide
assi (resi 59  and name H1*) (resi 58  and name H1*) 5.900 3.000 1.000 
assi (resi 59  and name H1*) (resi 58  and name H2*) 4.500 2.800 0.900 
assi (resi 59  and name H6) (resi 58  and name H1*) 4.500 2.800 0.900
assi (resi 59  and name H5) (resi 58  and name H1*) 5.000 3.000 1.000  
assi (resi 59  and name H5) (resi 58  and name H2*) 3.500 1.700 0.700
assi (resi 59  and name H6) (resi 58  and name H2*) 2.000 0.200 0.500
assi (resi 59  and name H5) (resi 58  and name H5) 4.000 2.200 0.800
assi (resi 59  and name H5) (resi 58  and name H6) 4.000 2.250 0.800 
assi (resi 59  and name H6) (resi 58  and name H6) 5.000 3.000 1.000
assi (resi 59  and name H6) (resi 58  and name H5) 5.000 3.000 1.000

!residue 60 intranucleotide
assi (resi 60  and name H8) (resi 60  and name H2*) 4.500 2.800 0.900 
assi (resi 60  and name H8) (resi 60  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 60  and name H1*) (resi 60  and name H2*) 3.00 1.200 0.600

!residue 60 internulceotide
assi (resi 60  and name H8) (resi 59  and name H2*) 2.000 0.200 0.500
assi (resi 60  and name H8) (resi 59  and name H6) 5.000 3.200 1.000 
assi (resi 60  and name H8) (resi 59  and name H5) 6.000 3.000 1.000
assi (resi 60  and name H8) (resi 59  and name H1*) 4.50 2.700 0.900 
assi (resi 60  and name H1*) (resi 59  and name H2*) 4.50 2.700 0.900 
assi (resi 60  and name H1*) (resi 59  and name H1*) 6.000 3.000 1.000

!residue 61 intranucleotide
assi (resi 61  and name H8) (resi 61  and name H2*) 4.500 2.800 0.900 
assi (resi 61  and name H8) (resi 61  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 61  and name H1*) (resi 61  and name H2*) 3.00 1.200 0.600

!residue 61 internucleotide
assi (resi 61  and name H8) (resi 60  and name H2*) 2.000 0.200 0.500
assi (resi 61  and name H8) (resi 60  and name H8) 5.000 3.200 1.000 
assi (resi 61  and name H8) (resi 60  and name H1*) 4.50 2.700 0.900 
assi (resi  61 and name H1*) (resi 60  and name H2*) 4.50 2.700 0.900 
assi (resi  61 and name H1*) (resi 60  and name H1*) 6.000 3.000 1.000

!residue 62 intranucleotide
assi (resi 62  and name H8) (resi 62  and name H2*) 4.500 2.800 0.900 
assi (resi 62  and name H8) (resi 62  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 62  and name H1*) (resi 62  and name H2*) 3.00 1.200 0.600

!residue 62 internucleotide
assi (resi 62  and name H8) (resi 61  and name H2*) 2.000 0.200 0.500
assi (resi 62  and name H8) (resi 61  and name H1*) 4.50 2.700 0.900 
assi (resi  62 and name H1*) (resi 61  and name H2*) 4.50 2.700 0.900 
assi (resi  62 and name H1*) (resi 61  and name H1*) 6.000 3.000 1.000
assi (resi  62 and name H2*) (resi 63  and name H8) 3.000 1.200 0.600

!G20 intra
assi (resi 63  and name H8) (resi 63  and name H2*) 4.500 2.800 0.900 
assi (resi 63  and name H8) (resi 63  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 63  and name H1*) (resi 63  and name H2*) 3.00 1.200 0.600

!GAAA TETRALOOP BEGIN

!G20 inter
assi (resi 63 and  name H2*) (resi 65  and name H8) 5.00 3.000 1.000
assi (resi 63 and  name H8) (resi 62  and name H8) 5.00 3.000 1.000
assi (resi 63 and  name H1*) (resi 62  and name H1*) 5.00 3.000 1.000
assi (resi 63 and  name H2*) (resi 62  and name H2*) 5.000 2.000 1.000

!A21 intra
assi (resi 64  and name H8) (resi 64  and name H2*) 4.500 2.800 0.900 
assi (resi 64  and name H8) (resi 64  and name H1*) 4.000 2.200 0.800
assi (resi 64 and name H1*) (resi 64  and name H2) 5.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 64  and name H1*) (resi 64  and name H2*) 3.00 1.200 0.600

!21 inter
assi (resi 64 and  name H1*) (resi 65  and name H1*) 5.00 3.000 1.000
assi (resi 64 and  name H2) (resi 65  and name H2) 5.00 3.000 1.000
assi (resi 64 and  name H8) (resi 65  and name H8) 6.00 3.000 1.000
assi (resi 64 and  name H2*) (resi 65  and name H8) 3.00 1.200 0.600
assi (resi 64 and  name H2) (resi 65  and name H1*) 3.00 1.200 0.600
assi (resi 64 and  name H2*) (resi 65 and name H1*) 5.00 3.000 1.000

!A22 intra
assi (resi 65  and name H8) (resi 65  and name H2*) 4.500 2.800 0.900 
assi (resi 65  and name H8) (resi 65  and name H1*) 4.000 2.200 0.800
assi (resi 65  and name H2) (resi 65  and name H1*) 5.000 3.200 0.800

!intranucleotide sugar noes
assi (resi 65  and name H1*) (resi 65  and name H2*) 3.00 1.200 0.600

!22 inter
assi (resi 66 and  name H2) (resi 65  and name H2) 4.00 2.200 1.000
assi (resi 66 and  name H8) (resi 65  and name H8) 6.00 3.000 1.000
assi (resi 66 and  name H1*) (resi 65  and name H2) 5.00 3.200 1.000
assi (resi 65 and  name H2*) (resi 66  and name H8) 4.00 2.200 1.000
assi (resi 65 and  name H1*) (resi 64  and name H8) 5.00 3.200 1.000
assi (resi 65 and  name H1*) (resi 66  and name H8) 5.00 3.200 1.000

!A23 intra
assi (resi 66  and name H8) (resi 66  and name H2*) 4.500 2.800 0.900 
assi (resi 66  and name H8) (resi 66  and name H1*) 4.000 2.200 0.800
!intranucleotide sugar noes
assi (resi 66  and name H1*) (resi 66  and name H2*) 3.00 1.200 0.600

!23 inter
assi (resi 66  and name H8) (resi 67  and name H6) 4.000 2.200 0.800
assi (resi 66  and name H8) (resi 67  and name H5) 4.000 2.200 0.800
assi (resi 66  and name H2*) (resi 67  and name H6) 4.000 2.200 0.800
assi (resi 66  and name H8) (resi 67  and name H1*) 5.000 3.200 0.800 !backward
assi (resi 66  and name H1*) (resi 67  and name H1*) 6.000 3.200 0.800
assi (resi 66  and name H1*) (resi 67  and name H5) 6.000 3.200 0.800
assi (resi 66  and name H2*) (resi 65  and name H2) 4.500 2.700 0.900
assi (resi 66  and name H2*) (resi 67  and name H1*) 5.000 3.200 1.000
assi (resi 67  and name H1*) (resi 66  and name H2) 5.000 3.200 1.000
 
!GAAA TETRALOOP END

!residue 67 intranucleotide
assi (resi 67  and name H5) (resi 67  and name H2*) 6.000 3.000 1.000 
assi (resi 67  and name H6) (resi 67  and name H2*) 4.000 2.200 0.800
assi (resi 67  and name H6) (resi 67  and name H3*) 3.000 1.200 0.600
assi (resi 67  and name H6) (resi 67  and name H1*) 4.000 2.200 0.800
assi (resi 67  and name H5) (resi 67  and name H1*) 6.000 3.000 1.000
assi (resi 67  and name H5) (resi 67  and name H3*) 6.000 3.000 1.000
assi (resi 67  and name H5) (resi 67  and name H4*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 67  and name H1*) (resi 67  and name H2*) 3.00 1.200 0.600
assi (resi 67  and name H1*) (resi 67  and name H3*) 4.00 2.200 0.800 
assi (resi 67  and name H1*) (resi 67  and name H4*) 3.50 1.700 0.700
assi (resi 67  and name H2*) (resi 67  and name H3*) 4.50 2.700 0.900
assi (resi 67  and name H3*) (resi 67  and name H4*) 4.50 2.700 0.900

!C24 inter noes listed at 66 and 25

!residue 68 intranucleotide
assi (resi 68  and name H5) (resi 68  and name H2*) 6.000 3.000 1.000 
assi (resi 68  and name H6) (resi 68  and name H2*) 4.000 2.200 0.800
assi (resi 68  and name H6) (resi 68  and name H1*) 4.000 2.200 0.800
assi (resi 68  and name H5) (resi 68  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 68  and name H1*) (resi 68  and name H2*) 3.00 1.200 0.600

!residue 68 internucleotide
assi (resi 68  and name H1*) (resi 67  and name H1*) 5.900 3.000 1.000 
assi (resi 68  and name H1*) (resi 67  and name H2*) 4.500 2.800 0.900 
assi (resi 68  and name H6) (resi 67  and name H1*) 4.500 2.800 0.900
assi (resi 68  and name H5) (resi 67  and name H1*) 5.000 3.000 1.000  
assi (resi 68  and name H5) (resi 67  and name H2*) 3.500 1.700 0.700
assi (resi 68  and name H6) (resi 67  and name H2*) 2.000 0.200 0.500
assi (resi 68  and name H6) (resi 67  and name H3*) 3.500 1.700 0.700
assi (resi 68  and name H5) (resi 67  and name H3*) 3.500 1.700 0.700
assi (resi 68  and name H5) (resi 67  and name H5) 4.000 2.200 0.800
assi (resi 68  and name H5) (resi 67  and name H6) 4.000 2.250 0.800 
assi (resi 68  and name H6) (resi 67  and name H6) 5.000 3.000 1.000 
assi (resi 68  and name H6) (resi 67  and name H5) 4.500 2.800 0.900

!residue 69 intranucleotide
assi (resi 69  and name H6) (resi 69  and name H2*) 4.000 2.200 0.800
assi (resi 69  and name H6) (resi 69  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 69  and name H1*) (resi 69  and name H2*) 3.00 1.200 0.600

!residue 69 internucleotide
assi (resi 69  and name H1*) (resi 68  and name H1*) 5.900 3.000 1.000 
assi (resi 69  and name H1*) (resi 68  and name H2*) 4.500 2.800 0.900 
assi (resi 69  and name H6) (resi 68  and name H1*) 4.500 2.800 0.900
assi (resi 69  and name H5) (resi 68  and name H1*) 5.000 3.000 1.000  
assi (resi 69  and name H6) (resi 68  and name H2*) 2.000 0.200 0.500
assi (resi 69  and name H5) (resi 68  and name H5) 4.000 2.200 0.800
assi (resi 69  and name H5) (resi 68  and name H6) 4.000 2.250 0.800 
assi (resi 69  and name H2*) (resi 68  and name H2*) 4.000 2.200 0.800 

!residue 70 intranucleotide
assi (resi 70  and name H8) (resi 70  and name H2*) 4.500 2.800 0.900 
assi (resi 70  and name H8) (resi 70  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 70  and name H1*) (resi  70 and name H2*) 3.00 1.200 0.600

!residue 70 internulceotide
assi (resi  70 and name H8) (resi  69 and name H2*) 2.000 0.200 0.500
assi (resi  70 and name H8) (resi  69 and name H6) 5.000 3.200 1.000 
assi (resi  70 and name H8) (resi  69 and name H1*) 4.50 2.700 0.900 
assi (resi  70 and name H1*) (resi 69  and name H2*) 4.50 2.700 0.900 
assi (resi  70 and name H1*) (resi 69  and name H1*) 6.000 3.000 1.000
assi (resi  70 and name H1*) (resi 69  and name H5) 6.000 3.000 1.000

!residue 71 intranucleotide
assi (resi 71  and name H8) (resi 71  and name H2*) 4.500 2.800 0.900 
assi (resi 71  and name H8) (resi 71  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 71  and name H1*) (resi 71  and name H2*) 3.00 1.200 0.600
assi (resi 71  and name H1*) (resi 71  and name H3*) 4.00 2.200 0.800 
assi (resi 71  and name H1*) (resi 71  and name H4*) 3.50 1.700 0.700
assi (resi 71  and name H1*) (resi 71  and name H5**) 6.00 3.000 1.000

!residue 71 internucleotide
assi (resi 71  and name H8) (resi  70 and name H2*) 2.000 0.200 0.500
assi (resi 71  and name H8) (resi  70 and name H8) 5.000 3.200 1.000 
assi (resi 71  and name H8) (resi  70 and name H1*) 4.50 2.700 0.900 

!residue 72 intranucleotide
assi (resi 72  and name H5) (resi 72  and name H2*) 6.000 3.000 1.000 
assi (resi 72  and name H6) (resi 72  and name H1*) 4.000 2.200 0.800
assi (resi 72  and name H5) (resi 72  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 72  and name H1*) (resi  72 and name H2*) 3.00 1.200 0.600

!residue 72 internucleotide
assi (resi 72  and name H6) (resi  71 and name H1*) 4.500 2.700 0.900 
assi (resi 72  and name H5) (resi  71 and name H1*) 5.000 3.700 1.000  
assi (resi 72  and name H5) (resi  71 and name H2*) 3.500 1.800 0.700
assi (resi 72  and name H6) (resi  71 and name H2*) 2.000 0.200 0.500
assi (resi 72  and name H5) (resi  71 and name H8) 4.00 2.200 0.800
assi (resi 72  and name H6) (resi  71 and name H8) 5.000  3.000 1.000 
assi (resi 72  and name H1*) (resi 71  and name H2*) 4.500 2.800 0.900 
assi (resi 72  and name H1*) (resi 71  and name H1*) 6.000 3.000 1.000 

!residue 73 intranucleotide
assi (resi 73  and name H5) (resi 73  and name H2*) 6.000 3.000 1.000 
assi (resi 73  and name H6) (resi 73  and name H2*) 4.000 2.200 0.800
assi (resi 73  and name H6) (resi 73  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 73  and name H1*) (resi 73  and name H2*) 3.00 1.200 0.600

!residue 73 internucleotide
assi (resi 73  and name H1*) (resi 72  and name H1*) 5.900 3.000 1.000 
assi (resi 73  and name H1*) (resi 72  and name H2*) 4.500 2.800 0.900 
assi (resi 73  and name H6) (resi  72 and name H1*) 4.500 2.800 0.900
assi (resi 73  and name H5) (resi  72 and name H1*) 5.000 3.000 1.000  
assi (resi  73 and name H6) (resi 72  and name H2*) 2.000 0.200 0.500
assi (resi  73 and name H5) (resi  72 and name H5) 4.000 2.200 0.800
assi (resi  73 and name H5) (resi 72  and name H6) 4.000 2.250 0.800 
assi (resi  73 and name H6) (resi 72  and name H6) 5.000 3.000 1.000 
assi (resi 73  and name H1*) (resi 56  and name H2) 5.000 3.000 1.000 

!residue 74 intranucleotide
assi (resi 74  and name H5) (resi 74  and name H2*) 6.000 3.000 1.000 
assi (resi 74  and name H6) (resi 74  and name H2*) 4.000 2.200 0.800
assi (resi 74  and name H6) (resi 74  and name H1*) 4.000 2.200 0.800
assi (resi 74  and name H5) (resi 74  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 74  and name H1*) (resi 74  and name H2*) 3.00 1.200 0.600

!residue 74 internucleotide
assi (resi 74  and name H1*) (resi 73  and name H1*) 5.900 3.000 1.000 
assi (resi 74  and name H1*) (resi 73  and name H2*) 4.500 2.800 0.900 
assi (resi 74  and name H6) (resi 73  and name H1*) 4.500 2.800 0.900
assi (resi 74  and name H5) (resi 73  and name H1*) 5.000 3.000 1.000  
assi (resi 74  and name H6) (resi 73  and name H2*) 2.000 0.200 0.500
assi (resi 74  and name H5) (resi 73  and name H6) 4.000 2.250 0.800 
assi (resi 74  and name H6) (resi 73  and name H6) 5.000 3.000 1.000 
assi (resi 74  and name H6) (resi 73  and name H5) 5.000 3.000 1.000 

!residue 75 intranucleotide
assi (resi 75  and name H5) (resi 75  and name H2*) 6.000 3.000 1.000 
assi (resi 75  and name H6) (resi 75  and name H2*) 4.000 2.200 0.800
assi (resi 75  and name H6) (resi 75  and name H1*) 4.000 2.200 0.800
assi (resi 75  and name H5) (resi 75  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 75  and name H1*) (resi 75  and name H2*) 3.00 1.200 0.600

!residue 75 internucleotide
assi (resi 75  and name H1*) (resi 74  and name H1*) 5.900 3.000 1.000 
assi (resi 75  and name H1*) (resi 74  and name H2*) 4.500 2.800 0.900 
assi (resi 75  and name H6) (resi 74  and name H1*) 4.500 2.800 0.900
assi (resi 75  and name H5) (resi 74  and name H1*) 5.000 3.000 1.000  
assi (resi 75  and name H5) (resi 74  and name H2*) 3.500 1.700 0.700
assi (resi 75  and name H6) (resi 74  and name H2*) 2.000 0.200 0.500
assi (resi 75  and name H5) (resi 74  and name H5) 4.000 2.200 0.800
assi (resi 75  and name H5) (resi 74  and name H6) 4.000 2.250 0.800 
assi (resi 75  and name H6) (resi 74  and name H6) 5.000 3.000 1.000 

!residue 76 intranucleotide
assi (resi 76  and name H5) (resi 76  and name H2*) 6.000 3.000 1.000 
assi (resi 76  and name H6) (resi 76  and name H2*) 4.000 2.200 0.800
assi (resi 76  and name H6) (resi 76  and name H1*) 4.000 2.200 0.800
assi (resi 76  and name H5) (resi 76  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 76  and name H1*) (resi 76  and name H2*) 3.00 1.200 0.600

!residue 76 internucleotide
assi (resi 76  and name H1*) (resi 75  and name H1*) 5.900 3.000 1.000 
assi (resi 76  and name H1*) (resi 75  and name H2*) 4.500 2.800 0.900 
assi (resi 76  and name H6) (resi 75  and name H1*) 4.500 2.800 0.900
assi (resi 76  and name H5) (resi 75  and name H1*) 5.000 3.000 1.000  
assi (resi 76  and name H5) (resi 75  and name H2*) 3.500 1.700 0.700
assi (resi 76  and name H6) (resi 75  and name H2*) 2.000 0.200 0.500
assi (resi 76  and name H5) (resi 75  and name H5) 4.000 2.200 0.800
assi (resi 76  and name H5) (resi 75  and name H6) 4.000 2.250 0.800 
assi (resi 76  and name H6) (resi 75  and name H6) 5.000 3.000 1.000
assi (resi 76  and name H1*) (resi 53  and name H2) 4.500 2.700 1.000

!residue 77 intranucleotide  3* TETRALOOP RECEPTOR BEGINNING
assi (resi 77  and name H5) (resi 77  and name H2*) 6.000 3.000 1.000 
assi (resi 77  and name H6) (resi 77  and name H2*) 4.000 2.200 0.800
assi (resi 77  and name H6) (resi 77  and name H1*) 4.000 2.200 0.800
assi (resi 77  and name H5) (resi 77  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 77  and name H1*) (resi 77  and name H2*) 3.00 1.200 0.600

!residue 77 internucleotide
assi (resi 77  and name H1*) (resi 76  and name H1*) 5.900 3.000 1.000 
assi (resi 77  and name H1*) (resi 76  and name H2*) 4.500 2.800 0.900 
assi (resi 77  and name H6) (resi 76  and name H1*) 4.500 2.800 0.900
assi (resi 77  and name H5) (resi 76  and name H1*) 5.000 3.000 1.000  
assi (resi 77  and name H5) (resi 76  and name H2*) 3.500 1.700 0.700
assi (resi 77  and name H6) (resi 76  and name H2*) 2.000 0.200 0.500
assi (resi 77  and name H5) (resi 76  and name H5) 4.000 2.200 0.800
assi (resi 77  and name H5) (resi 76  and name H6) 4.000 2.250 0.800 
assi (resi 77  and name H6) (resi 76  and name H6) 5.000 3.000 1.000

!residue 78 intranucleotide
assi (resi 78  and name H6) (resi 78  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 78  and name H1*) (resi 78  and name H2*) 3.00 1.200 0.600

!residue 78 internucleotide
assi (resi 78  and name H6) (resi 77  and name H2*) 2.000 0.200 0.500
assi (resi 78  and name H5) (resi 77  and name H5) 4.000 2.200 0.800
assi (resi 78  and name H5) (resi 77  and name H6) 4.000 2.250 0.800 
assi (resi 78  and name H6) (resi 77  and name H6) 5.000 3.000 1.000

!residue 79 intranucleotide
assi (resi 79  and name H5) (resi 79  and name H2*) 6.000 3.000 1.000 
assi (resi 79  and name H6) (resi 79  and name H2*) 4.000 2.200 0.800
assi (resi 79  and name H6) (resi 79  and name H1*) 4.000 2.200 0.800
assi (resi 79  and name H5) (resi 79  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 79  and name H1*) (resi 79  and name H2*) 3.00 1.200 0.600

!U36 inter
assi (resi 79  and name H2*) (resi 80  and name H8) 3.00 1.200 0.500
assi (resi 79  and name H5) (resi 78  and name H2*) 4.000 2.200 1.000
assi (resi 79  and name H5) (resi 78  and name H6) 5.000 3.200 1.000
assi (resi 79  and name H6) (resi 78  and name H6) 5.000 3.200 1.000
assi (resi 79  and name H6) (resi 80  and name H8) 5.000 3.200 1.000
assi (resi 79  and name H5) (resi 78  and name H5) 4.000 2.200 1.000
assi (resi 78  and name H1*) (resi 79  and name H6) 5.000 3.000 1.000
assi (resi 78  and name H2*) (resi 79  and name H6) 2.500 0.700 0.500

!residue 80 intranucleotide
assi (resi 80  and name H8) (resi 80  and name H2*) 4.500 2.800 0.900 
assi (resi 80  and name H8) (resi 80  and name H3*) 3.500 1.700 0.700
assi (resi 80  and name H8) (resi 80  and name H1*) 4.000 2.200 0.800
assi (resi 80  and name H2) (resi 80  and name H1*) 5.000 3.200 0.800

!intranucleotide sugar noes
assi (resi 80  and name H1*) (resi 80  and name H2*) 3.00 1.200 0.600
assi (resi 80  and name H1*) (resi 80  and name H3*) 4.00 2.200 0.800 
assi (resi 80  and name H3*) (resi 80  and name H2*) 5.000 3.200 0.800
!A37 inter
assi (resi 80  and name H1*) (resi 81  and name H8) 3.00 1.200 0.500
assi (resi 80  and name H2) (resi 49 and name H1*) 5.000 3.200 0.800
assi (resi 80  and name H2) (resi 49 and name H8) 5.000 3.200 0.800
assi (resi 80  and name H2) (resi 48 and name H6) 6.000 3.200 0.800
assi (resi 80  and name H2) (resi 49 and name H2) 5.000 3.200 0.800

!residue 81 intranucleotide
assi (resi 81  and name H8) (resi 81  and name H2*) 4.500 2.800 0.900 
assi (resi 81  and name H8) (resi 81  and name H1*) 4.000 2.200 0.800
assi (resi 81  and name H2) (resi 81  and name H1*) 5.000 3.200 0.800
!intranucleotide sugar noes
assi (resi 81  and name H1*) (resi 81  and name H2*) 3.00 1.200 0.600

!A38 inter
assi (resi 81  and name H2) (resi 82  and name H1*) 4.500 2.700 0.800
assi (resi 81  and name H8) (resi 82  and name H8) 4.500 2.800 0.900

!residue 82 intranucleotide  END 3* TETRALOOP RECEPTOR
assi (resi 82  and name H8) (resi 82  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 82  and name H1*) (resi 82  and name H2*) 3.00 1.200 0.600

!G39 inter
assi (resi 82  and name H1*) (resi 81  and name H1*) 5.00 3.200 1.000
assi (resi 82  and name H8) (resi 81  and name H1*) 4.500 2.700 0.900
assi (resi 82  and name H8) (resi 81  and name H2*) 4.00 2.200 0.800
assi (resi 82  and name H8) (resi 81  and name H2) 5.000 3.200 1.000

!residue 83 intranucleotide
assi (resi 83  and name H5) (resi 83  and name H2*) 6.000 3.000 1.000 
assi (resi 83  and name H6) (resi 83  and name H2*) 4.000 2.200 0.800
assi (resi 83  and name H6) (resi 83  and name H1*) 4.000 2.200 0.800
assi (resi 83  and name H5) (resi 83  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 83  and name H1*) (resi 83  and name H2*) 3.00 1.200 0.600

!residue 83 internucleotide
assi (resi 83  and name H6) (resi 82  and name H1*) 4.500 2.700 0.900 
assi (resi 83  and name H5) (resi 82  and name H1*) 5.000 3.700 1.000  
assi (resi 83  and name H6) (resi 82  and name H2*) 2.500 0.700 0.400
assi (resi 83  and name H5) (resi 82  and name H8) 4.00 2.200 0.800
assi (resi 83  and name H6) (resi 82  and name H8) 5.000  3.000 1.000 
assi (resi 83  and name H1*) (resi 82  and name H2*) 4.500 2.800 0.900 
assi (resi 83  and name H1*) (resi 82  and name H1*) 6.000 3.000 1.000 

!residue 84 intranucleotide
assi (resi 84  and name H6) (resi 84  and name H2*) 4.000 2.200 0.800
assi (resi 84  and name H6) (resi 84  and name H1*) 4.000 2.200 0.800

!intranucleotide sugar noes
assi (resi 84  and name H1*) (resi 84  and name H2*) 3.00 1.200 0.600

!residue 84 internucleotide
assi (resi 84  and name H1*) (resi 83  and name H1*) 5.900 3.000 1.000 
assi (resi 84  and name H6) (resi  83 and name H1*) 4.500 2.800 0.900
assi (resi 84  and name H5) (resi  83 and name H1*) 5.000 3.000 1.000  
assi (resi 84  and name H6) (resi  83 and name H2*) 2.000 0.200 0.500
assi (resi 84  and name H5) (resi  83 and name H5) 4.000 2.200 0.800
assi (resi 84  and name H5) (resi  83 and name H6) 4.000 2.250 0.800 
assi (resi 84  and name H6) (resi  83 and name H6) 5.000 3.000 1.000 

!residue 85 intranucleotide
assi (resi 85  and name H5) (resi 85  and name H2*) 6.000 3.000 1.000 
assi (resi 85  and name H6) (resi 85  and name H2*) 4.000 2.200 0.800
assi (resi 85  and name H6) (resi 85  and name H1*) 4.000 2.200 0.800
assi (resi 85  and name H5) (resi 85  and name H1*) 6.000 3.000 1.000

!intranucleotide sugar noes
assi (resi 85  and name H1*) (resi 85  and name H2*) 3.00 1.200 0.600

!residue 85 internucleotide
assi (resi 85  and name H1*) (resi 84  and name H1*) 5.900 3.000 1.000 
assi (resi 85  and name H1*) (resi 84  and name H2*) 4.500 2.800 0.900 
assi (resi 85  and name H6) (resi  84 and name H1*) 4.500 2.800 0.900
assi (resi 85  and name H5) (resi  84 and name H1*) 5.000 3.000 1.000  
assi (resi 85  and name H5) (resi  84 and name H2*) 3.500 1.700 0.700
assi (resi 85  and name H6) (resi  84 and name H2*) 2.000 0.200 0.500
assi (resi 85  and name H5) (resi  84 and name H6) 4.000 2.250 0.800 
assi (resi 85  and name H6) (resi  84 and name H6) 5.000 3.000 1.000 

!residue 86 intranucleotide
assi (resi 86  and name H5) (resi 86  and name H2*) 6.000 3.000 1.000 
assi (resi 86  and name H6) (resi 86  and name H2*) 4.000 2.200 0.800
assi (resi 86  and name H6) (resi 86  and name H1*) 4.000 2.200 0.800
assi (resi 86  and name H5) (resi 86  and name H1*) 6.000 3.000 1.000
!intranucleotide sugar noes
assi (resi 86  and name H1*) (resi 86  and name H2*) 3.00 1.200 0.600
assi (resi 86  and name H1*) (resi 86  and name H3*) 4.00 2.200 0.800 

!residue 86 internucleotide
assi (resi 86  and name H1*) (resi 85  and name H1*) 5.900 3.000 1.000 
assi (resi 86  and name H6) (resi  85 and name H1*) 4.500 2.800 0.900
assi (resi 86  and name H5) (resi  85 and name H1*) 5.000 3.000 1.000  
assi (resi 86  and name H5) (resi  85 and name H2*) 3.500 1.700 0.700
assi (resi 86  and name H6) (resi  85 and name H2*) 2.000 0.200 0.500
assi (resi 86  and name H5) (resi  85 and name H5) 4.000 2.200 0.800
assi (resi 86  and name H5) (resi  85 and name H6) 4.000 2.250 0.800 
assi (resi 86  and name H6) (resi  85 and name H6) 5.000 3.000 1.000 


!Intermolecular NOEs molecule A

!residue 21
assi (resi 21  and name H2) (resi  81 and name H8) 4.000 2.200 0.800
assi (resi 21  and name H2) (resi  80 and name H1*) 3.000 1.200 0.500
assi (resi 21  and name H2) (resi  80 and name H2*) 5.000 3.200 0.500
assi (resi 21  and name H8) (resi  81 and name H1*) 4.000 2.200 0.800
assi (resi 21  and name H1*) (resi  81 and name H1*) 5.000 3.200 0.900
assi (resi 21  and name H1*) (resi  81 and name H8) 5.000 3.200 0.900
assi (resi 21  and name H2) (resi  80 and name H8) 5.000 3.200 0.900
assi (resi 21  and name H2) (resi  80 and name H3*) 5.000 3.200 0.900
assi (resi 21  and name H2) (resi  79 and name H2*) 4.000 2.200 0.800

!residue 22
assi (resi 22  and name H2) (resi  79 and name H1*) 4.000 2.200 0.800
assi (resi 22  and name H2) (resi  51 and name H1*) 4.000 2.200 0.800
assi (resi 22  and name H2) (resi  51 and name H2*) 5.000 3.200 0.800

!residue 23
assi (resi 23  and name H2) (resi  52 and name H1*) 4.000 2.200 0.800
assi (resi 23  and name H2) (resi  51 and name H1*) 4.000 2.200 0.800
assi (resi 23  and name H2) (resi  52 and name H2*) 4.000 2.200 0.800
assi (resi 23  and name H2) (resi  51 and name H8) 5.000 3.200 0.900
assi (resi 23  and name H2) (resi  52 and name H8) 4.000 2.200 0.800
assi (resi 23  and name H1*) (resi  79 and name H1*) 3.000 1.200 0.800

!residue 24
assi (resi 24  and name H1*) (resi  52 and name H1*) 6.000 3.200 0.900

!Intermolecular NOEs molecule B

!residue 64
assi (resi 64  and name H2) (resi  38 and name H8) 4.000 2.200 0.800
assi (resi 64  and name H2) (resi  37 and name H1*) 3.000 1.200 0.500
assi (resi 64  and name H2) (resi  37 and name H2*) 5.000 3.200 0.500
assi (resi 64  and name H8) (resi  38 and name H1*) 4.000 2.200 0.800
assi (resi 64  and name H1*) (resi  38 and name H1*) 5.000 3.200 0.900
assi (resi 64  and name H1*) (resi  38 and name H8) 5.000 3.200 0.900
assi (resi 64  and name H2) (resi  37 and name H8) 5.000 3.200 0.900
assi (resi 64  and name H2) (resi  37 and name H3*) 5.000 3.200 0.900
assi (resi 64  and name H2) (resi  36 and name H2*) 4.000 2.200 0.800

!residue 65
assi (resi 65  and name H2) (resi  36 and name H1*) 4.000 2.200 0.800
assi (resi 65  and name H2) (resi   8 and name H1*) 4.000 2.200 0.800
assi (resi 65  and name H2) (resi   8 and name H2*) 5.000 3.200 0.800

!residue 66
assi (resi 66  and name H2) (resi   9 and name H1*) 4.000 2.200 0.800
assi (resi 66  and name H2) (resi   8 and name H1*) 4.000 2.200 0.800
assi (resi 66  and name H2) (resi   9 and name H2*) 4.000 2.200 0.800
assi (resi 66  and name H2) (resi   8 and name H8) 5.000 3.200 0.900
assi (resi 66  and name H2) (resi   9 and name H8) 4.000 2.200 0.800
assi (resi 66  and name H1*) (resi  36 and name H1*) 3.000 1.200 0.800

!residue 67
assi (resi 67  and name H1*) (resi   9 and name H1*) 6.000 3.200 0.900

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!exchangeable NOEs
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!

!residue 1
assi (resi 1  and name H1) (resi  2 and name H1*) 5.000 3.200 0.900
assi (resi 1  and name H1) (resi  2 and name H1) 5.000 3.200 0.900
assi (resi 1  and name H1) (resi  43 and name H2*) 5.000 3.200 0.900
assi (resi 1  and name H1) (resi  43 and name H1*) 5.000 3.200 0.900

!residue 2
assi (resi 2  and name H1) (resi  3 and name H1*) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  3 and name H1) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  42 and name H5) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  42 and name H2*) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  43 and name H1*) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  43 and name H5) 5.000 3.200 0.900
assi (resi 2  and name H1) (resi  42 and name H41) 2.500 0.700 0.900
assi (resi 2  and name H1) (resi  42 and name H42) 4.000 2.200 0.900
assi (resi 2  and name H1) (resi  43 and name H2*) 5.000 3.200 0.900

!residue 3
assi (resi 3  and name H1) (resi  4 and name H2) 5.000 3.200 0.900
assi (resi 3  and name H1) (resi  41 and name H2*) 5.000 3.200 0.900
assi (resi 3  and name H1) (resi  41 and name H5) 5.000 3.200 0.900
assi (resi 3  and name H1) (resi  42 and name H5) 5.000 3.200 0.900
assi (resi 3  and name H1) (resi  41 and name H41) 2.500 0.700 0.900
assi (resi 3  and name H1) (resi  41 and name H42) 4.000 2.200 0.900

!residue 5
assi (resi 5  and name H3) (resi  4 and name H2) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  5 and name H2*) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  5 and name H1*) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  5 and name H6) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  5 and name H5) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  37 and name H1*) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  37 and name H2) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  39 and name H1) 4.000 2.200 0.900
assi (resi 5  and name H3) (resi  40 and name H3) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  4 and name H61) 3.200 1.400 0.900
assi (resi 5  and name H3) (resi  4 and name H62) 5.000 3.200 0.900
assi (resi 5  and name H3) (resi  4 and name H8) 5.000 3.200 0.900


!residue 7

!residue 8
assi (resi 8  and name H1) (resi  9 and name H1*) 5.000 3.200 0.900
assi (resi 8  and name H1) (resi  9 and name H1) 5.000 3.200 0.900
assi (resi 8  and name H1) (resi  35 and name H2*) 5.000 3.200 0.900
assi (resi 8  and name H1) (resi  8 and name H21) 2.400 0.600 0.900
assi (resi 8  and name H1) (resi  8 and name H21) 3.500 1.700 0.900
assi (resi 8  and name H1) (resi  35 and name H41) 2.500 0.700 0.900
assi (resi 8  and name H1) (resi  35 and name H42) 4.000 2.200 0.900

!residue 9
assi (resi 9  and name H1) (resi  10 and name H2) 5.000 3.200 0.900
assi (resi 9  and name H1) (resi  34 and name H2*) 5.000 3.200 0.900
assi (resi 9  and name H1) (resi  35 and name H6) 5.000 3.200 0.900
assi (resi 9  and name H1) (resi  9 and name H21) 2.400 0.600 0.900
assi (resi 9  and name H1) (resi  10 and name H61) 4.500 2.700 0.900
assi (resi 9  and name H1) (resi  10 and name H62) 4.500 2.700 0.900
assi (resi 9  and name H1) (resi  34 and name H41) 2.500 0.700 0.900
assi (resi 9  and name H1) (resi  34 and name H42) 4.000 2.200 0.900
assi (resi 9  and name H1) (resi  35 and name H42) 4.500 2.700 0.900

!residue 12
assi (resi 12  and name H1) (resi  31 and name H2*) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  31 and name H5) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  32 and name H5) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  11 and name H2) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  11 and name H62) 4.000 2.200 0.900
assi (resi 12  and name H1) (resi  12 and name H21) 2.400 0.600 0.900
assi (resi 12  and name H1) (resi  12 and name H22) 3.500 1.700 0.900
assi (resi 12  and name H1) (resi  13 and name H1*) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  13 and name H2) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  31 and name H41) 2.500 0.700 0.900
assi (resi 12  and name H1) (resi  31 and name H42) 4.000 2.200 0.900
assi (resi 12  and name H1) (resi  32 and name H1*) 5.000 3.200 0.900
assi (resi 12  and name H1) (resi  12 and name H2*) 5.000 3.200 0.900

!residue 17
assi (resi 17  and name H1) (resi  18 and name H8) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  18 and name H1) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  26 and name H2*) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  27 and name H8) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  25 and name H3) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  26 and name H2*) 5.000 3.200 0.900
assi (resi 17  and name H1) (resi  27 and name H2*) 5.000 3.200 0.900


!residue 18
assi (resi 18  and name H1) (resi  19 and name H1*) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  19 and name H1) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  25 and name H2*) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  25 and name H1*) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  26 and name H1*) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  26 and name H6) 5.000 3.200 0.900
assi (resi 18  and name H1) (resi  24 and name H41) 4.500 2.800 0.900

!residue 19
assi (resi 19  and name H1) (resi  20 and name H1*) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  20 and name H1) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  24 and name H2*) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  24 and name H5) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  25 and name H1*) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  19 and name H21) 2.400 0.600 0.900
assi (resi 19  and name H1) (resi  19 and name H22) 3.500 1.700 0.900
assi (resi 19  and name H1) (resi  24 and name H1*) 5.000 3.200 0.900
assi (resi 19  and name H1) (resi  24 and name H41) 2.500 0.700 0.900
assi (resi 19  and name H1) (resi  24 and name H42) 4.000 2.200 0.900

!residue 20
assi (resi 20  and name H1) (resi  24 and name H5) 5.000 3.200 0.900
assi (resi 20  and name H1) (resi  20 and name H21) 2.400 0.600 0.900
assi (resi 20  and name H1) (resi  20 and name H22) 3.500 1.700 0.900
assi (resi 20  and name H1) (resi  24 and name H41) 4.500 2.800 0.900
assi (resi 20  and name H1) (resi  24 and name H42) 4.500 2.800 0.900
assi (resi 20  and name H21) (resi  24 and name H5) 5.000 3.200 0.900

!residue 24
assi (resi 24  and name H41) (resi  24 and name H5) 5.000 3.200 0.900
assi (resi 24  and name H42) (resi  24 and name H5) 5.000 3.200 0.900

!residue 25
assi (resi 25  and name H3) (resi  18 and name H1) 4.000 2.200 0.900
assi (resi 25  and name H3) (resi  19 and name H1) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  25 and name H2*) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  25 and name H1*) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  25 and name H5) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  25 and name H6) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  26 and name H6) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  26 and name H5) 5.000 3.200 0.900
assi (resi 25  and name H3) (resi  26 and name H3) 4.000 2.200 0.900
assi (resi 25  and name H3) (resi  24 and name H41) 4.500 2.800 0.900
assi (resi 25  and name H3) (resi  24 and name H42) 4.500 2.800 0.900

!residue 26
assi (resi 26  and name H3) (resi  17 and name H1) 4.000 2.200 0.900
assi (resi 26  and name H3) (resi  18 and name H1) 5.000 3.200 0.900
assi (resi 26  and name H3) (resi  26 and name H2*) 5.000 3.200 0.900
assi (resi 26  and name H3) (resi  26 and name H6) 5.000 3.200 0.900
assi (resi 26  and name H3) (resi  27 and name H8) 5.000 3.200 0.900
assi (resi 26  and name H3) (resi  27 and name H1) 5.000 3.200 0.900

!residue 27
assi (resi 27  and name H1) (resi  17 and name H8) 5.000 3.200 0.900
assi (resi 27  and name H1) (resi  28 and name H1) 5.000 3.200 0.900
assi (resi 27  and name H1) (resi  16 and name H41) 2.500 0.700 0.900
assi (resi 27  and name H1) (resi  16 and name H42) 4.000 2.200 0.900

!residue 28
assi (resi 28  and name H1) (resi  29 and name H5) 5.000 3.200 0.900
assi (resi 28  and name H1) (resi  14 and name H2) 5.000 3.200 0.900
assi (resi 28  and name H1) (resi  15 and name H41) 2.500 0.700 0.900
assi (resi 28  and name H1) (resi  15 and name H42) 4.000 2.200 0.900
assi (resi 28  and name H1) (resi  28 and name H21) 2.400 0.600 0.900
assi (resi 28  and name H1) (resi  28 and name H22) 3.500 1.700 0.900

!residue 29
assi (resi 29  and name H3) (resi  28 and name H1) 4.000 2.200 0.900
assi (resi 29  and name H3) (resi  29 and name H2*) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  29 and name H1*) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  29 and name H6) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  30 and name H5) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  13 and name H2) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  13 and name H61) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  14 and name H2) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  14 and name H61) 2.500 0.700 0.900
assi (resi 29  and name H3) (resi  14 and name H62) 4.000 2.200 0.900
assi (resi 29  and name H3) (resi  15 and name H42) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  30 and name H1*) 5.000 3.200 0.900
assi (resi 29  and name H3) (resi  30 and name H3) 5.000 3.200 0.900

!residue 30 
assi (resi 30  and name H3) (resi  12 and name H1) 5.000 3.200 0.900
assi (resi 30  and name H3) (resi  30 and name H2*) 5.000 3.200 0.900
assi (resi 30  and name H3) (resi  30 and name H1*) 4.000 2.200 0.900
assi (resi 30  and name H3) (resi  31 and name H1*) 4.000 2.200 0.900
assi (resi 30  and name H3) (resi  13 and name H2) 5.000 3.200 0.900
assi (resi 30  and name H3) (resi  13 and name H61) 2.400 0.600 0.900
assi (resi 30  and name H3) (resi  13 and name H62) 3.500 1.700 0.900
assi (resi 30  and name H3) (resi  14 and name H2) 5.000 3.200 0.900
assi (resi 30  and name H3) (resi  31 and name H41) 4.000 2.200 0.900
assi (resi 30  and name H3) (resi  31 and name H42) 5.000 3.200 0.900

!residue 32
assi (resi 32  and name H3) (resi  11 and name H2) 5.000 3.200 0.900
assi (resi 32  and name H3) (resi  12 and name H1) 5.000 3.200 0.900
assi (resi 32  and name H3) (resi  32 and name H2*) 5.000 3.200 0.900
assi (resi 32  and name H3) (resi  32 and name H1*) 4.000 2.200 0.900
assi (resi 32  and name H3) (resi  33 and name H3) 5.000 3.200 0.900
assi (resi 32  and name H3) (resi  11 and name H61) 2.400 0.600 0.900
assi (resi 32  and name H3) (resi  11 and name H62) 3.500 1.700 0.900

!residue 33
assi (resi 33  and name H3) (resi  9 and name H1) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  10 and name H2) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  11 and name H2) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  33 and name H2*) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  33 and name H1*) 4.000 2.200 0.900
assi (resi 33  and name H3) (resi  33 and name H5) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  34 and name H1*) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  34 and name H5) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  10 and name H61) 2.400 0.600 0.900
assi (resi 33  and name H3) (resi  10 and name H62) 3.500 1.700 0.900
assi (resi 33  and name H3) (resi  11 and name H1*) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  11 and name H61) 5.000 3.200 0.900
assi (resi 33  and name H3) (resi  34 and name H41) 4.500 2.800 0.900

!residue 36
assi (resi 36  and name H3) (resi  6 and name H8) 5.000 3.200 0.900
assi (resi 36  and name H3) (resi  8 and name H1) 5.000 3.200 0.900
assi (resi 36  and name H3) (resi  6  and name H61) 5.000 3.200 0.900
assi (resi 36  and name H3) (resi  6  and name H62) 3.000 1.200 0.900
assi (resi 36  and name H3) (resi  8  and name H21) 5.000 3.200 0.900
assi (resi 36  and name H3) (resi  37 and name H1*) 5.000 3.200 0.900

!residue 39
assi (resi 39  and name H1) (resi  4 and name H2) 5.000 3.200 0.900
assi (resi 39  and name H1) (resi  5 and name H2*) 5.000 3.200 0.900
assi (resi 39  and name H1) (resi  5 and name H1*) 5.000 3.200 0.900
assi (resi 39  and name H1) (resi  37 and name H2) 5.000 3.200 0.900
assi (resi 39  and name H1) (resi  40 and name H1*) 5.000 3.200 0.900
assi (resi 39  and name H1) (resi  4  and name H62) 5.000 3.200 0.900

!residue 40
assi (resi 40  and name H3) (resi  3 and name H1) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  4 and name H2) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  39 and name H1) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  40 and name H2*) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  40 and name H1*) 4.000 2.200 0.900
assi (resi 40  and name H3) (resi  40 and name H6) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  4 and name H61) 2.400 0.600 0.900
assi (resi 40  and name H3) (resi  4 and name H62) 4.000 2.200 0.900
assi (resi 40  and name H3) (resi  5  and name H1*) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  41 and name H1*) 5.000 3.200 0.900
assi (resi 40  and name H3) (resi  41 and name H41) 4.500 2.800 0.900
assi (resi 40  and name H3) (resi  41 and name H42) 4.500 2.800 0.900


!residue 43
assi (resi 43  and name H3) (resi  1 and name H1) 5.000 3.200 0.900
assi (resi 43  and name H3) (resi  2 and name H1) 5.000 3.200 0.900
assi (resi 43  and name H3) (resi  43 and name H2*) 5.000 3.200 0.900
assi (resi 43  and name H3) (resi  43 and name H1*) 4.000 2.200 0.900
assi (resi 43  and name H3) (resi  43 and name H6) 5.000 3.200 0.900
assi (resi 43  and name H3) (resi  2 and name H1*) 5.000 3.200 0.900
assi (resi 43  and name H3) (resi  42 and name H41) 4.500 2.800 0.900
assi (resi 43  and name H3) (resi  42 and name H42) 4.500 2.800 0.900

! molucule B

!residue 44
assi (resi 44  and name H1) (resi  45 and name H1*) 5.000 3.200 0.900
assi (resi 44  and name H1) (resi  45 and name H1) 5.000 3.200 0.900
assi (resi 44  and name H1) (resi  86 and name H2*) 5.000 3.200 0.900
assi (resi 44  and name H1) (resi  86 and name H1*) 5.000 3.200 0.900

!residue 45
assi (resi 45  and name H1) (resi  46 and name H1*) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  46 and name H1) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  85 and name H5) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  85 and name H2*) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  86 and name H1*) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  86 and name H5) 5.000 3.200 0.900
assi (resi 45  and name H1) (resi  85 and name H41) 2.500 0.700 0.900
assi (resi 45  and name H1) (resi  85 and name H42) 4.000 2.200 0.900
assi (resi 45  and name H1) (resi  86 and name H2*) 5.000 3.200 0.900

!residue 46
assi (resi 46  and name H1) (resi  47 and name H2) 5.000 3.200 0.900
assi (resi 46  and name H1) (resi  84 and name H2*) 5.000 3.200 0.900
assi (resi 46  and name H1) (resi  84 and name H5) 5.000 3.200 0.900
assi (resi 46  and name H1) (resi  85 and name H5) 5.000 3.200 0.900
assi (resi 46  and name H1) (resi  84 and name H41) 2.500 0.700 0.900
assi (resi 46  and name H1) (resi  84 and name H42) 4.000 2.200 0.900

!residue 48
assi (resi 48  and name H3) (resi  47 and name H2) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  48 and name H2*) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  48 and name H1*) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  48 and name H6) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  48 and name H5) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  80 and name H1*) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  80 and name H2) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  82 and name H1) 4.000 2.200 0.900
assi (resi 48  and name H3) (resi  83 and name H3) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  47 and name H61) 3.200 1.400 0.900
assi (resi 48  and name H3) (resi  47 and name H62) 5.000 3.200 0.900
assi (resi 48  and name H3) (resi  47 and name H8) 5.000 3.200 0.900


!residue 50

!residue 51
assi (resi 51  and name H1) (resi  52 and name H1*) 5.000 3.200 0.900
assi (resi 51  and name H1) (resi  52 and name H1) 5.000 3.200 0.900
assi (resi 51  and name H1) (resi  78 and name H2*) 5.000 3.200 0.900
assi (resi 51  and name H1) (resi  51 and name H21) 2.400 0.600 0.900
assi (resi 51  and name H1) (resi  51 and name H21) 3.500 1.700 0.900
assi (resi 51  and name H1) (resi  78 and name H41) 2.500 0.700 0.900
assi (resi 51  and name H1) (resi  78 and name H42) 4.000 2.200 0.900

!residue 51
assi (resi 52  and name H1) (resi  53 and name H2) 5.000 3.200 0.900
assi (resi 52  and name H1) (resi  77 and name H2*) 5.000 3.200 0.900
assi (resi 52  and name H1) (resi  78 and name H6) 5.000 3.200 0.900
assi (resi 52  and name H1) (resi  52 and name H21) 2.400 0.600 0.900
assi (resi 52  and name H1) (resi  53 and name H61) 4.500 2.700 0.900
assi (resi 52  and name H1) (resi  53 and name H62) 4.500 2.700 0.900
assi (resi 52  and name H1) (resi  77 and name H41) 2.500 0.700 0.900
assi (resi 52  and name H1) (resi  77 and name H42) 4.000 2.200 0.900
assi (resi 52  and name H1) (resi  78 and name H42) 4.500 2.700 0.900

!residue 55
assi (resi 55  and name H1) (resi  74 and name H2*) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  74 and name H5) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  75 and name H5) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  54 and name H2) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  54 and name H62) 4.000 2.200 0.900
assi (resi 55  and name H1) (resi  55 and name H21) 2.400 0.600 0.900
assi (resi 55  and name H1) (resi  55 and name H22) 3.500 1.700 0.900
assi (resi 55  and name H1) (resi  56 and name H1*) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  56 and name H2) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  74 and name H41) 2.500 0.700 0.900
assi (resi 55  and name H1) (resi  74 and name H42) 4.000 2.200 0.900
assi (resi 55  and name H1) (resi  75 and name H1*) 5.000 3.200 0.900
assi (resi 55  and name H1) (resi  55 and name H2*) 5.000 3.200 0.900

!residue 60
assi (resi 60  and name H1) (resi  61 and name H8) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  61 and name H1) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  69 and name H2*) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  70 and name H8) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  68 and name H3) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  69 and name H2*) 5.000 3.200 0.900
assi (resi 60  and name H1) (resi  70 and name H2*) 5.000 3.200 0.900


!residue 61
assi (resi 61  and name H1) (resi  62 and name H1*) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  62 and name H1) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  68 and name H2*) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  68 and name H1*) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  69 and name H1*) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  69 and name H6) 5.000 3.200 0.900
assi (resi 61  and name H1) (resi  67 and name H41) 4.500 2.800 0.900

!residue 62
assi (resi 62  and name H1) (resi  63 and name H1*) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  63 and name H1) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  67 and name H2*) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  67 and name H5) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  68 and name H1*) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  62 and name H21) 2.400 0.600 0.900
assi (resi 62  and name H1) (resi  62 and name H22) 3.500 1.700 0.900
assi (resi 62  and name H1) (resi  67 and name H1*) 5.000 3.200 0.900
assi (resi 62  and name H1) (resi  67 and name H41) 2.500 0.700 0.900
assi (resi 62  and name H1) (resi  67 and name H42) 4.000 2.200 0.900

!residue  63
assi (resi 63  and name H1) (resi  67 and name H5) 5.000 3.200 0.900
assi (resi 63  and name H1) (resi  63 and name H21) 2.400 0.600 0.900
assi (resi 63  and name H1) (resi  63 and name H22) 3.500 1.700 0.900
assi (resi 63  and name H1) (resi  67 and name H41) 4.500 2.800 0.900
assi (resi 63  and name H1) (resi  67 and name H42) 4.500 2.800 0.900
assi (resi 63  and name H21) (resi  67 and name H5) 5.000 3.200 0.900

!residue 67
assi (resi 67  and name H41) (resi  67 and name H5) 5.000 3.200 0.900
assi (resi 67  and name H42) (resi  67 and name H5) 5.000 3.200 0.900

!residue 68
assi (resi 68  and name H3) (resi  61 and name H1) 4.000 2.200 0.900
assi (resi 68  and name H3) (resi  62 and name H1) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  68 and name H2*) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  68 and name H1*) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  68 and name H5) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  68 and name H6) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  69 and name H6) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  69 and name H5) 5.000 3.200 0.900
assi (resi 68  and name H3) (resi  69 and name H3) 4.000 2.200 0.900
assi (resi 68  and name H3) (resi  67 and name H41) 4.500 2.800 0.900
assi (resi 68  and name H3) (resi  67 and name H42) 4.500 2.800 0.900

!residue 69
assi (resi 69  and name H3) (resi  60 and name H1) 4.000 2.200 0.900
assi (resi 69  and name H3) (resi  61 and name H1) 5.000 3.200 0.900
assi (resi 69  and name H3) (resi  69 and name H2*) 5.000 3.200 0.900
assi (resi 69  and name H3) (resi  69 and name H6) 5.000 3.200 0.900
assi (resi 69  and name H3) (resi  70 and name H8) 5.000 3.200 0.900
assi (resi 69  and name H3) (resi  70 and name H1) 5.000 3.200 0.900

!residue 70
assi (resi 70  and name H1) (resi  60 and name H8) 5.000 3.200 0.900
assi (resi 70  and name H1) (resi  71 and name H1) 5.000 3.200 0.900
assi (resi 70  and name H1) (resi  59 and name H41) 2.500 0.700 0.900
assi (resi 70  and name H1) (resi  59 and name H42) 4.000 2.200 0.900

!residue 71
assi (resi 71  and name H1) (resi  72 and name H5) 5.000 3.200 0.900
assi (resi 71  and name H1) (resi  57 and name H2) 5.000 3.200 0.900
assi (resi 71  and name H1) (resi  58 and name H41) 2.500 0.700 0.900
assi (resi 71  and name H1) (resi  58 and name H42) 4.000 2.200 0.900
assi (resi 71  and name H1) (resi  71 and name H21) 2.400 0.600 0.900
assi (resi 71  and name H1) (resi  71 and name H22) 3.500 1.700 0.900

!residue 72
assi (resi 72  and name H3) (resi  71 and name H1) 4.000 2.200 0.900
assi (resi 72  and name H3) (resi  72 and name H2*) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  72 and name H1*) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  72 and name H6) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  73 and name H5) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  56 and name H2) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  56 and name H61) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  57 and name H2) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  57 and name H61) 2.500 0.700 0.900
assi (resi 72  and name H3) (resi  57 and name H62) 4.000 2.200 0.900
assi (resi 72  and name H3) (resi  58 and name H42) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  73 and name H1*) 5.000 3.200 0.900
assi (resi 72  and name H3) (resi  73 and name H3) 5.000 3.200 0.900

!residue 73 
assi (resi 73  and name H3) (resi  55 and name H1) 5.000 3.200 0.900
assi (resi 73  and name H3) (resi  73 and name H2*) 5.000 3.200 0.900
assi (resi 73  and name H3) (resi  73 and name H1*) 4.000 2.200 0.900
assi (resi 73  and name H3) (resi  74 and name H1*) 4.000 2.200 0.900
assi (resi 73  and name H3) (resi  56 and name H2) 5.000 3.200 0.900
assi (resi 73  and name H3) (resi  56 and name H61) 2.400 0.600 0.900
assi (resi 73  and name H3) (resi  56 and name H62) 3.500 1.700 0.900
assi (resi 73  and name H3) (resi  57 and name H2) 5.000 3.200 0.900
assi (resi 73  and name H3) (resi  74 and name H41) 4.000 2.200 0.900
assi (resi 73  and name H3) (resi  74 and name H42) 5.000 3.200 0.900

!residue 75
assi (resi 75  and name H3) (resi  54 and name H2) 5.000 3.200 0.900
assi (resi 75  and name H3) (resi  55 and name H1) 5.000 3.200 0.900
assi (resi 75  and name H3) (resi  75 and name H2*) 5.000 3.200 0.900
assi (resi 75  and name H3) (resi  75 and name H1*) 4.000 2.200 0.900
assi (resi 75  and name H3) (resi  76 and name H3) 5.000 3.200 0.900
assi (resi 75  and name H3) (resi  54 and name H61) 2.400 0.600 0.900
assi (resi 75  and name H3) (resi  54 and name H62) 3.500 1.700 0.900

!residue 76
assi (resi 76  and name H3) (resi  52 and name H1) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  53 and name H2) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  54 and name H2) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  76 and name H2*) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  76 and name H1*) 4.000 2.200 0.900
assi (resi 76  and name H3) (resi  76 and name H5) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  77 and name H1*) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  77 and name H5) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  53 and name H61) 2.400 0.600 0.900
assi (resi 76  and name H3) (resi  53 and name H62) 3.500 1.700 0.900
assi (resi 76  and name H3) (resi  54 and name H1*) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  54 and name H61) 5.000 3.200 0.900
assi (resi 76  and name H3) (resi  77 and name H41) 4.500 2.800 0.900

!residue 79
assi (resi 79  and name H3) (resi  49 and name H8) 5.000 3.200 0.900
assi (resi 79  and name H3) (resi  51 and name H1) 5.000 3.200 0.900
assi (resi 79  and name H3) (resi  49  and name H61) 5.000 3.200 0.900
assi (resi 79  and name H3) (resi  49  and name H62) 3.000 1.200 0.900
assi (resi 79  and name H3) (resi  51  and name H21) 5.000 3.200 0.900
assi (resi 79  and name H3) (resi  80 and name H1*) 5.000 3.200 0.900

!residue 82
assi (resi 82  and name H1) (resi  47 and name H2) 5.000 3.200 0.900
assi (resi 82  and name H1) (resi  48 and name H2*) 5.000 3.200 0.900
assi (resi 82  and name H1) (resi  48 and name H1*) 5.000 3.200 0.900
assi (resi 82  and name H1) (resi  80 and name H2) 5.000 3.200 0.900
assi (resi 82  and name H1) (resi  83 and name H1*) 5.000 3.200 0.900
assi (resi 82  and name H1) (resi  47  and name H62) 5.000 3.200 0.900

!residue 83
assi (resi 83  and name H3) (resi  46 and name H1) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  47 and name H2) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  82 and name H1) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  83 and name H2*) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  83 and name H1*) 4.000 2.200 0.900
assi (resi 83  and name H3) (resi  83 and name H6) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  47 and name H61) 2.400 0.600 0.900
assi (resi 83  and name H3) (resi  47 and name H62) 4.000 2.200 0.900
assi (resi 83  and name H3) (resi  48  and name H1*) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  84 and name H1*) 5.000 3.200 0.900
assi (resi 83  and name H3) (resi  84 and name H41) 4.500 2.800 0.900
assi (resi 83  and name H3) (resi  84 and name H42) 4.500 2.800 0.900


!residue 86
assi (resi 86  and name H3) (resi  44 and name H1) 5.000 3.200 0.900
assi (resi 86  and name H3) (resi  45 and name H1) 5.000 3.200 0.900
assi (resi 86  and name H3) (resi  86 and name H2*) 5.000 3.200 0.900
assi (resi 86  and name H3) (resi  86 and name H1*) 4.000 2.200 0.900
assi (resi 86  and name H3) (resi  86 and name H6) 5.000 3.200 0.900
assi (resi 86  and name H3) (resi  45 and name H1*) 5.000 3.200 0.900
assi (resi 86  and name H3) (resi  85 and name H41) 4.500 2.800 0.900
assi (resi 86  and name H3) (resi  85 and name H42) 4.500 2.800 0.900

!intermolecular NOEs
! molecule A - B

assi (resi 36  and name H3) (resi  65 and name H2) 4.000 2.200 0.800
assi (resi 36  and name H3) (resi  64 and name H2) 4.000 2.200 0.800
assi (resi 6   and name H61) (resi  64 and name H2) 4.000 2.200 0.800
assi (resi 6   and name H61) (resi  65 and name H2) 4.000 2.200 0.800
assi (resi 6   and name H62) (resi  65 and name H2) 4.000 2.200 0.800
assi (resi 8   and name H1) (resi  66 and name H2) 4.000 2.200 0.800
assi (resi 8   and name H21) (resi  65 and name H2) 4.000 2.200 0.800
assi (resi 8   and name H21) (resi  66 and name H2) 4.000 2.200 0.800
assi (resi 8   and name H21) (resi  66 and name H1*) 4.000 2.200 0.800
assi (resi 8   and name H22) (resi  66 and name H2) 4.000 2.200 0.800
assi (resi 8   and name H22) (resi  66 and name H1*) 4.000 2.200 0.800

! molecule B - A 

assi (resi 79  and name H3) (resi  22 and name H2) 4.000 2.200 0.800
assi (resi 79  and name H3) (resi  21 and name H2) 4.000 2.200 0.800
assi (resi 49   and name H61) (resi  21 and name H2) 4.000 2.200 0.800
assi (resi 49   and name H61) (resi  22 and name H2) 4.000 2.200 0.800
assi (resi 49   and name H62) (resi  22 and name H2) 4.000 2.200 0.800
assi (resi 51   and name H1) (resi  23 and name H2) 4.000 2.200 0.800
assi (resi 51   and name H21) (resi  22 and name H2) 4.000 2.200 0.800
assi (resi 51   and name H21) (resi  23 and name H2) 4.000 2.200 0.800
assi (resi 51   and name H21) (resi  23 and name H1*) 4.000 2.200 0.800
assi (resi 51   and name H22) (resi  23 and name H2) 4.000 2.200 0.800
assi (resi 51   and name H22) (resi  23 and name H1*) 4.000 2.200 0.800

!phosphate backbone restraints

assi (resi 2  and name p) (resi  3 and name p) 5.800 1.000 0.300
assi (resi 3  and name p) (resi  4 and name p) 5.800 1.000 0.300
assi (resi 4  and name p) (resi  5 and name p) 5.800 1.000 0.300
assi (resi 11  and name p) (resi  12 and name p) 5.800 1.000 0.300
assi (resi 12  and name p) (resi  13 and name p) 5.800 1.000 0.300
assi (resi 13  and name p) (resi  14 and name p) 5.800 1.000 0.300
assi (resi 14  and name p) (resi  15 and name p) 5.800 1.000 0.300
assi (resi 15  and name p) (resi  16 and name p) 5.800 1.000 0.300
assi (resi 16  and name p) (resi  17 and name p) 5.800 1.000 0.300
assi (resi 17  and name p) (resi  18 and name p) 5.800 1.000 0.300
assi (resi 18  and name p) (resi  19 and name p) 5.800 1.000 0.300
assi (resi 25  and name p) (resi  26 and name p) 5.800 1.000 0.300
assi (resi 26  and name p) (resi  27 and name p) 5.800 1.000 0.300
assi (resi 27  and name p) (resi  28 and name p) 5.800 1.000 0.300
assi (resi 28  and name p) (resi  29 and name p) 5.800 1.000 0.300
assi (resi 29  and name p) (resi  30 and name p) 5.800 1.000 0.300
assi (resi 30  and name p) (resi  31 and name p) 5.800 1.000 0.300
assi (resi 31  and name p) (resi  32 and name p) 5.800 1.000 0.300
assi (resi 32  and name p) (resi  33 and name p) 5.800 1.000 0.300
assi (resi 40  and name p) (resi  41 and name p) 5.800 1.000 0.300
assi (resi 41  and name p) (resi  42 and name p) 5.800 1.000 0.300
assi (resi 42  and name p) (resi  43 and name p) 5.800 1.000 0.300

!molecule b

assi (resi 45  and name p) (resi  46 and name p) 5.800 1.000 0.300
assi (resi 46  and name p) (resi  47 and name p) 5.800 1.000 0.300
assi (resi 47  and name p) (resi  48 and name p) 5.800 1.000 0.300
assi (resi 54  and name p) (resi  55 and name p) 5.800 1.000 0.300
assi (resi 55  and name p) (resi  56 and name p) 5.800 1.000 0.300
assi (resi 56  and name p) (resi  57 and name p) 5.800 1.000 0.300
assi (resi 57  and name p) (resi  58 and name p) 5.800 1.000 0.300
assi (resi 58  and name p) (resi  59 and name p) 5.800 1.000 0.300
assi (resi 59  and name p) (resi  60 and name p) 5.800 1.000 0.300
assi (resi 60  and name p) (resi  61 and name p) 5.800 1.000 0.300
assi (resi 61  and name p) (resi  62 and name p) 5.800 1.000 0.300
assi (resi 68  and name p) (resi  69 and name p) 5.800 1.000 0.300
assi (resi 69  and name p) (resi  70 and name p) 5.800 1.000 0.300
assi (resi 70  and name p) (resi  71 and name p) 5.800 1.000 0.300
assi (resi 71  and name p) (resi  72 and name p) 5.800 1.000 0.300
assi (resi 72  and name p) (resi  73 and name p) 5.800 1.000 0.300
assi (resi 73  and name p) (resi  74 and name p) 5.800 1.000 0.300
assi (resi 74  and name p) (resi  75 and name p) 5.800 1.000 0.300
assi (resi 75  and name p) (resi  76 and name p) 5.800 1.000 0.300
assi (resi 83  and name p) (resi  84 and name p) 5.800 1.000 0.300
assi (resi 84  and name p) (resi  85 and name p) 5.800 1.000 0.300
assi (resi 85  and name p) (resi  86 and name p) 5.800 1.000 0.300


! major groove phoaphate backbone restraints

assi (resi 10  and name p) (resi  26 and name p) 12.000 2.000 2.000
assi (resi 10  and name p) (resi  27 and name p) 10.000 2.000 2.000
assi (resi 10  and name p) (resi  28 and name p) 10.500 2.000 2.000

assi (resi 11  and name p) (resi  25 and name p) 12.000 2.000 2.000
assi (resi 11  and name p) (resi  26 and name p) 10.000 2.000 2.000
assi (resi 11  and name p) (resi  27 and name p) 10.500 2.000 2.000

assi (resi 12  and name p) (resi  24 and name p) 12.000 2.000 2.000
assi (resi 12  and name p) (resi  25 and name p) 10.000 2.000 2.000
assi (resi 12  and name p) (resi  26 and name p) 10.500 2.000 2.000

assi (resi 13  and name p) (resi  24 and name p) 10.000 2.000 2.000
assi (resi 13  and name p) (resi  25 and name p) 10.500 2.000 2.000

assi (resi 53  and name p) (resi  69 and name p) 12.000 2.000 2.000
assi (resi 53  and name p) (resi  70 and name p) 10.000 2.000 2.000
assi (resi 53  and name p) (resi  71 and name p) 10.500 2.000 2.000

assi (resi 54  and name p) (resi  68 and name p) 12.000 2.000 2.000
assi (resi 54  and name p) (resi  69 and name p) 10.000 2.000 2.000
assi (resi 54  and name p) (resi  70 and name p) 10.500 2.000 2.000

assi (resi 55  and name p) (resi  67 and name p) 12.000 2.000 2.000
assi (resi 55  and name p) (resi  68 and name p) 10.000 2.000 2.000
assi (resi 55  and name p) (resi  69 and name p) 10.500 2.000 2.000

assi (resi 56  and name p) (resi  67 and name p) 10.000 2.000 2.000
assi (resi 56  and name p) (resi  68 and name p) 10.500 2.000 2.000


!Mn binding sites molecule A

!Site one
assi (resi 1  and name H1) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 1  and name H8) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 1  and name H2*) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 2  and name H8) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 2  and name H1) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 41  and name H5) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 42  and name H5) (resi 101 and name MN) 7.000 5.000 0.000
assi (resi 43  and name H5) (resi 101 and name MN) 7.000 5.000 0.000
!repulsve restraints
assi (resi 41  and name H1*) (resi 101 and name MN) 10.000 3.000 35.000
assi (resi 43  and name H1*) (resi 101 and name MN) 10.000 3.000 35.000
assi (resi 43  and name H6) (resi 101 and name MN) 10.000 3.000 35.000
assi (resi 40  and name H1*) (resi 101 and name MN) 10.000 3.000 35.000
assi (resi 40  and name H6) (resi 101 and name MN) 10.000 3.000 35.000

!Site two
assi (resi 4  and name H8) (resi 102 and name MN) 7.000 5.000 0.000
assi (resi 5  and name H5) (resi 102 and name MN) 7.000 5.000 0.000
assi (resi 37  and name H3*) (resi 102 and name MN) 7.000 5.000 0.000
assi (resi 37  and name H2*) (resi 102 and name MN) 7.000 5.000 0.000
assi (resi 37  and name H8) (resi 102 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 4  and name H1*) (resi 102 and name MN) 10.000 3.000 35.000
assi (resi 5  and name H1*) (resi 102 and name MN) 10.000 3.000 35.000
assi (resi 5  and name H6) (resi 102 and name MN) 10.000 3.000 35.000
assi (resi 37  and name H1*) (resi 102 and name MN) 10.000 3.000 35.000
assi (resi 37  and name H2) (resi 102 and name MN) 10.000 3.000 35.000
assi (resi 38  and name H8) (resi 102 and name MN) 10.000 3.000 35.000

!Site three
assi (resi 6  and name H2*) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 6  and name H3*) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 7  and name H3*) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 8  and name H3*) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 8  and name H8) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 9  and name H1) (resi 103 and name MN) 7.000 5.000 0.000
assi (resi 9  and name H8) (resi 103 and name MN) 7.000 5.000 0.000
!repulsive restraints

!Site four
assi (resi 11  and name H8) (resi 104 and name MN) 7.000 5.000 0.000
assi (resi 12  and name H8) (resi 104 and name MN) 7.000 5.000 0.000
assi (resi 27  and name H8) (resi 104 and name MN) 7.000 5.000 0.000
assi (resi 28  and name H1) (resi 104 and name MN) 7.000 5.000 0.000
assi (resi 28  and name H8) (resi 104 and name MN) 7.000 5.000 0.000
assi (resi 29  and name H5) (resi 104 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 11  and name H2) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 11  and name H1*) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 13  and name H2) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 13  and name H1*) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 14  and name H8) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 14  and name H1*) (resi 104 and name MN) 10.000 3.000 35.000
assi (resi 31  and name H1*) (resi 104 and name MN) 10.000 3.000 35.000

!Site five
assi (resi 17  and name H1) (resi 105 and name MN) 7.000 5.000 0.000
assi (resi 18  and name H1) (resi 105 and name MN) 7.000 5.000 0.000
assi (resi 18  and name H8) (resi 105 and name MN) 7.000 5.000 0.000
assi (resi 19  and name H1) (resi 105 and name MN) 7.000 5.000 0.000
assi (resi 19  and name H8) (resi 105 and name MN) 7.000 5.000 0.000
assi (resi 19  and name H2*) (resi 105 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 19  and name H1*) (resi 105 and name MN) 10.000 3.000 35.000
assi (resi 23  and name H8) (resi 105 and name MN) 10.000 3.000 35.000
assi (resi 24  and name H1*) (resi 105 and name MN) 10.000 3.000 35.000
assi (resi 24  and name H5) (resi 105 and name MN) 10.000 3.000 35.000
assi (resi 24  and name H6) (resi 105 and name MN) 10.000 3.000 35.000
assi (resi 25  and name H6) (resi 105 and name MN) 10.000 3.000 35.000

!Mn binding sites molecule A

!Site one
assi (resi 44  and name H1) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 44  and name H8) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 44  and name H2*) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 45  and name H8) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 45  and name H1) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 84  and name H5) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 85  and name H5) (resi 106 and name MN) 7.000 5.000 0.000
assi (resi 86  and name H5) (resi 106 and name MN) 7.000 5.000 0.000
!repulsve restraints
assi (resi 84  and name H1*) (resi 106 and name MN) 10.000 3.000 35.000
assi (resi 86  and name H1*) (resi 106 and name MN) 10.000 3.000 35.000
assi (resi 86  and name H6) (resi 106 and name MN) 10.000 3.000 35.000
assi (resi 83  and name H1*) (resi 106 and name MN) 10.000 3.000 35.000
assi (resi 83  and name H6) (resi 106 and name MN) 10.000 3.000 35.000

!Site two
assi (resi 47  and name H8) (resi 107 and name MN) 7.000 5.000 0.000
assi (resi 48  and name H5) (resi 107 and name MN) 7.000 5.000 0.000
assi (resi 80  and name H3*) (resi 107 and name MN) 7.000 5.000 0.000
assi (resi 80  and name H2*) (resi 107 and name MN) 7.000 5.000 0.000
assi (resi 80  and name H8) (resi 107 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 47  and name H1*) (resi 107 and name MN) 10.000 3.000 35.000
assi (resi 48  and name H1*) (resi 107 and name MN) 10.000 3.000 35.000
assi (resi 48  and name H6) (resi 107 and name MN) 10.000 3.000 35.000
assi (resi 80  and name H1*) (resi 107 and name MN) 10.000 3.000 35.000
assi (resi 80  and name H2) (resi 107 and name MN) 10.000 3.000 35.000
assi (resi 81  and name H8) (resi 107 and name MN) 10.000 3.000 35.000


!Site three
assi (resi 49  and name H2*) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 49  and name H3*) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 50  and name H3*) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 51  and name H3*) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 51  and name H8) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 52  and name H1) (resi 108 and name MN) 7.000 5.000 0.000
assi (resi 52  and name H8) (resi 108 and name MN) 7.000 5.000 0.000
!repulsive restraints

!Site four
assi (resi 54  and name H8) (resi 109 and name MN) 7.000 5.000 0.000
assi (resi 55  and name H8) (resi 109 and name MN) 7.000 5.000 0.000
assi (resi 70  and name H8) (resi 109 and name MN) 7.000 5.000 0.000
assi (resi 71  and name H1) (resi 109 and name MN) 7.000 5.000 0.000
assi (resi 71  and name H8) (resi 109 and name MN) 7.000 5.000 0.000
assi (resi 72  and name H5) (resi 109 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 54  and name H2) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 54  and name H1*) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 56  and name H2) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 56  and name H1*) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 57  and name H8) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 57  and name H1*) (resi 109 and name MN) 10.000 3.000 35.000
assi (resi 74  and name H1*) (resi 109 and name MN) 10.000 3.000 35.000

!Site five
assi (resi 60  and name H1) (resi 110 and name MN) 7.000 5.000 0.000
assi (resi 61  and name H1) (resi 110 and name MN) 7.000 5.000 0.000
assi (resi 61  and name H8) (resi 110 and name MN) 7.000 5.000 0.000
assi (resi 62  and name H1) (resi 110 and name MN) 7.000 5.000 0.000
assi (resi 62  and name H8) (resi 110 and name MN) 7.000 5.000 0.000
assi (resi 62  and name H2*) (resi 110 and name MN) 7.000 5.000 0.000
!repulsive restraints
assi (resi 62  and name H1*) (resi 110 and name MN) 10.000 3.000 35.000
assi (resi 66  and name H8) (resi 110 and name MN) 10.000 3.000 35.000
assi (resi 67  and name H1*) (resi 110 and name MN) 10.000 3.000 35.000
assi (resi 67  and name H5) (resi 110 and name MN) 10.000 3.000 35.000
assi (resi 67  and name H6) (resi 110 and name MN) 10.000 3.000 35.000
assi (resi 68  and name H6) (resi 110 and name MN) 10.000 3.000 35.000


! basepair H-bonds for tecto

!Hydrogen bond restraints for GU wobble pairs

assi (resi  1 and name  h1) (resi 43 and name  o2) 1.89 0.00 0.00
assi (resi  1 and name  n1) (resi 43 and name  o2) 2.90 0.20 0.20
assi (resi  1 and name  o6) (resi 43 and name  h3) 1.95 0.00 0.00
assi (resi  1 and name  o6) (resi 43 and name  n3) 2.95 0.20 0.20

assi (resi 39 and name  h1) (resi  5 and name  o2) 1.89 0.00 0.00
assi (resi 39 and name  n1) (resi  5 and name  o2) 2.90 0.20 0.20
assi (resi 39 and name  o6) (resi  5 and name  h3) 1.95 0.00 0.00
assi (resi 39 and name  o6) (resi  5 and name  n3) 2.95 0.20 0.20

assi (resi 17 and name  h1) (resi 26 and name  o2) 1.89 0.00 0.00
assi (resi 17 and name  n1) (resi 26 and name  o2) 2.90 0.20 0.20
assi (resi 17 and name  o6) (resi 26 and name  h3) 1.95 0.00 0.00
assi (resi 17 and name  o6) (resi 26 and name  n3) 2.95 0.20 0.20

assi (resi 18 and name  h1) (resi 25 and name  o2) 1.89 0.00 0.00
assi (resi 18 and name  n1) (resi 25 and name  o2) 2.90 0.20 0.20
assi (resi 18 and name  o6) (resi 25 and name  h3) 1.95 0.00 0.00
assi (resi 18 and name  o6) (resi 25 and name  n3) 2.95 0.20 0.20

!Hydrogen bond restraints for GC WC pairs

assi (resi  2 and name  h1) (resi 42 and name  n3) 1.89 0.00 0.00
assi (resi  2 and name  n1) (resi 42 and name  n3) 2.90 0.20 0.20
assi (resi  2 and name  o6) (resi 42 and name h41) 1.95 0.00 0.00
assi (resi  2 and name  o6) (resi 42 and name  n4) 2.95 0.20 0.20
assi (resi  2 and name h21) (resi 42 and name  o2) 1.95 0.00 0.00
assi (resi  2 and name  n2) (resi 42 and name  o2) 2.95 0.20 0.20

assi (resi  3 and name  h1) (resi 41 and name  n3) 1.89 0.00 0.00
assi (resi  3 and name  n1) (resi 41 and name  n3) 2.90 0.20 0.20
assi (resi  3 and name  o6) (resi 41 and name h41) 1.95 0.00 0.00
assi (resi  3 and name  o6) (resi 41 and name  n4) 2.95 0.20 0.20
assi (resi  3 and name h21) (resi 41 and name  o2) 1.95 0.00 0.00
assi (resi  3 and name  n2) (resi 41 and name  o2) 2.95 0.20 0.20


assi (resi  8 and name  h1) (resi 35 and name  n3) 1.89 0.00 0.00
assi (resi  8 and name  n1) (resi 35 and name  n3) 2.90 0.20 0.20
assi (resi  8 and name  o6) (resi 35 and name h41) 1.95 0.00 0.00
assi (resi  8 and name  o6) (resi 35 and name  n4) 2.95 0.20 0.20
assi (resi  8 and name h21) (resi 35 and name  o2) 1.95 0.00 0.00
assi (resi  8 and name  n2) (resi 35 and name  o2) 2.95 0.20 0.20

assi (resi  9 and name  h1) (resi 34 and name  n3) 1.89 0.00 0.00
assi (resi  9 and name  n1) (resi 34 and name  n3) 2.90 0.20 0.20
assi (resi  9 and name  o6) (resi 34 and name h41) 1.95 0.00 0.00
assi (resi  9 and name  o6) (resi 34 and name  n4) 2.95 0.20 0.20
assi (resi  9 and name h21) (resi 34 and name  o2) 1.95 0.00 0.00
assi (resi  9 and name  n2) (resi 34 and name  o2) 2.95 0.20 0.20

assi (resi 12 and name  h1) (resi 31 and name  n3) 1.89 0.00 0.00
assi (resi 12 and name  n1) (resi 31 and name  n3) 2.90 0.20 0.20
assi (resi 12 and name  o6) (resi 31 and name h41) 1.95 0.00 0.00
assi (resi 12 and name  o6) (resi 31 and name  n4) 2.95 0.20 0.20
assi (resi 12 and name h21) (resi 31 and name  o2) 1.95 0.00 0.00
assi (resi 12 and name  n2) (resi 31 and name  o2) 2.95 0.20 0.20

assi (resi 19 and name  n1) (resi 24 and name  n3) 2.90 0.20 0.20
assi (resi 19 and name  o6) (resi 24 and name h41) 1.95 0.00 0.00
assi (resi 19 and name  o6) (resi 24 and name  n4) 2.95 0.20 0.20
assi (resi 19 and name h21) (resi 24 and name  o2) 1.95 0.00 0.00
assi (resi 19 and name  n2) (resi 24 and name  o2) 2.95 0.20 0.20

assi (resi 27 and name  h1) (resi 16 and name  n3) 1.89 0.00 0.00
assi (resi 27 and name  n1) (resi 16 and name  n3) 2.90 0.20 0.20
assi (resi 27 and name  o6) (resi 16 and name h41) 1.95 0.00 0.00
assi (resi 27 and name  o6) (resi 16 and name  n4) 2.95 0.20 0.20
assi (resi 27 and name h21) (resi 16 and name  o2) 1.95 0.00 0.00
assi (resi 27 and name  n2) (resi 16 and name  o2) 2.95 0.20 0.20

assi (resi 28 and name  h1) (resi 15 and name  n3) 1.89 0.00 0.00
assi (resi 28 and name  n1) (resi 15 and name  n3) 2.90 0.20 0.20
assi (resi 28 and name  o6) (resi 15 and name h41) 1.95 0.00 0.00
assi (resi 28 and name  o6) (resi 15 and name  n4) 2.95 0.20 0.20
assi (resi 28 and name h21) (resi 15 and name  o2) 1.95 0.00 0.00
assi (resi 28 and name  n2) (resi 15 and name  o2) 2.95 0.20 0.20

!Hydrogen bond restraints for AU WC pairs

assi (resi 40 and name  h3) (resi  4 and name  n1) 1.89 0.00 0.00
assi (resi 40 and name  n3) (resi  4 and name  n1) 2.90 0.20 0.20
assi (resi 40 and name  o4) (resi  4 and name h61) 1.95 0.00 0.00
assi (resi 40 and name  o4) (resi  4 and name  n6) 2.95 0.20 0.20

assi (resi 33 and name  h3) (resi 10 and name  n1) 1.89 0.00 0.00
assi (resi 33 and name  n3) (resi 10 and name  n1) 2.90 0.20 0.20
assi (resi 33 and name  o4) (resi 10 and name h61) 1.95 0.00 0.00
assi (resi 33 and name  o4) (resi 10 and name  n6) 2.95 0.20 0.20

assi (resi 32 and name  h3) (resi 11 and name  n1) 1.89 0.00 0.00
assi (resi 32 and name  n3) (resi 11 and name  n1) 2.90 0.20 0.20
assi (resi 32 and name  o4) (resi 11 and name h61) 1.95 0.00 0.00
assi (resi 32 and name  o4) (resi 11 and name  n6) 2.95 0.20 0.20

assi (resi 30 and name  h3) (resi 13 and name  n1) 1.89 0.00 0.00
assi (resi 30 and name  n3) (resi 13 and name  n1) 2.90 0.20 0.20
assi (resi 30 and name  o4) (resi 13 and name h61) 1.95 0.00 0.00
assi (resi 30 and name  o4) (resi 13 and name  n6) 2.95 0.20 0.20

assi (resi 29 and name  h3) (resi 14 and name  n1) 1.89 0.00 0.00
assi (resi 29 and name  n3) (resi 14 and name  n1) 2.90 0.20 0.20
assi (resi 29 and name  o4) (resi 14 and name h61) 1.95 0.00 0.00
assi (resi 29 and name  o4) (resi 14 and name  n6) 2.95 0.20 0.20

!Hydrogen bond restraints for non-WC pairs

assi (resi 38 and name  n6) (resi 37 and name  n3) 2.95 0.30 0.30
assi (resi 38 and name h62) (resi 37 and name  n3) 1.95 0.20 0.20

assi (resi 20 and name h22) (resi 23 and name  n7) 1.89 0.00 0.00
assi (resi 20 and name  n2) (resi 23 and name  n7) 2.90 0.20 0.20
assi (resi 20 and name  n3) (resi 23 and name h62) 1.95 0.00 0.00
assi (resi 20 and name  n3) (resi 23 and name  n6) 2.95 0.20 0.20

assi (resi  6 and name h62) (resi 36 and name  o2) 1.89 0.00 0.00
assi (resi  6 and name  n6) (resi 36 and name  o2) 2.90 0.20 0.20
assi (resi  6 and name  n7) (resi 36 and name  h3) 1.95 0.00 0.00
assi (resi  6 and name  n7) (resi 36 and name  n3) 2.95 0.20 0.20

! molecule B

!Hydrogen bond restraints for GU wobble pairs

assi (resi 44 and name  h1) (resi 86 and name  o2) 1.89 0.00 0.00
assi (resi 44 and name  n1) (resi 86 and name  o2) 2.90 0.20 0.20
assi (resi 44 and name  o6) (resi 86 and name  h3) 1.95 0.00 0.00
assi (resi 44 and name  o6) (resi 86 and name  n3) 2.95 0.20 0.20

assi (resi 82 and name  h1) (resi 48 and name  o2) 1.89 0.00 0.00
assi (resi 82 and name  n1) (resi 48 and name  o2) 2.90 0.20 0.20
assi (resi 82 and name  o6) (resi 48 and name  h3) 1.95 0.00 0.00
assi (resi 82 and name  o6) (resi 48 and name  n3) 2.95 0.20 0.20

assi (resi 60 and name  h1) (resi 69 and name  o2) 1.89 0.00 0.00
assi (resi 60 and name  n1) (resi 69 and name  o2) 2.90 0.20 0.20
assi (resi 60 and name  o6) (resi 69 and name  h3) 1.95 0.00 0.00
assi (resi 60 and name  o6) (resi 69 and name  n3) 2.95 0.20 0.20

assi (resi 61 and name  h1) (resi 68 and name  o2) 1.89 0.00 0.00
assi (resi 61 and name  n1) (resi 68 and name  o2) 2.90 0.20 0.20
assi (resi 61 and name  o6) (resi 68 and name  h3) 1.95 0.00 0.00
assi (resi 61 and name  o6) (resi 68 and name  n3) 2.95 0.20 0.20

!Hydrogen bond restraints for GC WC pairs

assi (resi 45 and name  h1) (resi 85 and name  n3) 1.89 0.00 0.00
assi (resi 45 and name  n1) (resi 85 and name  n3) 2.90 0.20 0.20
assi (resi 45 and name  o6) (resi 85 and name h41) 1.95 0.00 0.00
assi (resi 45 and name  o6) (resi 85 and name  n4) 2.95 0.20 0.20
assi (resi 45 and name h21) (resi 85 and name  o2) 1.95 0.00 0.00
assi (resi 45 and name  n2) (resi 85 and name  o2) 2.95 0.20 0.20

assi (resi 46 and name  h1) (resi 84 and name  n3) 1.89 0.00 0.00
assi (resi 46 and name  n1) (resi 84 and name  n3) 2.90 0.20 0.20
assi (resi 46 and name  o6) (resi 84 and name h41) 1.95 0.00 0.00
assi (resi 46 and name  o6) (resi 84 and name  n4) 2.95 0.20 0.20
assi (resi 46 and name h21) (resi 84 and name  o2) 1.95 0.00 0.00
assi (resi 46 and name  n2) (resi 84 and name  o2) 2.95 0.20 0.20


assi (resi 51 and name  h1) (resi 78 and name  n3) 1.89 0.00 0.00
assi (resi 51 and name  n1) (resi 78 and name  n3) 2.90 0.20 0.20
assi (resi 51 and name  o6) (resi 78 and name h41) 1.95 0.00 0.00
assi (resi 51 and name  o6) (resi 78 and name  n4) 2.95 0.20 0.20
assi (resi 51 and name h21) (resi 78 and name  o2) 1.95 0.00 0.00
assi (resi 51 and name  n2) (resi 78 and name  o2) 2.95 0.20 0.20

assi (resi 52 and name  h1) (resi 77 and name  n3) 1.89 0.00 0.00
assi (resi 52 and name  n1) (resi 77 and name  n3) 2.90 0.20 0.20
assi (resi 52 and name  o6) (resi 77 and name h41) 1.95 0.00 0.00
assi (resi 52 and name  o6) (resi 77 and name  n4) 2.95 0.20 0.20
assi (resi 52 and name h21) (resi 77 and name  o2) 1.95 0.00 0.00
assi (resi 52 and name  n2) (resi 77 and name  o2) 2.95 0.20 0.20

assi (resi 55 and name  h1) (resi 74 and name  n3) 1.89 0.00 0.00
assi (resi 55 and name  n1) (resi 74 and name  n3) 2.90 0.20 0.20
assi (resi 55 and name  o6) (resi 74 and name h41) 1.95 0.00 0.00
assi (resi 55 and name  o6) (resi 74 and name  n4) 2.95 0.20 0.20
assi (resi 55 and name h21) (resi 74 and name  o2) 1.95 0.00 0.00
assi (resi 55 and name  n2) (resi 74 and name  o2) 2.95 0.20 0.20

assi (resi 62 and name  n1) (resi 67 and name  n3) 2.90 0.20 0.20
assi (resi 62 and name  o6) (resi 67 and name h41) 1.95 0.00 0.00
assi (resi 62 and name  o6) (resi 67 and name  n4) 2.95 0.20 0.20
assi (resi 62 and name h21) (resi 67 and name  o2) 1.95 0.00 0.00
assi (resi 62 and name  n2) (resi 67 and name  o2) 2.95 0.20 0.20

assi (resi 70 and name  h1) (resi 59 and name  n3) 1.89 0.00 0.00
assi (resi 70 and name  n1) (resi 59 and name  n3) 2.90 0.20 0.20
assi (resi 70 and name  o6) (resi 59 and name h41) 1.95 0.00 0.00
assi (resi 70 and name  o6) (resi 59 and name  n4) 2.95 0.20 0.20
assi (resi 70 and name h21) (resi 59 and name  o2) 1.95 0.00 0.00
assi (resi 70 and name  n2) (resi 59 and name  o2) 2.95 0.20 0.20

assi (resi 71 and name  h1) (resi 58 and name  n3) 1.89 0.00 0.00
assi (resi 71 and name  n1) (resi 58 and name  n3) 2.90 0.20 0.20
assi (resi 71 and name  o6) (resi 58 and name h41) 1.95 0.00 0.00
assi (resi 71 and name  o6) (resi 58 and name  n4) 2.95 0.20 0.20
assi (resi 71 and name h21) (resi 58 and name  o2) 1.95 0.00 0.00
assi (resi 71 and name  n2) (resi 58 and name  o2) 2.95 0.20 0.20

!Hydrogen bond restraints for AU WC pairs

assi (resi 83 and name  h3) (resi 47 and name  n1) 1.89 0.00 0.00
assi (resi 83 and name  n3) (resi 47 and name  n1) 2.90 0.20 0.20
assi (resi 83 and name  o4) (resi 47 and name h61) 1.95 0.00 0.00
assi (resi 83 and name  o4) (resi 47 and name  n6) 2.95 0.20 0.20

assi (resi 76 and name  h3) (resi 53 and name  n1) 1.89 0.00 0.00
assi (resi 76 and name  n3) (resi 53 and name  n1) 2.90 0.20 0.20
assi (resi 76 and name  o4) (resi 53 and name h61) 1.95 0.00 0.00
assi (resi 76 and name  o4) (resi 53 and name  n6) 2.95 0.20 0.20

assi (resi 75 and name  h3) (resi 54 and name  n1) 1.89 0.00 0.00
assi (resi 75 and name  n3) (resi 54 and name  n1) 2.90 0.20 0.20
assi (resi 75 and name  o4) (resi 54 and name h61) 1.95 0.00 0.00
assi (resi 75 and name  o4) (resi 54 and name  n6) 2.95 0.20 0.20

assi (resi 73 and name  h3) (resi 56 and name  n1) 1.89 0.00 0.00
assi (resi 73 and name  n3) (resi 56 and name  n1) 2.90 0.20 0.20
assi (resi 73 and name  o4) (resi 56 and name h61) 1.95 0.00 0.00
assi (resi 73 and name  o4) (resi 56 and name  n6) 2.95 0.20 0.20

assi (resi 72 and name  h3) (resi 57 and name  n1) 1.89 0.00 0.00
assi (resi 72 and name  n3) (resi 57 and name  n1) 2.90 0.20 0.20
assi (resi 72 and name  o4) (resi 57 and name h61) 1.95 0.00 0.00
assi (resi 72 and name  o4) (resi 57 and name  n6) 2.95 0.20 0.20

!Hydrogen bond restraints for non-WC pairs

assi (resi 81 and name  n6) (resi 80 and name  n3) 2.95 0.30 0.30
assi (resi 81 and name h62) (resi 80 and name  n3) 1.95 0.20 0.20

assi (resi 63 and name h22) (resi 66 and name  n7) 1.89 0.00 0.00
assi (resi 63 and name  n2) (resi 66 and name  n7) 2.90 0.20 0.20
assi (resi 63 and name  n3) (resi 66 and name h62) 1.95 0.00 0.00
assi (resi 63 and name  n3) (resi 66 and name  n6) 2.95 0.20 0.20

assi (resi 49 and name h62) (resi 79 and name  o2) 1.89 0.00 0.00
assi (resi 49 and name  n6) (resi 79 and name  o2) 2.90 0.20 0.20
assi (resi 49 and name  n7) (resi 79 and name  h3) 1.95 0.00 0.00
assi (resi 49 and name  n7) (resi 79 and name  n3) 2.95 0.20 0.20

! intermolecular hydrogen bonds

assi (resi 21 and name h61) (resi 49 and name  n1) 1.89 0.10 0.10
assi (resi 21 and name  n6) (resi 49 and name  n1) 2.90 0.20 0.20
assi (resi 49 and name h61) (resi 21 and name  n1) 1.89 0.10 0.10
assi (resi 49 and name  n6) (resi 21 and name  n1) 2.90 0.20 0.20
assi (resi 64 and name h61) (resi  6 and name  n1) 1.89 0.10 0.10
assi (resi 64 and name  n6) (resi  6 and name  n1) 2.90 0.20 0.20
assi (resi  6 and name h61) (resi 64 and name  n1) 1.89 0.10 0.10
assi (resi  6 and name  n6) (resi 64 and name  n1) 2.90 0.20 0.20

assi (resi  8 and name h22) (resi 66 and name  n3) 1.89 0.00 0.00
assi (resi  8 and name  n2) (resi 66 and name  n3) 2.90 0.20 0.20
assi (resi 51 and name h22) (resi 23 and name  n3) 1.89 0.00 0.00
assi (resi 51 and name  n2) (resi 23 and name  n3) 2.90 0.20 0.20


{*backbone dihedral angles*}
{*to constrain these regions to ideal A form RNA*}

                                  
 assign (resi   1 and name O5*  )                        
        (resi   1 and name C5*  )                        
        (resi   1 and name C4*  )                        
        (resi   1 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   1 and name C5*  )                        
        (resi   1 and name C4*  )                        
        (resi   1 and name C3*  )                        
        (resi   1 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   1 and name C4*  )                        
        (resi   1 and name C3*  )                        
        (resi   1 and name O3*  )                        
        (resi   2 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   1 and name C3*  )                        
        (resi   1 and name O3*  )                        
        (resi   2 and name P    )                        
        (resi   2 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   1 and name O3*  )                        
        (resi   2 and name P    )                        
        (resi   2 and name O5*  )                        
        (resi   2 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   2 and name P    )                        
        (resi   2 and name O5*  )                        
        (resi   2 and name C5*  )                        
        (resi   2 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   2 and name O5*  )                        
        (resi   2 and name C5*  )                        
        (resi   2 and name C4*  )                        
        (resi   2 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   2 and name C5*  )                        
        (resi   2 and name C4*  )                        
        (resi   2 and name C3*  )                        
        (resi   2 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   2 and name C4*  )                        
        (resi   2 and name C3*  )                        
        (resi   2 and name O3*  )                        
        (resi   3 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   2 and name C3*  )                        
        (resi   2 and name O3*  )                        
        (resi   3 and name P    )                        
        (resi   3 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   2 and name O3*  )                        
        (resi   3 and name P    )                        
        (resi   3 and name O5*  )                        
        (resi   3 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   3 and name P    )                        
        (resi   3 and name O5*  )                        
        (resi   3 and name C5*  )                        
        (resi   3 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   3 and name O5*  )                        
        (resi   3 and name C5*  )                        
        (resi   3 and name C4*  )                        
        (resi   3 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   3 and name C5*  )                        
        (resi   3 and name C4*  )                        
        (resi   3 and name C3*  )                        
        (resi   3 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   3 and name C4*  )                        
        (resi   3 and name C3*  )                        
        (resi   3 and name O3*  )                        
        (resi   4 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   3 and name C3*  )                        
        (resi   3 and name O3*  )                        
        (resi   4 and name P    )                        
        (resi   4 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   3 and name O3*  )                        
        (resi   4 and name P    )                        
        (resi   4 and name O5*  )                        
        (resi   4 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   4 and name P    )                        
        (resi   4 and name O5*  )                        
        (resi   4 and name C5*  )                        
        (resi   4 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   4 and name O5*  )                        
        (resi   4 and name C5*  )                        
        (resi   4 and name C4*  )                        
        (resi   4 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   4 and name C5*  )                        
        (resi   4 and name C4*  )                        
        (resi   4 and name C3*  )                        
        (resi   4 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   4 and name C4*  )                        
        (resi   4 and name C3*  )                        
        (resi   4 and name O3*  )                        
        (resi   5 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   4 and name C3*  )                        
        (resi   4 and name O3*  )                        
        (resi   5 and name P    )                        
        (resi   5 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   4 and name O3*  )                        
        (resi   5 and name P    )                        
        (resi   5 and name O5*  )                        
        (resi   5 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   5 and name P    )                        
        (resi   5 and name O5*  )                        
        (resi   5 and name C5*  )                        
        (resi   5 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   10 and name O5*  )                        
        (resi   10 and name C5*  )                        
        (resi   10 and name C4*  )                        
        (resi   10 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   10 and name C5*  )                        
        (resi   10 and name C4*  )                        
        (resi   10 and name C3*  )                        
        (resi   10 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   10 and name C4*  )                        
        (resi   10 and name C3*  )                        
        (resi   10 and name O3*  )                        
        (resi   11 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   10 and name C3*  )                        
        (resi   10 and name O3*  )                        
        (resi   11 and name P    )                        
        (resi   11 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
       

 assign (resi   10 and name O3*  )                        
        (resi   11 and name P    )                        
        (resi   11 and name O5*  )                        
        (resi   11 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                                                        
 assign (resi   11 and name P    )                        
        (resi   11 and name O5*  )                        
        (resi   11 and name C5*  )                        
        (resi   11 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
 
 assign (resi   11 and name O5*  )                        
        (resi   11 and name C5*  )                        
        (resi   11 and name C4*  )                        
        (resi   11 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   11 and name C5*  )                        
        (resi   11 and name C4*  )                        
        (resi   11 and name C3*  )                        
        (resi   11 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   11 and name C4*  )                        
        (resi   11 and name C3*  )                        
        (resi   11 and name O3*  )                        
        (resi   12 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   11 and name C3*  )                        
        (resi   11 and name O3*  )                        
        (resi   12 and name P    )                        
        (resi   12 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   11 and name O3*  )                        
        (resi   12 and name P    )                        
        (resi   12 and name O5*  )                        
        (resi   12 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   12 and name P    )                        
        (resi   12 and name O5*  )                        
        (resi   12 and name C5*  )                        
        (resi   12 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   12 and name O5*  )                        
        (resi   12 and name C5*  )                        
        (resi   12 and name C4*  )                        
        (resi   12 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   12 and name C5*  )                        
        (resi   12 and name C4*  )                        
        (resi   12 and name C3*  )                        
        (resi   12 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   12 and name C4*  )                        
        (resi   12 and name C3*  )                        
        (resi   12 and name O3*  )                        
        (resi   13 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   12 and name C3*  )                        
        (resi   12 and name O3*  )                        
        (resi   13 and name P    )                        
        (resi   13 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   12 and name O3*  )                        
        (resi   13 and name P    )                        
        (resi   13 and name O5*  )                        
        (resi   13 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   13 and name P    )                        
        (resi   13 and name O5*  )                        
        (resi   13 and name C5*  )                        
        (resi   13 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   13 and name O5*  )                        
        (resi   13 and name C5*  )                        
        (resi   13 and name C4*  )                        
        (resi   13 and name C3*  )   1.0   47.44   20.0  2 {*gamma*}
                                   
 assign (resi   13 and name C5*  )                        
        (resi   13 and name C4*  )                        
        (resi   13 and name C3*  )                        
        (resi   13 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   13 and name C4*  )                        
        (resi   13 and name C3*  )                        
        (resi   13 and name O3*  )                        
        (resi   14 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   13 and name C3*  )                        
        (resi   13 and name O3*  )                        
        (resi   14 and name P    )                        
        (resi   14 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}          

 assign (resi   13 and name O3*  )                        
        (resi   14 and name P    )                        
        (resi   14 and name O5*  )                        
        (resi   14 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   14 and name P    )                        
        (resi   14 and name O5*  )                        
        (resi   14 and name C5*  )                        
        (resi   14 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   14 and name O5*  )                        
        (resi   14 and name C5*  )                        
        (resi   14 and name C4*  )                        
        (resi   14 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   14 and name C5*  )                        
        (resi   14 and name C4*  )                        
        (resi   14 and name C3*  )                        
        (resi   14 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   14 and name C4*  )                        
        (resi   14 and name C3*  )                        
        (resi   14 and name O3*  )                        
        (resi   15 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}        

 assign  ( resi 14 and name C3*  )                        
         ( resi 14 and name O3*  )                        
         ( resi 15 and name P    )                        
         ( resi 15 and name O5*  )   3.0   -73.6    20.0  2 {*zeta*}

 assign  ( resi 14 and name O3*  )                        
         ( resi 15 and name P    )                        
         ( resi 15 and name O5*  )                        
         ( resi 15 and name C5*  )   3.0   -62.1    20.0  2 {*alpha*}    

 assign (resi   15 and name P    )                        
        (resi   15 and name O5*  )                        
        (resi   15 and name C5*  )                        
        (resi   15 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   15 and name O5*  )                        
        (resi   15 and name C5*  )                        
        (resi   15 and name C4*  )                        
        (resi   15 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   15 and name C5*  )                        
        (resi   15 and name C4*  )                        
        (resi   15 and name C3*  )                        
        (resi   15 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   15 and name C4*  )                        
        (resi   15 and name C3*  )                        
        (resi   15 and name O3*  )                        
        (resi   16 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   15 and name C3*  )                        
        (resi   15 and name O3*  )                        
        (resi   16 and name P    )                        
        (resi   16 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   15 and name O3*  )                        
        (resi   16 and name P    )                        
        (resi   16 and name O5*  )                        
        (resi   16 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   16 and name P    )                        
        (resi   16 and name O5*  )                        
        (resi   16 and name C5*  )                        
        (resi   16 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   16 and name O5*  )                        
        (resi   16 and name C5*  )                        
        (resi   16 and name C4*  )                        
        (resi   16 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   16 and name C5*  )                        
        (resi   16 and name C4*  )                        
        (resi   16 and name C3*  )                        
        (resi   16 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   16 and name C4*  )                        
        (resi   16 and name C3*  )                        
        (resi   16 and name O3*  )                        
        (resi   17 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   16 and name C3*  )                        
        (resi   16 and name O3*  )                        
        (resi   17 and name P    )                        
        (resi   17 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   16 and name O3*  )                        
        (resi   17 and name P    )                        
        (resi   17 and name O5*  )                        
        (resi   17 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   17 and name P    )                        
        (resi   17 and name O5*  )                        
        (resi   17 and name C5*  )                        
        (resi   17 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   17 and name O5*  )                        
        (resi   17 and name C5*  )                        
        (resi   17 and name C4*  )                        
        (resi   17 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   17 and name C5*  )                        
        (resi   17 and name C4*  )                        
        (resi   17 and name C3*  )                        
        (resi   17 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   17 and name C4*  )                        
        (resi   17 and name C3*  )                        
        (resi   17 and name O3*  )                        
        (resi   18 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   17 and name C3*  )                        
        (resi   17 and name O3*  )                        
        (resi   18 and name P    )                        
        (resi   18 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   17 and name O3*  )                        
        (resi   18 and name P    )                        
        (resi   18 and name O5*  )                        
        (resi   18 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   18 and name P    )                        
        (resi   18 and name O5*  )                        
        (resi   18 and name C5*  )                        
        (resi   18 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   18 and name O5*  )                        
        (resi   18 and name C5*  )                        
        (resi   18 and name C4*  )                        
        (resi   18 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   18 and name C5*  )                        
        (resi   18 and name C4*  )                        
        (resi   18 and name C3*  )                        
        (resi   18 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   18 and name C4*  )                        
        (resi   18 and name C3*  )                        
        (resi   18 and name O3*  )                        
        (resi   19 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   18 and name C3*  )                        
        (resi   18 and name O3*  )                        
        (resi   19 and name P    )                        
        (resi   19 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   18 and name O3*  )                        
        (resi   19 and name P    )                        
        (resi   19 and name O5*  )                        
        (resi   19 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   19 and name P    )                        
        (resi   19 and name O5*  )                        
        (resi   19 and name C5*  )                        
        (resi   19 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   19 and name O5*  )                        
        (resi   19 and name C5*  )                        
        (resi   19 and name C4*  )                        
        (resi   19 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   19 and name C5*  )                        
        (resi   19 and name C4*  )                        
        (resi   19 and name C3*  )                        
        (resi   19 and name O3*  )   1.0   83.45    20.0  2 {*delta*}

                                   
  assign (resi   24 and name O5*  )                        
        (resi   24 and name C5*  )                        
        (resi   24 and name C4*  )                        
        (resi   24 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   24 and name C5*  )                        
        (resi   24 and name C4*  )                        
        (resi   24 and name C3*  )                        
        (resi   24 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   24 and name C4*  )                        
        (resi   24 and name C3*  )                        
        (resi   24 and name O3*  )                        
        (resi   25 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   24 and name C3*  )                        
        (resi   24 and name O3*  )                        
        (resi   25 and name P    )                        
        (resi   25 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   24 and name O3*  )                        
        (resi   25 and name P    )                        
        (resi   25 and name O5*  )                        
        (resi   25 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   25 and name P    )                        
        (resi   25 and name O5*  )                        
        (resi   25 and name C5*  )                        
        (resi   25 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   25 and name O5*  )                        
        (resi   25 and name C5*  )                        
        (resi   25 and name C4*  )                        
        (resi   25 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   25 and name C5*  )                        
        (resi   25 and name C4*  )                        
        (resi   25 and name C3*  )                        
        (resi   25 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   25 and name C4*  )                        
        (resi   25 and name C3*  )                        
        (resi   25 and name O3*  )                        
        (resi   26 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   25 and name C3*  )                        
        (resi   25 and name O3*  )                        
        (resi   26 and name P    )                        
        (resi   26 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   25 and name O3*  )                        
        (resi   26 and name P    )                        
        (resi   26 and name O5*  )                        
        (resi   26 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   26 and name P    )                        
        (resi   26 and name O5*  )                        
        (resi   26 and name C5*  )                        
        (resi   26 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   26 and name O5*  )                        
        (resi   26 and name C5*  )                        
        (resi   26 and name C4*  )                        
        (resi   26 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   26 and name C5*  )                        
        (resi   26 and name C4*  )                        
        (resi   26 and name C3*  )                        
        (resi   26 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
  
 assign (resi   26 and name C4*  )                        
        (resi   26 and name C3*  )                        
        (resi   26 and name O3*  )                        
        (resi   27  and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   26 and name C3*  )                        
        (resi   26 and name O3*  )                        
        (resi   27 and name P    )                        
        (resi   27 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   26 and name O3*  )                        
        (resi   27 and name P    )                        
        (resi   27 and name O5*  )                        
        (resi   27 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   27 and name P    )                        
        (resi   27 and name O5*  )                        
        (resi   27 and name C5*  )                        
        (resi   27 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   27 and name O5*  )                        
        (resi   27 and name C5*  )                        
        (resi   27 and name C4*  )                        
        (resi   27 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   27 and name C5*  )                        
        (resi   27 and name C4*  )                        
        (resi   27 and name C3*  )                        
        (resi   27 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   27 and name C4*  )                        
        (resi   27 and name C3*  )                        
        (resi   27 and name O3*  )                        
        (resi   28 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   27 and name C3*  )                        
        (resi   27 and name O3*  )                        
        (resi   28 and name P    )                        
        (resi   28 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   27 and name O3*  )                        
        (resi   28 and name P    )                        
        (resi   28 and name O5*  )                        
        (resi   28 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   28 and name P    )                        
        (resi   28 and name O5*  )                        
        (resi   28 and name C5*  )                        
        (resi   28 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   28 and name O5*  )                        
        (resi   28 and name C5*  )                        
        (resi   28 and name C4*  )                        
        (resi   28 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   28 and name C5*  )                        
        (resi   28 and name C4*  )                        
        (resi   28 and name C3*  )                        
        (resi   28 and name O3*  )   1.0   83.45    20.0  2 {*delta*}        
 assign (resi   28 and name C4*  )                        
        (resi   28 and name C3*  )                        
        (resi   28 and name O3*  )                        
        (resi   29 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   28 and name C3*  )                        
        (resi   28 and name O3*  )                        
        (resi   29 and name P    )                        
        (resi   29 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   28 and name O3*  )                        
        (resi   29 and name P    )                        
        (resi   29 and name O5*  )                        
        (resi   29 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   29 and name P    )                        
        (resi   29 and name O5*  )                        
        (resi   29 and name C5*  )                        
        (resi   29 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   29 and name O5*  )                        
        (resi   29 and name C5*  )                        
        (resi   29 and name C4*  )                        
        (resi   29 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   29 and name C5*  )                        
        (resi   29 and name C4*  )                        
        (resi   29 and name C3*  )                        
        (resi   29 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   29 and name C4*  )                        
        (resi   29 and name C3*  )                        
        (resi   29 and name O3*  )                        
        (resi   30 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   29 and name C3*  )                        
        (resi   29 and name O3*  )                        
        (resi   30 and name P    )                        
        (resi   30 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   29 and name O3*  )                        
        (resi   30 and name P    )                        
        (resi   30 and name O5*  )                        
        (resi   30 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   30 and name P    )                        
        (resi   30 and name O5*  )                        
        (resi   30 and name C5*  )                        
        (resi   30 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   30 and name O5*  )                        
        (resi   30 and name C5*  )                        
        (resi   30 and name C4*  )                        
        (resi   30 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   30 and name C5*  )                        
        (resi   30 and name C4*  )                        
        (resi   30 and name C3*  )                        
        (resi   30 and name O3*  )   1.0   83.45    20.0  2 {*delta*}   

 assign (resi   30 and name C4*  )                        
        (resi   30 and name C3*  )                        
        (resi   30 and name O3*  )                        
        (resi   31 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   30 and name C3*  )                        
        (resi   30 and name O3*  )                        
        (resi   31 and name P    )                        
        (resi   31 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   30 and name O3*  )                        

        
        (resi   31 and name P    )                        
        (resi   31 and name O5*  )                        
        (resi   31 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   31 and name P    )                        
        (resi   31 and name O5*  )                        
        (resi   31 and name C5*  )                        
        (resi   31 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   31 and name O5*  )                        
        (resi   31 and name C5*  )                        
        (resi   31 and name C4*  )                        
        (resi   31 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   31 and name C5*  )                        
        (resi   31 and name C4*  )                        
        (resi   31 and name C3*  )                        
        (resi   31 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   31 and name C4*  )                        
        (resi   31 and name C3*  )                        
        (resi   31 and name O3*  )                        
        (resi   32 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   31 and name C3*  )                        
        (resi   31 and name O3*  )                        
        (resi   32 and name P    )                        
        (resi   32 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   31 and name O3*  )                        
        (resi   32 and name P    )                        
        (resi   32 and name O5*  )                        
        (resi   32 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   32 and name O5*  )                        
        (resi   32 and name C5*  )                        
        (resi   32 and name C4*  )                        
        (resi   32 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   32 and name C5*  )                        
        (resi   32 and name C4*  )                        
        (resi   32 and name C3*  )                        
        (resi   32 and name O3*  )   1.0   83.45    20.0  2 {*delta*}                      
 
 assign (resi   32 and name C4*  )                        
        (resi   32 and name C3*  )                        
        (resi   32 and name O3*  )                        
        (resi   33 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   32 and name C3*  )                        
        (resi   32 and name O3*  )                        
        (resi   33 and name P    )                        
        (resi   33 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   32 and name O3*  )                        
        (resi   33 and name P    )                        
        (resi   33 and name O5*  )                        
        (resi   33 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   33 and name P    )                        
        (resi   33 and name O5*  )                        
        (resi   33 and name C5*  )                        
        (resi   33 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   33 and name O5*  )                        
        (resi   33 and name C5*  )                        
        (resi   33 and name C4*  )                        
        (resi   33 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   33 and name C5*  )                        
        (resi   33 and name C4*  )                        
        (resi   33 and name C3*  )                        
        (resi   33 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   33 and name C4*  )                        
        (resi   33 and name C3*  )                        
        (resi   33 and name O3*  )                        
        (resi   34 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   33 and name C3*  )                        
        (resi   33 and name O3*  )                        
        (resi   34 and name P    )                        
        (resi   34 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   40 and name O5*  )                        
        (resi   40 and name C5*  )                        
        (resi   40 and name C4*  )                        
        (resi   40 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   40 and name C5*  )                        
        (resi   40 and name C4*  )                        
        (resi   40 and name C3*  )                        
        (resi   40 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   40 and name C4*  )                        
        (resi   40 and name C3*  )                        
        (resi   40 and name O3*  )                        
        (resi   41 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   40 and name C3*  )                        
        (resi   40 and name O3*  )                        
        (resi   41 and name P    )                        
        (resi   41 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   40 and name O3*  )                        
        (resi   41 and name P    )                        
        (resi   41 and name O5*  )                        
        (resi   41 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   41 and name P    )                        
        (resi   41 and name O5*  )                        
        (resi   41 and name C5*  )                        
        (resi   41 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   41 and name O5*  )                        
        (resi   41 and name C5*  )                        
        (resi   41 and name C4*  )                        
        (resi   41 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   41 and name C5*  )                        
        (resi   41 and name C4*  )                        
        (resi   41 and name C3*  )                        
        (resi   41 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   41 and name C4*  )                        
        (resi   41 and name C3*  )                        
        (resi   41 and name O3*  )                        
        (resi   42 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   41 and name C3*  )                        
        (resi   41 and name O3*  )                        
        (resi   42 and name P    )                        
        (resi   42 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   41 and name O3*  )                        
        (resi   42 and name P    )                        
        (resi   42 and name O5*  )                        
        (resi   42 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   42 and name P    )                        
        (resi   42 and name O5*  )                        
        (resi   42 and name C5*  )                        
        (resi   42 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   42 and name O5*  )                        
        (resi   42 and name C5*  )                        
        (resi   42 and name C4*  )                        
        (resi   42 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   42 and name C5*  )                        
        (resi   42 and name C4*  )                        
        (resi   42 and name C3*  )                        
        (resi   42 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   42 and name C4*  )                        
        (resi   42 and name C3*  )                        
        (resi   42 and name O3*  )                        
        (resi   43 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   42 and name C3*  )                        
        (resi   42 and name O3*  )                        
        (resi   43 and name P    )                        
        (resi   43 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   42 and name O3*  )                        
        (resi   43 and name P    )                        
        (resi   43 and name O5*  )                        
        (resi   43 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   43 and name P    )                        
        (resi   43 and name O5*  )                        
        (resi   43 and name C5*  )                        
        (resi   43 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   43 and name O5*  )                        
        (resi   43 and name C5*  )                        
        (resi   43 and name C4*  )                        
        (resi   43 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   43 and name C5*  )                        
        (resi   43 and name C4*  )                        
        (resi   43 and name C3*  )                        
        (resi   43 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   44 and name O5*  )                        
        (resi   44 and name C5*  )                        
        (resi   44 and name C4*  )                        
        (resi   44 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   44 and name C5*  )                        
        (resi   44 and name C4*  )                        
        (resi   44 and name C3*  )                        
        (resi   44 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   44 and name C4*  )                        
        (resi   44 and name C3*  )                        
        (resi   44 and name O3*  )                        
        (resi   45 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   44 and name C3*  )                        
        (resi   44 and name O3*  )                        
        (resi   45 and name P    )                        
        (resi   45 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   44 and name O3*  )                        
        (resi   45 and name P    )                        
        (resi   45 and name O5*  )                        
        (resi   45 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   45 and name P    )                        
        (resi   45 and name O5*  )                        
        (resi   45 and name C5*  )                        
        (resi   45 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   45 and name O5*  )                        
        (resi   45 and name C5*  )                        
        (resi   45 and name C4*  )                        
        (resi   45 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   45 and name C5*  )                        
        (resi   45 and name C4*  )                        
        (resi   45 and name C3*  )                        
        (resi   45 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   45 and name C4*  )                        
        (resi   45 and name C3*  )                        
        (resi   45 and name O3*  )                        
        (resi   46 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   45 and name C3*  )                        
        (resi   45 and name O3*  )                        
        (resi   46 and name P    )                        
        (resi   46 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   45 and name O3*  )                        
        (resi   46 and name P    )                        
        (resi   46 and name O5*  )                        
        (resi   46 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   46 and name P    )                        
        (resi   46 and name O5*  )                        
        (resi   46 and name C5*  )                        
        (resi   46 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   46 and name O5*  )                        
        (resi   46 and name C5*  )                        
        (resi   46 and name C4*  )                        
        (resi   46 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   46 and name C5*  )                        
        (resi   46 and name C4*  )                        
        (resi   46 and name C3*  )                        
        (resi   46 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   46 and name C4*  )                        
        (resi   46 and name C3*  )                        
        (resi   46 and name O3*  )                        
        (resi   47 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   46 and name C3*  )                        
        (resi   46 and name O3*  )                        
        (resi   47 and name P    )                        
        (resi   47 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   46 and name O3*  )                        
        (resi   47 and name P    )                        
        (resi   47 and name O5*  )                        
        (resi   47 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   47 and name P    )                        
        (resi   47 and name O5*  )                        
        (resi   47 and name C5*  )                        
        (resi   47 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   47 and name O5*  )                        
        (resi   47 and name C5*  )                        
        (resi   47 and name C4*  )                        
        (resi   47 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   47 and name C5*  )                        
        (resi   47 and name C4*  )                        
        (resi   47 and name C3*  )                        
        (resi   47 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   47 and name C4*  )                        
        (resi   47 and name C3*  )                        
        (resi   47 and name O3*  )                        
        (resi   48 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   47 and name C3*  )                        
        (resi   47 and name O3*  )                        
        (resi   48 and name P    )                        
        (resi   48 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   47 and name O3*  )                        
        (resi   48 and name P    )                        
        (resi   48 and name O5*  )                        
        (resi   48 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   48 and name P    )                        
        (resi   48 and name O5*  )                        
        (resi   48 and name C5*  )                        
        (resi   48 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   53 and name O5*  )                        
        (resi   53 and name C5*  )                        
        (resi   53 and name C4*  )                        
        (resi   53 and name C3*  )   1.0   47.44    25.0  2 {*gamma*}
                                   
 assign (resi   53 and name C5*  )                        
        (resi   53 and name C4*  )                        
        (resi   53 and name C3*  )                        
        (resi   53 and name O3*  )   1.0   83.45    25.0  2 {*delta*}
                                   
 assign (resi   53 and name C4*  )                        
        (resi   53 and name C3*  )                        
        (resi   53 and name O3*  )                        
        (resi   54 and name P    )   1.0   -151.7   25.0  2 {*epsilon*}
                                   
 assign (resi   53 and name C3*  )                        
        (resi   53 and name O3*  )                        
        (resi   54 and name P    )                        
        (resi   54 and name O5*  )   1.0   -73.6    25.0  2 {*zeta*}
      
 assign (resi   53 and name O3*  )                        
        (resi   54 and name P    )                        
        (resi   54 and name O5*  )                        
        (resi   54 and name C5*  )   1.0   -62.1    25.0  2 {*alpha*}
                                                            
 assign (resi   54 and name P    )                        
        (resi   54 and name O5*  )                        
        (resi   54 and name C5*  )                        
        (resi   54 and name C4*  )   1.0   -179.9   25.0  2 {*beta*}
 
 assign (resi   54 and name O5*  )                        
        (resi   54 and name C5*  )                        
        (resi   54 and name C4*  )                        
        (resi   54 and name C3*  )   1.0   47.44    25.0  2 {*gamma*}
                                   
 assign (resi   54 and name C5*  )                        
        (resi   54 and name C4*  )                        
        (resi   54 and name C3*  )                        
        (resi   54 and name O3*  )   1.0   83.45    25.0  2 {*delta*}
                                   
 assign (resi   54 and name C4*  )                        
        (resi   54 and name C3*  )                        
        (resi   54 and name O3*  )                        
        (resi   55 and name P    )   1.0   -151.7   25.0  2 {*epsilon*}
                                   
 assign (resi   54 and name C3*  )                        
        (resi   54 and name O3*  )                        
        (resi   55 and name P    )                        
        (resi   55 and name O5*  )   1.0   -73.6    25.0  2 {*zeta*}

 assign (resi   54 and name O3*  )                        
        (resi   55 and name P    )                        
        (resi   55 and name O5*  )                        
        (resi   55 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   55 and name P    )                        
        (resi   55 and name O5*  )                        
        (resi   55 and name C5*  )                        
        (resi   55 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   55 and name O5*  )                        
        (resi   55 and name C5*  )                        
        (resi   55 and name C4*  )                        
        (resi   55 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   55 and name C5*  )                        
        (resi   55 and name C4*  )                        
        (resi   55 and name C3*  )                        
        (resi   55 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   55 and name C4*  )                        
        (resi   55 and name C3*  )                        
        (resi   55 and name O3*  )                        
        (resi   56 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   55 and name C3*  )                        
        (resi   55 and name O3*  )                        
        (resi   56 and name P    )                        
        (resi   56 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   55 and name O3*  )                        
        (resi   56 and name P    )                        
        (resi   56 and name O5*  )                        
        (resi   56 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   56 and name P    )                        
        (resi   56 and name O5*  )                        
        (resi   56 and name C5*  )                        
        (resi   56 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   56 and name O5*  )                        
        (resi   56 and name C5*  )                        
        (resi   56 and name C4*  )                        
        (resi   56 and name C3*  )   1.0   47.44   20.0  2 {*gamma*}
                                   
 assign (resi   56 and name C5*  )                        
        (resi   56 and name C4*  )                        
        (resi   56 and name C3*  )                        
        (resi   56 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   56 and name C4*  )                        
        (resi   56 and name C3*  )                        
        (resi   56 and name O3*  )                        
        (resi   57 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   56 and name C3*  )                        
        (resi   56 and name O3*  )                        
        (resi   57 and name P    )                        
        (resi   57 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   56 and name O3*  )                        
        (resi   57 and name P    )                        
        (resi   57 and name O5*  )                        
        (resi   57 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   57 and name P    )                        
        (resi   57 and name O5*  )                        
        (resi   57 and name C5*  )                        
        (resi   57 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   57 and name O5*  )                        
        (resi   57 and name C5*  )                        
        (resi   57 and name C4*  )                        
        (resi   57 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   57 and name C5*  )                        
        (resi   57 and name C4*  )                        
        (resi   57 and name C3*  )                        
        (resi   57 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   57 and name C4*  )                        
        (resi   57 and name C3*  )                        
        (resi   57 and name O3*  )                        
        (resi   58 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}        

 assign  ( resi 57 and name C3*  )                        
         ( resi 57 and name O3*  )                        
         ( resi 58 and name P    )                        
         ( resi 58 and name O5*  )   3.0   -73.6    20.0  2 {*zeta*}

 assign  ( resi 57 and name O3*  )                        
         ( resi 58 and name P    )                        
         ( resi 58 and name O5*  )                        
         ( resi 58 and name C5*  )   3.0   -62.1    20.0  2 {*alpha*}    

 assign (resi   58 and name P    )                        
        (resi   58 and name O5*  )                        
        (resi   58 and name C5*  )                        
        (resi   58 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   58 and name O5*  )                        
        (resi   58 and name C5*  )                        
        (resi   58 and name C4*  )                        
        (resi   58 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   58 and name C5*  )                        
        (resi   58 and name C4*  )                        
        (resi   58 and name C3*  )                        
        (resi   58 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   58 and name C4*  )                        
        (resi   58 and name C3*  )                        
        (resi   58 and name O3*  )                        
        (resi   59 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   58 and name C3*  )                        
        (resi   58 and name O3*  )                        
        (resi   59 and name P    )                        
        (resi   59 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   58 and name O3*  )                        
        (resi   59 and name P    )                        
        (resi   59 and name O5*  )                        
        (resi   59 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   59 and name P    )                        
        (resi   59 and name O5*  )                        
        (resi   59 and name C5*  )                        
        (resi   59 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   59 and name O5*  )                        
        (resi   59 and name C5*  )                        
        (resi   59 and name C4*  )                        
        (resi   59 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   59 and name C5*  )                        
        (resi   59 and name C4*  )                        
        (resi   59 and name C3*  )                        
        (resi   59 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                  
 assign (resi   59 and name C4*  )                        
        (resi   59 and name C3*  )                        
        (resi   59 and name O3*  )                        
        (resi   60 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   59 and name C3*  )                        
        (resi   59 and name O3*  )                        
        (resi   60 and name P    )                        
        (resi   60 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   59 and name O3*  )                        
        (resi   60 and name P    )                        
        (resi   60 and name O5*  )                        
        (resi   60 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   60 and name P    )                        
        (resi   60 and name O5*  )                        
        (resi   60 and name C5*  )                        
        (resi   60 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   60 and name O5*  )                        
        (resi   60 and name C5*  )                        
        (resi   60 and name C4*  )                        
        (resi   60 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   60 and name C5*  )                        
        (resi   60 and name C4*  )                        
        (resi   60 and name C3*  )                        
        (resi   60 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   60 and name C4*  )                        
        (resi   60 and name C3*  )                        
        (resi   60 and name O3*  )                        
        (resi   61 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   60 and name C3*  )                        
        (resi   60 and name O3*  )                        
        (resi   61 and name P    )                        
        (resi   61 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   60 and name O3*  )                        
        (resi   61 and name P    )                        
        (resi   61 and name O5*  )                        
        (resi   61 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   61 and name P    )                        
        (resi   61 and name O5*  )                        
        (resi   61 and name C5*  )                        
        (resi   61 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   61 and name O5*  )                        
        (resi   61 and name C5*  )                        
        (resi   61 and name C4*  )                        
        (resi   61 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   61 and name C5*  )                        
        (resi   61 and name C4*  )                        
        (resi   61 and name C3*  )                        
        (resi   61 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   61 and name C4*  )                        
        (resi   61 and name C3*  )                        
        (resi   61 and name O3*  )                        
        (resi   62 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   61 and name C3*  )                        
        (resi   61 and name O3*  )                        
        (resi   62 and name P    )                        
        (resi   62 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   61 and name O3*  )                        
        (resi   62 and name P    )                        
        (resi   62 and name O5*  )                        
        (resi   62 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                 
 assign (resi   62 and name P    )                        
        (resi   62 and name O5*  )                        
        (resi   62 and name C5*  )                        
        (resi   62 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   62 and name O5*  )                        
        (resi   62 and name C5*  )                        
        (resi   62 and name C4*  )                        
        (resi   62 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   62 and name C5*  )                        
        (resi   62 and name C4*  )                        
        (resi   62 and name C3*  )                        
        (resi   62 and name O3*  )   1.0   83.45    20.0  2 {*delta*}                                      
 assign (resi   67 and name O5*  )                        
        (resi   67 and name C5*  )                        
        (resi   67 and name C4*  )                        
        (resi   67 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   67 and name C5*  )                        
        (resi   67 and name C4*  )                        
        (resi   67 and name C3*  )                        
        (resi   67 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   67 and name C4*  )                        
        (resi   67 and name C3*  )                        
        (resi   67 and name O3*  )                        
        (resi   68 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   67 and name C3*  )                        
        (resi   67 and name O3*  )                        
        (resi   68 and name P    )                        
        (resi   68 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   67 and name O3*  )                        
        (resi   68 and name P    )                        
        (resi   68 and name O5*  )                        
        (resi   68 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   68 and name P    )                        
        (resi   68 and name O5*  )                        
        (resi   68 and name C5*  )                        
        (resi   68 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   68 and name O5*  )                        
        (resi   68 and name C5*  )                        
        (resi   68 and name C4*  )                        
        (resi   68 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   68 and name C5*  )                        
        (resi   68 and name C4*  )                        
        (resi   68 and name C3*  )                        
        (resi   68 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   68 and name C4*  )                        
        (resi   68 and name C3*  )                        
        (resi   68 and name O3*  )                        
        (resi   69 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   68 and name C3*  )                        
        (resi   68 and name O3*  )                        
        (resi   69 and name P    )                        
        (resi   69 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   68 and name O3*  )                        
        (resi   69 and name P    )                        
        (resi   69 and name O5*  )                        
        (resi   69 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   69 and name P    )                        
        (resi   69 and name O5*  )                        
        (resi   69 and name C5*  )                        
        (resi   69 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   69 and name O5*  )                        
        (resi   69 and name C5*  )                        
        (resi   69 and name C4*  )                        
        (resi   69 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   69 and name C5*  )                        
        (resi   69 and name C4*  )                        
        (resi   69 and name C3*  )                        
        (resi   69 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
  
 assign (resi   69 and name C4*  )                        
        (resi   69 and name C3*  )                        
        (resi   69 and name O3*  )                        
        (resi   70  and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   69 and name C3*  )                        
        (resi   69 and name O3*  )                        
        (resi   70 and name P    )                        
        (resi   70 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                          
 assign (resi   69 and name O3*  )                        
        (resi   70 and name P    )                        
        (resi   70 and name O5*  )                        
        (resi   70 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   70 and name P    )                        
        (resi   70 and name O5*  )                        
        (resi   70 and name C5*  )                        
        (resi   70 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                  
 assign (resi   70 and name O5*  )                        
        (resi   70 and name C5*  )                        
        (resi   70 and name C4*  )                        
        (resi   70 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   70 and name C5*  )                        
        (resi   70 and name C4*  )                        
        (resi   70 and name C3*  )                        
        (resi   70 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   70 and name C4*  )                        
        (resi   70 and name C3*  )                        
        (resi   70 and name O3*  )                        
        (resi   71 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   70 and name C3*  )                        
        (resi   70 and name O3*  )                        
        (resi   71 and name P    )                        
        (resi   71 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   70 and name O3*  )                        
        (resi   71 and name P    )                        
        (resi   71 and name O5*  )                        
        (resi   71 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                
 assign (resi   71 and name P    )                        
        (resi   71 and name O5*  )                        
        (resi   71 and name C5*  )                        
        (resi   71 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   71 and name O5*  )                        
        (resi   71 and name C5*  )                        
        (resi   71 and name C4*  )                        
        (resi   71 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   71 and name C5*  )                        
        (resi   71 and name C4*  )                        
        (resi   71 and name C3*  )                        
        (resi   71 and name O3*  )   1.0   83.45    20.0  2 {*delta*}        

 assign (resi   71 and name C4*  )                        
        (resi   71 and name C3*  )                        
        (resi   71 and name O3*  )                        
        (resi   72 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   71 and name C3*  )                        
        (resi   71 and name O3*  )                        
        (resi   72 and name P    )                        
        (resi   72 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   71 and name O3*  )                        
        (resi   72 and name P    )                        
        (resi   72 and name O5*  )                        
        (resi   72 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   72 and name P    )                        
        (resi   72 and name O5*  )                        
        (resi   72 and name C5*  )                        
        (resi   72 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                  
 assign (resi   72 and name O5*  )                        
        (resi   72 and name C5*  )                        
        (resi   72 and name C4*  )                        
        (resi   72 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   72 and name C5*  )                        
        (resi   72 and name C4*  )                        
        (resi   72 and name C3*  )                        
        (resi   72 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   72 and name C4*  )                        
        (resi   72 and name C3*  )                        
        (resi   72 and name O3*  )                        
        (resi   73 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   72 and name C3*  )                        
        (resi   72 and name O3*  )                        
        (resi   73 and name P    )                        
        (resi   73 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   72 and name O3*  )                        
        (resi   73 and name P    )                        
        (resi   73 and name O5*  )                        
        (resi   73 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                  
 assign (resi   73 and name P    )                        
        (resi   73 and name O5*  )                        
        (resi   73 and name C5*  )                        
        (resi   73 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   73 and name O5*  )                        
        (resi   73 and name C5*  )                        
        (resi   73 and name C4*  )                        
        (resi   73 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   73 and name C5*  )                        
        (resi   73 and name C4*  )                        
        (resi   73 and name C3*  )                        
        (resi   73 and name O3*  )   1.0   83.45    20.0  2 {*delta*}   

 assign (resi   73 and name C4*  )                        
        (resi   73 and name C3*  )                        
        (resi   73 and name O3*  )                        
        (resi   74 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   73 and name C3*  )                        
        (resi   73 and name O3*  )                        
        (resi   74 and name P    )                        
        (resi   74 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                           
 assign (resi   73 and name O3*  )                        
        (resi   74 and name P    )                        
        (resi   74 and name O5*  )                        
        (resi   74 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                 
 assign (resi   74 and name P    )                        
        (resi   74 and name O5*  )                        
        (resi   74 and name C5*  )                        
        (resi   74 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   74 and name O5*  )                        
        (resi   74 and name C5*  )                        
        (resi   74 and name C4*  )                        
        (resi   74 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                  
 assign (resi   74 and name C5*  )                        
        (resi   74 and name C4*  )                        
        (resi   74 and name C3*  )                        
        (resi   74 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   74 and name C4*  )                        
        (resi   74 and name C3*  )                        
        (resi   74 and name O3*  )                        
        (resi   75 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   74 and name C3*  )                        
        (resi   74 and name O3*  )                        
        (resi   75 and name P    )                        
        (resi   75 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   74 and name O3*  )                        
        (resi   75 and name P    )                        
        (resi   75 and name O5*  )                        
        (resi   75 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                 
 assign (resi   75 and name O5*  )                        
        (resi   75 and name C5*  )                        
        (resi   75 and name C4*  )                        
        (resi   75 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   75 and name C5*  )                        
        (resi   75 and name C4*  )                        
        (resi   75 and name C3*  )                        
        (resi   75 and name O3*  )   1.0   83.45    20.0  2 {*delta*}                      
 
 assign (resi   75 and name C4*  )                        
        (resi   75 and name C3*  )                        
        (resi   75 and name O3*  )                        
        (resi   76 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   75 and name C3*  )                        
        (resi   75 and name O3*  )                        
        (resi   75 and name P    )                        
        (resi   75 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                            
 assign (resi   75 and name O3*  )                        
        (resi   76 and name P    )                        
        (resi   76 and name O5*  )                        
        (resi   76 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   76 and name P    )                        
        (resi   76 and name O5*  )                        
        (resi   76 and name C5*  )                        
        (resi   76 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   76 and name O5*  )                        
        (resi   76 and name C5*  )                        
        (resi   76 and name C4*  )                        
        (resi   76 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   76 and name C5*  )                        
        (resi   76 and name C4*  )                        
        (resi   76 and name C3*  )                        
        (resi   76 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   76 and name C4*  )                        
        (resi   76 and name C3*  )                        
        (resi   76 and name O3*  )                        
        (resi   77 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   76 and name C3*  )                        
        (resi   76 and name O3*  )                        
        (resi   77 and name P    )                        
        (resi   77 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}

 assign (resi   83 and name O5*  )                        
        (resi   83 and name C5*  )                        
        (resi   83 and name C4*  )                        
        (resi   83 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   83 and name C5*  )                        
        (resi   83 and name C4*  )                        
        (resi   83 and name C3*  )                        
        (resi   83 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   83 and name C4*  )                        
        (resi   83 and name C3*  )                        
        (resi   83 and name O3*  )                        
        (resi   84 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   83 and name C3*  )                        
        (resi   83 and name O3*  )                        
        (resi   84 and name P    )                        
        (resi   84 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                   
 assign (resi   83 and name O3*  )                        
        (resi   84 and name P    )                        
        (resi   84 and name O5*  )                        
        (resi   84 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                 
 assign (resi   84 and name P    )                        
        (resi   84 and name O5*  )                        
        (resi   84 and name C5*  )                        
        (resi   84 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   84 and name O5*  )                        
        (resi   84 and name C5*  )                        
        (resi   84 and name C4*  )                        
        (resi   84 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   84 and name C5*  )                        
        (resi   84 and name C4*  )                        
        (resi   84 and name C3*  )                        
        (resi   84 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   84 and name C4*  )                        
        (resi   84 and name C3*  )                        
        (resi   84 and name O3*  )                        
        (resi   85 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   84 and name C3*  )                        
        (resi   84 and name O3*  )                        
        (resi   85 and name P    )                        
        (resi   85 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                                     
 assign (resi   84 and name O3*  )                        
        (resi   85 and name P    )                        
        (resi   85 and name O5*  )                        
        (resi   85 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   85 and name P    )                        
        (resi   85 and name O5*  )                        
        (resi   85 and name C5*  )                        
        (resi   85 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   85 and name O5*  )                        
        (resi   85 and name C5*  )                        
        (resi   85 and name C4*  )                        
        (resi   85 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   85 and name C5*  )                        
        (resi   85 and name C4*  )                        
        (resi   85 and name C3*  )                        
        (resi   85 and name O3*  )   1.0   83.45    20.0  2 {*delta*}
                                   
 assign (resi   85 and name C4*  )                        
        (resi   85 and name C3*  )                        
        (resi   85 and name O3*  )                        
        (resi   86 and name P    )   1.0   -151.7   20.0  2 {*epsilon*}
                                   
 assign (resi   85 and name C3*  )                        
        (resi   85 and name O3*  )                        
        (resi   86 and name P    )                        
        (resi   86 and name O5*  )   1.0   -73.6    20.0  2 {*zeta*}
                                                                    
 assign (resi   85 and name O3*  )                        
        (resi   86 and name P    )                        
        (resi   86 and name O5*  )                        
        (resi   86 and name C5*  )   1.0   -62.1    20.0  2 {*alpha*}
                                   
 assign (resi   86 and name P    )                        
        (resi   86 and name O5*  )                        
        (resi   86 and name C5*  )                        
        (resi   86 and name C4*  )   1.0   -179.9   20.0  2 {*beta*}
                                   
 assign (resi   86 and name O5*  )                        
        (resi   86 and name C5*  )                        
        (resi   86 and name C4*  )                        
        (resi   86 and name C3*  )   1.0   47.44    20.0  2 {*gamma*}
                                   
 assign (resi   86 and name C5*  )                        
        (resi   86 and name C4*  )                        
        (resi   86 and name C3*  )                        
        (resi   86 and name O3*  )   1.0   83.45    20.0  2 {*delta*}                                  
{*dihedral restraints for chi angle to specify syn or anti*}

 assign (resi   1 and name O4*  )                        
        (resi   1 and name C1*  )                        
        (resi   1 and name N9   )                        
        (resi   1 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi   2 and name O4*  )                        
        (resi   2 and name C1*  )                        
        (resi   2 and name N9   )                          
        (resi   2 and name C4   )   1.0   -160.0  20.0  2 

 assign (resi   3 and name O4*  )                        
        (resi   3 and name C1*  )                        
        (resi   3 and name N9   )                        
        (resi   3 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi   4 and name O4*  )                        
        (resi   4 and name C1*  )                        
        (resi   4 and name N9   )                        
        (resi   4 and name C4   )   1.0   -160.0  20.0  2

 assign (resi   5 and name O4*  )                        
        (resi   5 and name C1*  )                        
        (resi   5 and name N1   )                        
        (resi   5 and name C2   )   1.0   -160.0  20.0  2
                                                                    
 assign (resi   8 and name O4*  )                        
        (resi   8 and name C1*  )                        
        (resi   8 and name N9   )                        
        (resi   8 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi   9 and name O4*  )                        
        (resi   9 and name C1*  )                        
        (resi   9 and name N9   )                        
        (resi   9 and name C4   )   1.0   -160.0  20.0  2                                   
 
 assign (resi  10 and name O4*  )                        
        (resi  10 and name C1*  )                        
        (resi  10 and name N9   )                        
        (resi  10 and name C4   )   1.0   -160.0  20.0  2


 assign (resi  11 and name O4*  )                        
        (resi  11 and name C1*  )                        
        (resi  11 and name N9   )                        
        (resi  11 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi  12 and name O4*  )                        
        (resi  12 and name C1*  )                        
        (resi  12 and name N9   )                        
        (resi  12 and name C4   )   1.0   -160.0  20.0  2
                                                                                                        
 assign (resi  13 and name O4*  )                        
        (resi  13 and name C1*  )                        
        (resi  13 and name N9   )                        
        (resi  13 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi  14 and name O4*  )                        
        (resi  14 and name C1*  )                        
        (resi  14 and name N9   )                        
        (resi  14 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi  15 and name O4*  )                        
        (resi  15 and name C1*  )                        
        (resi  15 and name N1   )                        
        (resi  15 and name C2   )   1.0   -160.0   20.0  2
                                   
 assign (resi  16 and name O4*  )                        
        (resi  16 and name C1*  )                        
        (resi  16 and name N1   )                        
        (resi  16 and name C2   )   1.0   -160.0  20.0  2
                                   
 assign (resi  17 and name O4*  )                        
        (resi  17 and name C1*  )                        
        (resi  17 and name N9   )                        
        (resi  17 and name C4   )   1.0   -160.0  20.0  2

 assign (resi  18 and name O4*  )                        
        (resi  18 and name C1*  )                        
        (resi  18 and name N9   )                        
        (resi  18 and name C4   )   1.0   -160.0  20.0  2
                                                                                                 
 assign (resi  19 and name O4*  )                        
        (resi  19 and name C1*  )                        
        (resi  19 and name N9   )                        
        (resi  19 and name C4   )   1.0   -160.0  20.0  2 
 
 assign (resi  20 and name O4*  )                        
        (resi  20 and name C1*  )                        
        (resi  20 and name N9   )                        
        (resi  20 and name C4   )   1.0   -160.0  25.0  2 
 
 assign (resi  21 and name O4*  )                        
        (resi  21 and name C1*  )                        
        (resi  21 and name N9   )                        
        (resi  21 and name C4   )   1.0   -160.0  25.0  2 

 assign (resi  22 and name O4*  )                        
        (resi  22 and name C1*  )                        
        (resi  22 and name N9   )                        
        (resi  22 and name C4   )   1.0   -160.0  25.0  2 

 assign (resi   23 and name O4*  )                        
        (resi   23 and name C1*  )                        
        (resi   23 and name N9   )                        
        (resi   23 and name C4   )   1.0   -160.0  25.0  2
                                   
 assign (resi   24 and name O4*  )                        
        (resi   24 and name C1*  )                        
        (resi   24 and name N1   )                        
        (resi   24 and name C2   )   1.0   -160.0  20.0  2

 assign (resi   25 and name O4*  )                        
        (resi   25 and name C1*  )                        
        (resi   25 and name N1   )                        
        (resi   25 and name C2   )   1.0   -160.0  20.0  2
                                                          
 assign (resi   26 and name O4*  )                        
        (resi   26 and name C1*  )                        
        (resi   26 and name N1   )                        
        (resi   26 and name C2   )   1.0   -160.0  20.0  2
                                   
 assign (resi   27 and name O4*  )                        
        (resi   27 and name C1*  )                        
        (resi   27 and name N9   )                        
        (resi   27 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi   28 and name O4*  )                        
        (resi   28 and name C1*  )                        
        (resi   28 and name N9   )                        
        (resi   28 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi   29 and name O4*  )                        
        (resi   29 and name C1*  )                        
        (resi   29 and name N1   )                        
        (resi   29 and name C2   )   1.0   -160.0  10.0  2                
 
 assign (resi   30 and name O4*  )                        
        (resi   30 and name C1*  )                        
        (resi   30 and name N1   )                        
        (resi   30 and name C2   )   1.0   -160.0  15.0  2
 
 assign (resi   31 and name O4*  )                        
        (resi   31 and name C1*  )                        
        (resi   31 and name N1   )                        
        (resi   31 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   32 and name O4*  )                        
        (resi   32 and name C1*  )                        
        (resi   32 and name N1   )                          
        (resi   32 and name C2   )   1.0   -160.0  15.0  2 

 assign (resi   33 and name O4*  )                        
        (resi   33 and name C1*  )                        
        (resi   33 and name N1   )                        
        (resi   33 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   34 and name O4*  )                        
        (resi   34 and name C1*  )                        
        (resi   34 and name N1   )                        
        (resi   34 and name C2   )   1.0   -160.0  15.0  2

 assign (resi   35 and name O4*  )                        
        (resi   35 and name C1*  )                        
        (resi   35 and name N1   )                        
        (resi   35 and name C2   )   1.0   -160.0  15.0  2
                                                          
 assign (resi   36 and name O4*  )                        
        (resi   36 and name C1*  )                        
        (resi   36 and name N1   )                        
        (resi   36 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   38 and name O4*  )                        
        (resi   38 and name C1*  )                        
        (resi   38 and name N9   )                        
        (resi   38 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi   39 and name O4*  )                        
        (resi   39 and name C1*  )                        
        (resi   39 and name N9   )                        
        (resi   39 and name C4   )   1.0   -160.0  10.0  2                 
 assign (resi   40 and name O4*  )                        
        (resi   40 and name C1*  )                        
        (resi   40 and name N1   )                        
        (resi   40 and name C2   )   1.0   -160.0  15.0  2
 
 assign (resi   41 and name O4*  )                        
        (resi   41 and name C1*  )                        
        (resi   41 and name N1   )                        
        (resi   41 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   42 and name O4*  )                        
        (resi   42 and name C1*  )                        
        (resi   42 and name N1   )                          
        (resi   42 and name C2   )   1.0   -160.0  15.0  2 

 assign (resi   43 and name O4*  )                        
        (resi   43 and name C1*  )                        
        (resi   43 and name N1   )                        
        (resi   43 and name C2   )   1.0   -160.0  15.0  2                                  

assign  (resi  44 and name O4*  )                        
        (resi  44 and name C1*  )                        
        (resi  44 and name N9   )                        
        (resi  44 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi  45 and name O4*  )                        
        (resi  45 and name C1*  )                        

        
        (resi  45 and name N9   )                          
        (resi  45 and name C4   )   1.0   -160.0  15.0  2 

 assign (resi  46 and name O4*  )                        
        (resi  46 and name C1*  )                        
        (resi  46 and name N9   )                        
        (resi  46 and name C4   )   1.0   -160.0  15.0  2
                                  
 assign (resi  47 and name O4*  )                        
        (resi  47 and name C1*  )                        
        (resi  47 and name N9   )                        
        (resi  47 and name C4   )   1.0   -160.0  15.0  2

 assign (resi  48 and name O4*  )                        
        (resi  48 and name C1*  )                        
        (resi  48 and name N1   )                        
        (resi  48 and name C2   )   1.0   -160.0  15.0  2
                                                                                  
 assign (resi  51 and name O4*  )                        
        (resi  51 and name C1*  )                        
        (resi  51 and name N9   )                        
        (resi  51 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi  52 and name O4*  )                        
        (resi  52 and name C1*  )                        
        (resi  52 and name N9   )                        
        (resi  52 and name C4   )   1.0   -160.0  15.0  2                                   

 assign (resi  53 and name O4*  )                        
        (resi  53 and name C1*  )                        
        (resi  53 and name N9   )                        
        (resi  53 and name C4   )   1.0   -160.0  20.0  2


 assign (resi  54 and name O4*  )                        
        (resi  54 and name C1*  )                        
        (resi  54 and name N9   )                        
        (resi  54 and name C4   )   1.0   -160.0  30.0  2
                                   
 assign (resi  55 and name O4*  )                        
        (resi  55 and name C1*  )                        
        (resi  55 and name N9   )                        
        (resi  55 and name C4   )   1.0   -160.0  20.0  2
                                                                                                        
 assign (resi  56 and name O4*  )                        
        (resi  56 and name C1*  )                        
        (resi  56 and name N9   )                        
        (resi  56 and name C4   )   1.0   -160.0  20.0  2
                                   
 assign (resi  57 and name O4*  )                        
        (resi  57 and name C1*  )                        
        (resi  57 and name N9   )                        
        (resi  57 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi  58 and name O4*  )                        
        (resi  58 and name C1*  )                        
        (resi  58 and name N1   )                        
        (resi  58 and name C2   )   1.0   -160.0   15.0  2
                                  
 assign (resi  59 and name O4*  )                        
        (resi  59 and name C1*  )                        
        (resi  59 and name N1   )                        
        (resi  59 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi  60 and name O4*  )                        
        (resi  60 and name C1*  )                        
        (resi  60 and name N9   )                        
        (resi  60 and name C4   )   1.0   -160.0  15.0  2

 assign (resi  61 and name O4*  )                        
        (resi  61 and name C1*  )                        
        (resi  61 and name N9   )                        
        (resi  61 and name C4   )   1.0   -160.0  15.0  2
                                                                                                 
 assign (resi  62 and name O4*  )                        
        (resi  62 and name C1*  )                        
        (resi  62 and name N9   )                        
        (resi  62 and name C4   )   1.0   -160.0  15.0  2 
 
 assign (resi  63 and name O4*  )                        
        (resi  63 and name C1*  )                        
        (resi  63 and name N9   )                        
        (resi  63 and name C4   )   1.0   -160.0  15.0  2 
 
 assign (resi  64 and name O4*  )                        
        (resi  64 and name C1*  )                        
        (resi  64 and name N9   )                        
        (resi  64 and name C4   )   1.0   -160.0  15.0  2 

 assign (resi  65 and name O4*  )                        
        (resi  65 and name C1*  )                        
        (resi  65 and name N9   )                        
        (resi  65 and name C4   )   1.0   -160.0  15.0  2 

 assign (resi   66 and name O4*  )                        
        (resi   66 and name C1*  )                        
        (resi   66 and name N9   )                        
        (resi   66 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi   67 and name O4*  )                        
        (resi   67 and name C1*  )                        
        (resi   67 and name N1   )                        
        (resi   67 and name C2   )   1.0   -160.0  15.0  2

 assign (resi   68 and name O4*  )                        
        (resi   68 and name C1*  )                        
        (resi   68 and name N1   )                        
        (resi   68 and name C2   )   1.0   -160.0  15.0  2
                                                          
 assign (resi   69 and name O4*  )                        
        (resi   69 and name C1*  )                        
        (resi   69 and name N1   )                        
        (resi   69 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   70 and name O4*  )                        
        (resi   70 and name C1*  )                        
        (resi   70 and name N9   )                        
        (resi   70 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi   71 and name O4*  )                        
        (resi   71 and name C1*  )                        
        (resi   71 and name N9   )                        
        (resi   71 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi   72 and name O4*  )                        
        (resi   72 and name C1*  )                        
        (resi   72 and name N1   )                        
        (resi   72 and name C2   )   1.0   -160.0  10.0  2                

 assign (resi   73 and name O4*  )                        
        (resi   73 and name C1*  )                        
        (resi   73 and name N1   )                        
        (resi   73 and name C2   )   1.0   -160.0  15.0  2
 
 assign (resi   74 and name O4*  )                        
        (resi   74 and name C1*  )                        
        (resi   74 and name N1   )                        
        (resi   74 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   75 and name O4*  )                        
        (resi   75 and name C1*  )                        
        (resi   75 and name N1   )                          
        (resi   75 and name C2   )   1.0   -160.0  15.0  2 

 assign (resi   76 and name O4*  )                        
        (resi   76 and name C1*  )                        
        (resi   76 and name N1   )                        
        (resi   76 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   77 and name O4*  )                        
        (resi   77 and name C1*  )                        
        (resi   77 and name N1   )                        
        (resi   77 and name C2   )   1.0   -160.0  15.0  2

 assign (resi   78 and name O4*  )                        
        (resi   78 and name C1*  )                        
        (resi   78 and name N1   )                        
        (resi   78 and name C2   )   1.0   -160.0  15.0  2
                                                          
 assign (resi   79 and name O4*  )                        
        (resi   79 and name C1*  )                        
        (resi   79 and name N1   )                        
        (resi   79 and name C2   )   1.0   -160.0  15.0  2
                                                               
 assign (resi   81 and name O4*  )                        
        (resi   81 and name C1*  )                        
        (resi   81 and name N9   )                        
        (resi   81 and name C4   )   1.0   -160.0  15.0  2
                                   
 assign (resi   82 and name O4*  )                        
        (resi   82 and name C1*  )                        
        (resi   82 and name N9   )                        
        (resi   82 and name C4   )   1.0   -160.0  10.0  2                

 assign (resi   83 and name O4*  )                        
        (resi   83 and name C1*  )                        
        (resi   83 and name N1   )                        
        (resi   83 and name C2   )   1.0   -160.0  15.0  2
 
 assign (resi   84 and name O4*  )                        
        (resi   84 and name C1*  )                        
        (resi   84 and name N1   )                        
        (resi   84 and name C2   )   1.0   -160.0  15.0  2
                                   
 assign (resi   85 and name O4*  )                        
        (resi   85 and name C1*  )                        
        (resi   85 and name N1   )                          
        (resi   85 and name C2   )   1.0   -160.0  15.0  2 

 assign (resi   86 and name O4*  )                        
        (resi   86 and name C1*  )                        
        (resi   86 and name N1   )                        
        (resi   86 and name C2   )   1.0   -160.0  15.0  2   

{*dihedral angles v1 and v2 indicating North or South sugar*}
{*conformation - taken from 1*-2* couplings in VSI RNA*}

  assign (resi   1 and name O4*  )                        
         (resi   1 and name C1*  )                        
         (resi   1 and name C2*  )                        
         (resi   1 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   1 and name C1*  )                        
         (resi   1 and name C2*  )                        
         (resi   1 and name C3*  )                        
         (resi   1 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   2 and name O4*  )                        
         (resi   2 and name C1*  )                        
         (resi   2 and name C2*  )                        
         (resi   2 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   2 and name C1*  )                        
         (resi   2 and name C2*  )                        
         (resi   2 and name C3*  )                        
         (resi   2 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   3 and name O4*  )                        
         (resi   3 and name C1*  )                        
         (resi   3 and name C2*  )                        
         (resi   3 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   3 and name C1*  )                        
         (resi   3 and name C2*  )                        
         (resi   3 and name C3*  )                        
         (resi   3 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
  assign (resi   4 and name O4*  )                        
         (resi   4 and name C1*  )                        
         (resi   4 and name C2*  )                        
         (resi   4 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   4 and name C1*  )                        
         (resi   4 and name C2*  )                        
         (resi   4 and name C3*  )                        
         (resi   4 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign (resi   5 and name O4*  )                        
        (resi   5 and name C1*  )                        
        (resi   5 and name C2*  )                        
        (resi   5 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   5 and name C1*  )                        
        (resi   5 and name C2*  )                        
        (resi   5 and name C3*  )                        
        (resi   5 and name C4*  )   1.0   37.0   15.0  2 {*North*}

 assign (resi   6 and name O4*  )                        
        (resi   6 and name C1*  )                        
        (resi   6 and name C2*  )                        
        (resi   6 and name C3*  )   1.0  25.0  15.0  2
                                  
 assign (resi   6 and name C1*  )                        
        (resi   6 and name C2*  )                        
        (resi   6 and name C3*  )                        
        (resi   6 and name C4*  )   1.0    -35.0    15.0  2 {*South*}

 assign (resi   8 and name O4*  )                        
        (resi   8 and name C1*  )                        
        (resi   8 and name C2*  )                        
        (resi   8 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   8 and name C1*  )                        
        (resi   8 and name C2*  )                        
        (resi   8 and name C3*  )                        
        (resi   8 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   9 and name O4*  )                        
         (resi   9 and name C1*  )                        
         (resi   9 and name C2*  )                        
         (resi   9 and name C3*  )   1.0   -25.0   15.0  2

                                   
  assign (resi   9 and name C1*  )                        
         (resi   9 and name C2*  )                        
         (resi   9 and name C3*  )                        
         (resi   9 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   10 and name O4*  )                        
         (resi  10 and name C1*  )                        
         (resi  10 and name C2*  )                        
         (resi  10 and name C3*  )   1.0   -25.0    15.0  2
                                  
 assign (resi   10 and name C1*  )                        
         (resi  10 and name C2*  )                        
         (resi  10 and name C3*  )                        
         (resi  10 and name C4*  )   1.0    37.0    15.0  2 {*North*}
  
 assign  (resi  11 and name O4*  )                        
         (resi  11 and name C1*  )                        
         (resi  11 and name C2*  )                        
         (resi  11 and name C3*  )   1.0   -35.0   15.0  2
                                  
 assign  (resi  11 and name C1*  )                        
         (resi  11 and name C2*  )                        
         (resi  11 and name C3*  )                        
         (resi  11 and name C4*  )   1.0    25.0    15.0  2 {*North*}

 assign  (resi  12 and name O4*  )                        
         (resi  12 and name C1*  )                        
         (resi  12 and name C2*  )                        
         (resi  12 and name C3*  )   1.0   -35.0   15.0  2
                                  
 assign  (resi  12 and name C1*  )                        
         (resi  12 and name C2*  )                        
         (resi  12 and name C3*  )                        
         (resi  12 and name C4*  )   1.0    25.0    15.0  2 {*North*}
   
 assign  (resi  13 and name O4*  )                        
         (resi  13 and name C1*  )                        
         (resi  13 and name C2*  )                        
         (resi  13 and name C3*  )   1.0   -35.0   15.0  2
                                  
 assign  (resi  13 and name C1*  )                        
         (resi  13 and name C2*  )                        
         (resi  13 and name C3*  )                        
         (resi  13 and name C4*  )   1.0    25.0    15.0  2 {*North*}
                                                             
 assign (resi  14 and name O4*  )
        (resi  14 and name C1*  )
        (resi  14 and name C2*  )
        (resi  14 and name C3*  )   1.0    -25.0    15.0  2

 assign (resi  14 and name C1*  )                        
        (resi  14 and name C2*  )                        
        (resi  14 and name C3*  )                        
        (resi  14 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi  15 and name O4*  )                        
        (resi  15 and name C1*  )                        
        (resi  15 and name C2*  )                        
        (resi  15 and name C3*  )   1.0   -25.0    15.0  2
                                   
 assign (resi  15 and name C1*  )                        
        (resi  15 and name C2*  )                        
        (resi  15 and name C3*  )                        
        (resi  15 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi  16 and name O4*  )                        
        (resi  16 and name C1*  )                        
        (resi  16 and name C2*  )                        
        (resi  16 and name C3*  )   1.0    -25.0   15.0  2 
                                   
 assign (resi  16 and name C1*  )                        
        (resi  16 and name C2*  )                        
        (resi  16 and name C3*  )                        
        (resi  16 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi  17 and name O4*  )                        
        (resi  17 and name C1*  )                        
        (resi  17 and name C2*  )                        
        (resi  17 and name C3*  )   1.0   -25.0   15.0  2
                                  
  assign (resi  17 and name C1*  )                        
         (resi  17 and name C2*  )                        
         (resi  17 and name C3*  )                        
         (resi  17 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign  (resi  18 and name O4*  )                        
         (resi  18 and name C1*  )                        
         (resi  18 and name C2*  )                        
         (resi  18 and name C3*  )   1.0   -25.0   15.0  2
                                  
 assign  (resi  18 and name C1*  )                        
         (resi  18 and name C2*  )                        
         (resi  18 and name C3*  )                        
         (resi  18 and name C4*  )   1.0    37.0    15.0  2 {*North*}
                                  
  assign (resi  19 and name O4*  )                        
         (resi  19 and name C1*  )                        
         (resi  19 and name C2*  )                        
         (resi  19 and name C3*  )   1.0   -25.0   15.0  2
                                  
  assign (resi  19 and name C1*  )                        
         (resi  19 and name C2*  )                        
         (resi  19 and name C3*  )                        
         (resi  19 and name C4*  )   1.0    37.0    15.0  2 {*North*}

  assign (resi  20 and name O4*  )                        
         (resi  20 and name C1*  )                        
         (resi  20 and name C2*  )                        
         (resi  20 and name C3*  )   1.0   -25.0    20.0  2
                                   
  assign (resi  20 and name C1*  )                        
         (resi  20 and name C2*  )                        
         (resi  20 and name C3*  )                        
         (resi  20 and name C4*  )   1.0  37.0    20.0  2 {*North*}
                                   
 assign (resi  21 and name O4*  )                        
        (resi  21 and name C1*  )                        
        (resi  21 and name C2*  )                        
        (resi  21 and name C3*  )   1.0   -25.0    20.0  2
                                   
 assign (resi  21 and name C1*  )                        
        (resi  21 and name C2*  )                        
        (resi  21 and name C3*  )                        
        (resi  21 and name C4*  )   1.0  37.0    20.0  2 {*North*}

 assign (resi  22 and name O4*  )                        
        (resi  22 and name C1*  )                        
        (resi  22 and name C2*  )                        
        (resi  22 and name C3*  )   1.0   -25.0    20.0  2
                                   
 assign (resi  22 and name C1*  )                        
        (resi  22 and name C2*  )                        
        (resi  22 and name C3*  )                        
        (resi  22 and name C4*  )   1.0  37.0    20.0  2 {*North*}
                                   
  assign (resi   23 and name O4*  )                        
         (resi   23 and name C1*  )                        
         (resi   23 and name C2*  )                        
         (resi   23 and name C3*  )   1.0    -25.0   20.0  2
                                   
  assign (resi   23 and name C1*  )                        
         (resi   23 and name C2*  )                        
         (resi   23 and name C3*  )                        
         (resi   23 and name C4*  )   1.0   37.0    20.0  2 {*North*}
                                   
  assign (resi   24 and name O4*  )                        
         (resi   24 and name C1*  )                        
         (resi   24 and name C2*  )                        
         (resi   24 and name C3*  )   1.0    -25.0   20.0  2
                                   
  assign (resi   24 and name C1*  )                        
         (resi   24 and name C2*  )                        
         (resi   24 and name C3*  )                        
         (resi   24 and name C4*  )   1.0   37.0    20.0  2 {*North*}

 assign (resi   25 and name O4*  )                        
        (resi   25 and name C1*  )                        
        (resi   25 and name C2*  )                        
        (resi   25 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   25 and name C1*  )                        
        (resi   25 and name C2*  )                        
        (resi   25 and name C3*  )                        
        (resi   25 and name C4*  )   1.0   37.0   15.0  2 {*North*}

 assign (resi   26 and name O4*  )                        
        (resi   26 and name C1*  )                        
        (resi   26 and name C2*  )                        
        (resi   26 and name C3*  )   1.0  -25.0  15.0  2
                                  
 assign (resi   26 and name C1*  )                        
        (resi   26 and name C2*  )                        
        (resi   26 and name C3*  )                        
        (resi   26 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   27 and name O4*  )                        
        (resi   27 and name C1*  )                        
        (resi   27 and name C2*  )                        
        (resi   27 and name C3*  )   1.0    -25.0    15.0  2
                           
 assign (resi   27 and name C1*  )                        
        (resi   27 and name C2*  )                        
        (resi   27 and name C3*  )                        
        (resi   27 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi   28 and name O4*  )                        
        (resi   28 and name C1*  )                        
        (resi   28 and name C2*  )                        
        (resi   28 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   28 and name C1*  )                        
        (resi   28 and name C2*  )                        
        (resi   28 and name C3*  )                        
        (resi   28 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   29 and name O4*  )                        
         (resi   29 and name C1*  )                        
         (resi   29 and name C2*  )                        
         (resi   29 and name C3*  )   1.0   -25.0   15.0  2
                                   
  assign (resi   29 and name C1*  )                        
         (resi   29 and name C2*  )                        
         (resi   29 and name C3*  )                        
         (resi   29 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   30 and name O4*  )                        
         (resi  30 and name C1*  )                        
         (resi  30 and name C2*  )                        
         (resi  30 and name C3*  )   1.0   -25.0    15.0  2
 
 assign (resi   30 and name C1*  )                        
         (resi  30 and name C2*  )                        
         (resi  30 and name C3*  )                        
         (resi  30 and name C4*  )   1.0    37.0    15.0  2 {*North*}

  assign (resi   31 and name O4*  )                        
         (resi   31 and name C1*  )                        
         (resi   31 and name C2*  )                        
         (resi   31 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   31 and name C1*  )                        
         (resi   31 and name C2*  )                        
         (resi   31 and name C3*  )                        
         (resi   31 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   32 and name O4*  )                        
         (resi   32 and name C1*  )                        
         (resi   32 and name C2*  )                        
         (resi   32 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   32 and name C1*  )                        
         (resi   32 and name C2*  )                        
         (resi   32 and name C3*  )                        
         (resi   32 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   33 and name O4*  )                        
         (resi   33 and name C1*  )                        
         (resi   33 and name C2*  )                        
         (resi   33 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   33 and name C1*  )                        
         (resi   33 and name C2*  )                        
         (resi   33 and name C3*  )                        
         (resi   33 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
  assign (resi   34 and name O4*  )                        
         (resi   34 and name C1*  )                        
         (resi   34 and name C2*  )                        
         (resi   34 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   34 and name C1*  )                        
         (resi   34 and name C2*  )                        
         (resi   34 and name C3*  )                        
         (resi   34 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign (resi   35 and name O4*  )                        
        (resi   35 and name C1*  )                        
        (resi   35 and name C2*  )                        
        (resi   35 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   35 and name C1*  )                        
        (resi   35 and name C2*  )                        
        (resi   35 and name C3*  )                        
        (resi   35 and name C4*  )   1.0   37.0   15.0  2 {*North*}

 assign (resi   36 and name O4*  )                        
        (resi   36 and name C1*  )                        
        (resi   36 and name C2*  )                        
        (resi   36 and name C3*  )   1.0  -25.0  20.0  2
                                  
 assign (resi   36 and name C1*  )                        
        (resi   36 and name C2*  )                        
        (resi   36 and name C3*  )                        
        (resi   36 and name C4*  )   1.0    37.0    20.0  2 {*North*}

 assign (resi   37 and name O4*  )                        
        (resi   37 and name C1*  )                        
        (resi   37 and name C2*  )                        
        (resi   37 and name C3*  )   1.0    25.0    10.0  2
                           
 assign (resi   37 and name C1*  )                        
        (resi   37 and name C2*  )                        
        (resi   37 and name C3*  )                        
        (resi   37 and name C4*  )   1.0   -35.0    10.0  2 {*South*}
                                   
 assign (resi   38 and name O4*  )                        
        (resi   38 and name C1*  )                        
        (resi   38 and name C2*  )                        
        (resi   38 and name C3*  )   1.0   -25.0    20.0  2
                           
 assign (resi   38 and name C1*  )                        
        (resi   38 and name C2*  )                        
        (resi   38 and name C3*  )                        
        (resi   38 and name C4*  )   1.0   37.0    20.0  2 {*North*}

  assign (resi   39 and name O4*  )                        
         (resi   39 and name C1*  )                        
         (resi   39 and name C2*  )                        
         (resi   39 and name C3*  )   1.0   -25.0   15.0  2
                                   
  assign (resi   39 and name C1*  )                        
         (resi   39 and name C2*  )                        
         (resi   39 and name C3*  )                        
         (resi   39 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   40 and name O4*  )                        
         (resi  40 and name C1*  )                        
         (resi  40 and name C2*  )                        
         (resi  40 and name C3*  )   1.0   -25.0    15.0  2
                                  
 assign (resi   40 and name C1*  )                        
         (resi  40 and name C2*  )                        
         (resi  40 and name C3*  )                        
         (resi  40 and name C4*  )   1.0    37.0    15.0  2 {*North*}
  
  assign (resi   41 and name O4*  )                        
         (resi   41 and name C1*  )                        
         (resi   41 and name C2*  )                        
         (resi   41 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   41 and name C1*  )                        
         (resi   41 and name C2*  )                        
         (resi   41 and name C3*  )                        
         (resi   41 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   42 and name O4*  )                        
         (resi   42 and name C1*  )                        
         (resi   42 and name C2*  )                        
         (resi   42 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   42 and name C1*  )                        
         (resi   42 and name C2*  )                        
         (resi   42 and name C3*  )                        
         (resi   42 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   44 and name O4*  )                        
         (resi   44 and name C1*  )                        
         (resi   44 and name C2*  )                        
         (resi   44 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   44 and name C1*  )                        
         (resi   44 and name C2*  )                        
         (resi   44 and name C3*  )                        
         (resi   44 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign (resi   45 and name O4*  )                        
        (resi   45 and name C1*  )                        
        (resi   45 and name C2*  )                        
        (resi   45 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   45 and name C1*  )                        
        (resi   45 and name C2*  )                        
        (resi   45 and name C3*  )                        
        (resi   45 and name C4*  )   1.0   37.0   15.0  2 {*North*}

 assign (resi   46 and name O4*  )                        
        (resi   46 and name C1*  )                        
        (resi   46 and name C2*  )                        
        (resi   46 and name C3*  )   1.0  -25.0  15.0  2
                                  
 assign (resi   46 and name C1*  )                        
        (resi   46 and name C2*  )                        
        (resi   46 and name C3*  )                        
        (resi   46 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   47 and name O4*  )                        
        (resi   47 and name C1*  )                        
        (resi   47 and name C2*  )                        
        (resi   47 and name C3*  )   1.0    -25.0    15.0  2
                           
 assign (resi   47 and name C1*  )                        
        (resi   47 and name C2*  )                        
        (resi   47 and name C3*  )                        
        (resi   47 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi   48 and name O4*  )                        
        (resi   48 and name C1*  )                        
        (resi   48 and name C2*  )                        
        (resi   48 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   48 and name C1*  )                        
        (resi   48 and name C2*  )                        
        (resi   48 and name C3*  )                        
        (resi   48 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   49 and name O4*  )                        
         (resi   49 and name C1*  )                        
         (resi   49 and name C2*  )                        
         (resi   49 and name C3*  )   1.0   25.0   15.0  2
                                   
  assign (resi   49 and name C1*  )                        
         (resi   49 and name C2*  )                        
         (resi   49 and name C3*  )                        
         (resi   49 and name C4*  )   1.0    -35.0    15.0  2 {*South*}

  assign (resi   51 and name O4*  )                        
         (resi   51 and name C1*  )                        
         (resi   51 and name C2*  )                        
         (resi   51 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   51 and name C1*  )                        
         (resi   51 and name C2*  )                        
         (resi   51 and name C3*  )                        
         (resi   51 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   52 and name O4*  )                        
         (resi   52 and name C1*  )                        
         (resi   52 and name C2*  )                        
         (resi   52 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   52 and name C1*  )                        
         (resi   52 and name C2*  )                        
         (resi   52 and name C3*  )                        
         (resi   52 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   53 and name O4*  )                        
         (resi   53 and name C1*  )                        
         (resi   53 and name C2*  )                        
         (resi   53 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   53 and name C1*  )                        
         (resi   53 and name C2*  )                        
         (resi   53 and name C3*  )                        
         (resi   53 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
  assign (resi   54 and name O4*  )                        
         (resi   54 and name C1*  )                        
         (resi   54 and name C2*  )                        
         (resi   54 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   54 and name C1*  )                        
         (resi   54 and name C2*  )                        
         (resi   54 and name C3*  )                        
         (resi   54 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign (resi   55 and name O4*  )                        
        (resi   55 and name C1*  )                        
        (resi   55 and name C2*  )                        
        (resi   55 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   55 and name C1*  )                        
        (resi   55 and name C2*  )                        
        (resi   55 and name C3*  )                        
        (resi   55 and name C4*  )   1.0   37.0   15.0  2 {*North*}

 assign (resi   56 and name O4*  )                        
        (resi   56 and name C1*  )                        
        (resi   56 and name C2*  )                        
        (resi   56 and name C3*  )   1.0  -25.0  15.0  2
                                  
 assign (resi   56 and name C1*  )                        
        (resi   56 and name C2*  )                        
        (resi   56 and name C3*  )                        
        (resi   56 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   57 and name O4*  )                        
        (resi   57 and name C1*  )                        
        (resi   57 and name C2*  )                        
        (resi   57 and name C3*  )   1.0    -25.0    15.0  2
                           
 assign (resi   57 and name C1*  )                        
        (resi   57 and name C2*  )                        
        (resi   57 and name C3*  )                        
        (resi   57 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi   58 and name O4*  )                        
        (resi   58 and name C1*  )                        
        (resi   58 and name C2*  )                        
        (resi   58 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   58 and name C1*  )                        
        (resi   58 and name C2*  )                        
        (resi   58 and name C3*  )                        
        (resi   58 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   59 and name O4*  )                        
         (resi   59 and name C1*  )                        
         (resi   59 and name C2*  )                        
         (resi   59 and name C3*  )   1.0   -25.0   15.0  2
                                   
  assign (resi   59 and name C1*  )                        
         (resi   59 and name C2*  )                        
         (resi   59 and name C3*  )                        
         (resi   59 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   60 and name O4*  )                        
         (resi  60 and name C1*  )                        
         (resi  60 and name C2*  )                        
         (resi  60 and name C3*  )   1.0   -25.0    15.0  2
                                  
 assign (resi   60 and name C1*  )                        
         (resi  60 and name C2*  )                        
         (resi  60 and name C3*  )                        
         (resi  60 and name C4*  )   1.0    37.0    15.0  2 {*North*}

  assign (resi   61 and name O4*  )                        
         (resi   61 and name C1*  )                        
         (resi   61 and name C2*  )                        
         (resi   61 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   61 and name C1*  )                        
         (resi   61 and name C2*  )                        
         (resi   61 and name C3*  )                        
         (resi   61 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   62 and name O4*  )                        
         (resi   62 and name C1*  )                        
         (resi   62 and name C2*  )                        
         (resi   62 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   62 and name C1*  )                        
         (resi   62 and name C2*  )                        
         (resi   62 and name C3*  )                        
         (resi   62 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   63 and name O4*  )                        
         (resi   63 and name C1*  )                        
         (resi   63 and name C2*  )                        
         (resi   63 and name C3*  )   1.0    -25.0   20.0  2
                                   
  assign (resi   63 and name C1*  )                        
         (resi   63 and name C2*  )                        
         (resi   63 and name C3*  )                        
         (resi   63 and name C4*  )   1.0   37.0    20.0  2 {*North*}
                                   
  assign (resi   64 and name O4*  )                        
         (resi   64 and name C1*  )                        
         (resi   64 and name C2*  )                        
         (resi   64 and name C3*  )   1.0    -25.0   20.0  2
                                   
  assign (resi   64 and name C1*  )                        
         (resi   64 and name C2*  )                        
         (resi   64 and name C3*  )                        
         (resi   64 and name C4*  )   1.0   37.0    20.0  2 {*North*}

 assign (resi   65 and name O4*  )                        
        (resi   65 and name C1*  )                        
        (resi   65 and name C2*  )                        
        (resi   65 and name C3*  )   1.0   -25.0    20.0  2
                           
 assign (resi   65 and name C1*  )                        
        (resi   65 and name C2*  )                        
        (resi   65 and name C3*  )                        
        (resi   65 and name C4*  )   1.0   37.0   20.0  2 {*North*}

 assign (resi   66 and name O4*  )                        
        (resi   66 and name C1*  )                        
        (resi   66 and name C2*  )                        
        (resi   66 and name C3*  )   1.0  -25.0  20.0  2
                                  
 assign (resi   66 and name C1*  )                        
        (resi   66 and name C2*  )                        
        (resi   66 and name C3*  )                        
        (resi   66 and name C4*  )   1.0    37.0    20.0  2 {*North*}

 assign (resi   67 and name O4*  )                        
        (resi   67 and name C1*  )                        
        (resi   67 and name C2*  )                        
        (resi   67 and name C3*  )   1.0    -25.0    15.0  2
                           
 assign (resi   67 and name C1*  )                        
        (resi   67 and name C2*  )                        
        (resi   67 and name C3*  )                        
        (resi   67 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
 assign (resi   68 and name O4*  )                        
        (resi   68 and name C1*  )                        
        (resi   68 and name C2*  )                        
        (resi   68 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   68 and name C1*  )                        
        (resi   68 and name C2*  )                        
        (resi   68 and name C3*  )                        
        (resi   68 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   69 and name O4*  )                        
         (resi   69 and name C1*  )                        
         (resi   69 and name C2*  )                        
         (resi   69 and name C3*  )   1.0   -25.0   15.0  2
                                   
  assign (resi   69 and name C1*  )                        
         (resi   69 and name C2*  )                        
         (resi   69 and name C3*  )                        
         (resi   69 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   70 and name O4*  )                        
         (resi  70 and name C1*  )                        
         (resi  70 and name C2*  )                        
         (resi  70 and name C3*  )   1.0    -25.0    15.0  2
                                 
 assign (resi   70 and name C1*  )                        
         (resi  70 and name C2*  )                        
         (resi  70 and name C3*  )                        
         (resi  70 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   71 and name O4*  )                        
        (resi   71 and name C1*  )                        
        (resi   71 and name C2*  )                        
        (resi   71 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   71 and name C1*  )                        
        (resi   71 and name C2*  )                        
        (resi   71 and name C3*  )                        
        (resi   71 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   72 and name O4*  )                        
         (resi   72 and name C1*  )                        
         (resi   72 and name C2*  )                        
         (resi   72 and name C3*  )   1.0   -25.0   15.0  2
                                   
  assign (resi   72 and name C1*  )                        
         (resi   72 and name C2*  )                        
         (resi   72 and name C3*  )                        
         (resi   72 and name C4*  )   1.0    37.0    15.0  2 {*North*}

 assign (resi   73 and name O4*  )                        
         (resi  73 and name C1*  )                        
         (resi  73 and name C2*  )                        
         (resi  73 and name C3*  )   1.0   -25.0    15.0  2

 assign (resi   73 and name C1*  )                        
         (resi  73 and name C2*  )                        
         (resi  73 and name C3*  )                        
         (resi  73 and name C4*  )   1.0    37.0    15.0  2 {*North*}

  assign (resi   74 and name O4*  )                        
         (resi   74 and name C1*  )                        
         (resi   74 and name C2*  )                        
         (resi   74 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   74 and name C1*  )                        
         (resi   74 and name C2*  )                        
         (resi   74 and name C3*  )                        
         (resi   74 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   75 and name O4*  )                        
         (resi   75 and name C1*  )                        
         (resi   75 and name C2*  )                        
         (resi   75 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   75 and name C1*  )                        
         (resi   75 and name C2*  )                        
         (resi   75 and name C3*  )                        
         (resi   75 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   76 and name O4*  )                        
         (resi   76 and name C1*  )                        
         (resi   76 and name C2*  )                        
         (resi   76 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   76 and name C1*  )                        
         (resi   76 and name C2*  )                        
         (resi   76 and name C3*  )                        
         (resi   76 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
  assign (resi   77 and name O4*  )                        
         (resi   77 and name C1*  )                        
         (resi   77 and name C2*  )                        
         (resi   77 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   77 and name C1*  )                        
         (resi   77 and name C2*  )                        
         (resi   77 and name C3*  )                        
         (resi   77 and name C4*  )   1.0   37.0    15.0  2 {*North*}

  assign (resi   78 and name O4*  )                        
         (resi   78 and name C1*  )                        
         (resi   78 and name C2*  )                        
         (resi   78 and name C3*  )   1.0   -25.0    15.0  2
                           
  assign (resi   78 and name C1*  )                        
         (resi   78 and name C2*  )                        
         (resi   78 and name C3*  )                        
         (resi   78 and name C4*  )   1.0   37.0   15.0  2 {*North*}
 
  assign (resi   79 and name O4*  )                        
         (resi   79 and name C1*  )                        
         (resi   79 and name C2*  )                        
         (resi   79 and name C3*  )   1.0  -25.0  20.0  2
                                
  assign (resi   79 and name C1*  )                        
         (resi   79 and name C2*  )                        
         (resi   79 and name C3*  )                        
         (resi   79 and name C4*  )   1.0    37.0    20.0  2 {*North*}

  assign (resi   80 and name O4*  )                        
         (resi   80 and name C1*  )                        
         (resi   80 and name C2*  )                        
         (resi   80 and name C3*  )   1.0    25.0    10.0  2
                           
  assign (resi   80 and name C1*  )                        
         (resi   80 and name C2*  )                        
         (resi   80 and name C3*  )                        
         (resi   80 and name C4*  )   1.0   -35.0    10.0  2 {*South*}


  assign (resi   81 and name O4*  )                        
         (resi   81 and name C1*  )                        
         (resi   81 and name C2*  )                        
         (resi   81 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   81 and name C1*  )                        
         (resi   81 and name C2*  )                        
         (resi   81 and name C3*  )                        
         (resi   81 and name C4*  )   1.0   37.0     15.0  2 {*North*}                                                       
                                   
  assign (resi   82 and name O4*  )                        
         (resi   82 and name C1*  )                        
         (resi   82 and name C2*  )                        
         (resi   82 and name C3*  )   1.0   -25.0    15.0  2
                                   
  assign (resi   82 and name C1*  )                        
         (resi   82 and name C2*  )                        
         (resi   82 and name C3*  )                        
         (resi   82 and name C4*  )   1.0   37.0     15.0  2 {*North*}
                                   
  assign (resi   83 and name O4*  )                        
         (resi   83 and name C1*  )                        
         (resi   83 and name C2*  )                        
         (resi   83 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   83 and name C1*  )                        
         (resi   83 and name C2*  )                        
         (resi   83 and name C3*  )                        
         (resi   83 and name C4*  )   1.0   37.0    15.0  2 {*North*}
                                   
  assign (resi   84 and name O4*  )                        
         (resi   84 and name C1*  )                        
         (resi   84 and name C2*  )                        
         (resi   84 and name C3*  )   1.0    -25.0   15.0  2
                                   
  assign (resi   84 and name C1*  )                        
         (resi   84 and name C2*  )                        
         (resi   84 and name C3*  )                        
         (resi   84 and name C4*  )   1.0   37.0    15.0  2 {*North*}

 assign (resi   85 and name O4*  )                        
        (resi   85 and name C1*  )                        
        (resi   85 and name C2*  )                        
        (resi   85 and name C3*  )   1.0   -25.0    15.0  2
                           
 assign (resi   85 and name C1*  )                        
        (resi   85 and name C2*  )                        
        (resi   85 and name C3*  )                        
        (resi   85 and name C4*  )   1.0   37.0   15.0  2 {*North*}

!planarity restraints

  group select ( (store1 and (resid  1 or resid 43) ) ) weigh=1.0 end
  group select ( (store1 and (resid  2 or resid 42) ) ) weigh=1.0 end
  group select ( (store1 and (resid  3 or resid 41) ) ) weigh=1.0 end
  group select ( (store1 and (resid  4 or resid 40) ) ) weigh=1.0 end
  group select ( (store1 and (resid  5 or resid 39) ) ) weigh=1.0 end
  group select ( (store1 and (resid  6 or resid 36) ) ) weigh=1.0 end
  group select ( (store1 and (resid 37 or resid 38) ) ) weigh=1.0 end
  group select ( (store1 and (resid  8 or resid 35) ) ) weigh=1.0 end
  group select ( (store1 and (resid  9 or resid 34) ) ) weigh=1.0 end
  group select ( (store1 and (resid 10 or resid 33) ) ) weigh=1.0 end
  group select ( (store1 and (resid 11 or resid 32) ) ) weigh=1.0 end 
  group select ( (store1 and (resid 12 or resid 31) ) ) weigh=1.0 end
  group select ( (store1 and (resid 13 or resid 30) ) ) weigh=1.0 end
  group select ( (store1 and (resid 14 or resid 29) ) ) weigh=1.0 end
  group select ( (store1 and (resid 15 or resid 28) ) ) weigh=1.0 end
  group select ( (store1 and (resid 16 or resid 27) ) ) weigh=1.0 end
  group select ( (store1 and (resid 17 or resid 26) ) ) weigh=1.0 end
  group select ( (store1 and (resid 18 or resid 25) ) ) weigh=1.0 end
  group select ( (store1 and (resid 19 or resid 24) ) ) weigh=1.0 end
  group select ( (store1 and (resid 44 or resid 86) ) ) weigh=1.0 end
  group select ( (store1 and (resid 45 or resid 85) ) ) weigh=1.0 end
  group select ( (store1 and (resid 46 or resid 84) ) ) weigh=1.0 end
  group select ( (store1 and (resid 47 or resid 83) ) ) weigh=1.0 end
  group select ( (store1 and (resid 48 or resid 82) ) ) weigh=1.0 end
  group select ( (store1 and (resid 49 or resid 79) ) ) weigh=1.0 end 
  group select ( (store1 and (resid 80 or resid 81) ) ) weigh=1.0 end 
  group select ( (store1 and (resid 51 or resid 78) ) ) weigh=1.0 end
  group select ( (store1 and (resid 52 or resid 77) ) ) weigh=1.0 end
  group select ( (store1 and (resid 53 or resid 76) ) ) weigh=1.0 end
  group select ( (store1 and (resid 54 or resid 75) ) ) weigh=1.0 end
  group select ( (store1 and (resid 55 or resid 74) ) ) weigh=1.0 end
  group select ( (store1 and (resid 56 or resid 73) ) ) weigh=1.0 end
  group select ( (store1 and (resid 57 or resid 72) ) ) weigh=1.0 end
  group select ( (store1 and (resid 58 or resid 71) ) ) weigh=1.0 end
  group select ( (store1 and (resid 59 or resid 70) ) ) weigh=1.0 end
  group select ( (store1 and (resid 60 or resid 69) ) ) weigh=1.0 end
  group select ( (store1 and (resid 61 or resid 68) ) ) weigh=1.0 end 
  group select ( (store1 and (resid 62 or resid 67) ) ) weigh=1.0 end
  group select ( (store1 and (resid 63 or resid 66) ) ) weigh=1.0 end
  group select ( (store1 and (resid 20 or resid 23) ) ) weigh=1.0 end

!RDC_restraints

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  2   and name N1  )
       ( resid  2   and name H1  )     15.1  2.2000 2.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  5   and name N3  )
       ( resid  5   and name H3  )     39.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  9   and name N1  )
       ( resid  9   and name H1  )     50.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  17  and name N1  )
       ( resid  17  and name H1  )     8.1  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  18  and name N1  )
       ( resid  18  and name H1  )     45.1  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  20  and name N1  )
       ( resid  20  and name H1  )     35.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  28  and name N1  )
       ( resid  28  and name H1  )     26.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  29  and name N3  )
       ( resid  29  and name H3  )     24.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  33  and name N3  )
       ( resid  33  and name H3  )     13.5  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  36  and name N3  )
       ( resid  36  and name H3  )     51.8  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  39  and name N1  )
       ( resid  39  and name H1  )     40.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  43  and name N3  )
       ( resid  43  and name H3  )     4.96  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  45   and name N1  )
       ( resid  45   and name H1  )     15.1  2.2000 2.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  48   and name N3  )
       ( resid  48   and name H3  )     39.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  52   and name N1  )
       ( resid  52   and name H1  )     50.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  60  and name N1  )
       ( resid  60  and name H1  )     8.1  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  61  and name N1  )
       ( resid  61  and name H1  )     45.1  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  63  and name N1  )
       ( resid  63  and name H1  )     35.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  71  and name N1  )
       ( resid  71  and name H1  )     26.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  72  and name N3  )
       ( resid  72  and name H3  )     24.4  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  76 and name N3  )
       ( resid  76  and name H3  )     13.5  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  79  and name N3  )
       ( resid  79  and name H3  )     51.8  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  82  and name N1  )
       ( resid  82  and name H1  )     40.2  1.2000 1.2000

assign ( resid  500  and name OO  )
       ( resid  500  and name Z   )
       ( resid  500  and name X   )
       ( resid  500  and name Y   )
       ( resid  86  and name N3  )
       ( resid  86  and name H3  )     4.96  1.2000 1.2000








  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   5.501 -47.037   0.382
    2   2H5*    G   1          2H5*        G   1   6.035 -45.462  -0.241
    3    H4*    G   1           H4*        G   1   5.560 -46.962  -2.094
    4    H3*    G   1           H3*        G   1   3.831 -44.560  -1.711
    5    H2*    G   1           H2*        G   1   2.163 -45.246  -3.190
    6   2HO*    G   1          2HO*        G   1   2.940 -47.344  -4.483
    7    H1*    G   1           H1*        G   1   2.153 -47.939  -2.759
    8    H8     G   1           H8         G   1   2.571 -46.745   0.696
    9    H1     G   1           H1         G   1  -3.295 -45.419  -1.506
   10   1H2     G   1          1H2         G   1  -3.361 -45.701  -3.706
   11   2H2     G   1          2H2         G   1  -1.967 -46.212  -4.630
   12    H5T    G   1           H5T        G   1   3.501 -45.176  -0.046
   13   1H5*    G   2          1H5*        G   2   3.300 -45.207  -5.433
   14   2H5*    G   2          2H5*        G   2   3.816 -43.870  -6.479
   15    H4*    G   2           H4*        G   2   1.495 -44.490  -6.944
   16    H3*    G   2           H3*        G   2   1.982 -41.781  -5.709
   17    H2*    G   2           H2*        G   2  -0.299 -41.386  -5.496
   18   2HO*    G   2          2HO*        G   2  -0.826 -43.392  -7.445
   19    H1*    G   2           H1*        G   2  -1.180 -44.071  -5.301
   20    H8     G   2           H8         G   2   1.411 -43.246  -2.680
   21    H1     G   2           H1         G   2  -4.496 -41.337  -1.108
   22   1H2     G   2          1H2         G   2  -5.839 -41.508  -2.867
   23   2H2     G   2          2H2         G   2  -5.285 -42.091  -4.421
   24   1H5*    G   3          1H5*        G   3  -0.414 -41.216  -8.634
   25   2H5*    G   3          2H5*        G   3  -0.093 -40.097  -9.973
   26    H4*    G   3           H4*        G   3  -2.209 -39.460  -9.143
   27    H3*    G   3           H3*        G   3  -0.021 -37.663  -8.110
   28    H2*    G   3           H2*        G   3  -1.482 -36.565  -6.676
   29   2HO*    G   3          2HO*        G   3  -3.933 -37.224  -7.402
   30    H1*    G   3           H1*        G   3  -3.351 -38.653  -6.281
   31    H8     G   3           H8         G   3   0.370 -39.293  -5.520
   32    H1     G   3           H1         G   3  -3.070 -37.173  -0.552
   33   1H2     G   3          1H2         G   3  -5.102 -36.610  -1.228
   34   2H2     G   3          2H2         G   3  -5.614 -36.751  -2.894
   35   1H5*    A   4          1H5*        A   4  -3.421 -35.887  -9.153
   36   2H5*    A   4          2H5*        A   4  -3.434 -34.610 -10.386
   37    H4*    A   4           H4*        A   4  -4.909 -33.864  -8.692
   38    H3*    A   4           H3*        A   4  -2.210 -32.533  -8.523
   39    H2*    A   4           H2*        A   4  -2.757 -31.480  -6.522
   40   2HO*    A   4          2HO*        A   4  -4.959 -31.147  -5.899
   41    H1*    A   4           H1*        A   4  -4.556 -33.379  -5.498
   42    H8     A   4           H8         A   4  -1.021 -34.413  -6.689
   43   1H6     A   4          1H6         A   4   0.586 -33.963  -0.746
   44   2H6     A   4          2H6         A   4   1.116 -34.422  -2.349
   45    H2     A   4           H2         A   4  -3.664 -32.554  -1.138
   46   1H5*    U   5          1H5*        U   5  -5.388 -29.640  -7.853
   47   2H5*    U   5          2H5*        U   5  -4.867 -28.022  -8.362
   48    H4*    U   5           H4*        U   5  -5.477 -28.360  -5.884
   49    H3*    U   5           H3*        U   5  -2.976 -27.024  -6.883
   50    H2*    U   5           H2*        U   5  -2.012 -26.964  -4.779
   51   2HO*    U   5          2HO*        U   5  -4.693 -26.839  -3.885
   52    H1*    U   5           H1*        U   5  -3.402 -29.128  -3.577
   53    H3     U   5           H3         U   5   0.832 -30.390  -2.747
   54    H5     U   5           H5         U   5   0.557 -30.553  -6.950
   55    H6     U   5           H6         U   5  -1.660 -29.585  -6.775
   56   1H5*    A   6          1H5*        A   6  -6.704 -22.172  -6.180
   57   2H5*    A   6          2H5*        A   6  -4.969 -22.155  -5.808
   58    H4*    A   6           H4*        A   6  -6.892 -24.013  -4.395
   59    H3*    A   6           H3*        A   6  -7.119 -21.261  -4.116
   60    H2*    A   6           H2*        A   6  -5.066 -20.766  -3.141
   61   2HO*    A   6          2HO*        A   6  -5.376 -21.698  -0.724
   62    H1*    A   6           H1*        A   6  -4.771 -23.371  -1.717
   63    H8     A   6           H8         A   6  -2.978 -22.060  -4.886
   64   1H6     A   6          1H6         A   6   1.970 -21.463  -1.229
   65   2H6     A   6          2H6         A   6   1.375 -21.336  -2.868
   66    H2     A   6           H2         A   6  -1.500 -22.722   1.330
   67   1H5*    U   7          1H5*        U   7  -9.389 -22.533   0.646
   68   2H5*    U   7          2H5*        U   7  -9.147 -20.851   1.158
   69    H4*    U   7           H4*        U   7  -8.213 -22.252   2.860
   70    H3*    U   7           H3*        U   7  -6.241 -20.804   1.141
   71    H2*    U   7           H2*        U   7  -4.485 -22.169   1.675
   72   2HO*    U   7          2HO*        U   7  -4.208 -22.887   3.873
   73    H1*    U   7           H1*        U   7  -5.992 -24.237   3.091
   74    H3     U   7           H3         U   7  -5.621 -26.696  -1.218
   75    H5     U   7           H5         U   7  -1.978 -25.289   0.365
   76    H6     U   7           H6         U   7  -3.248 -23.926   1.915
   77   1H5*    G   8          1H5*        G   8  -2.824 -21.684   3.036
   78   2H5*    G   8          2H5*        G   8  -3.064 -20.668   4.471
   79    H4*    G   8           H4*        G   8  -0.961 -19.993   3.780
   80    H3*    G   8           H3*        G   8  -3.015 -18.167   2.559
   81    H2*    G   8           H2*        G   8  -1.456 -17.142   1.170
   82   2HO*    G   8          2HO*        G   8   0.092 -17.383   3.309
   83    H1*    G   8           H1*        G   8   0.278 -19.284   0.749
   84    H8     G   8           H8         G   8  -3.454 -20.027   0.286
   85    H1     G   8           H1         G   8  -0.542 -17.827  -4.968
   86   1H2     G   8          1H2         G   8   1.521 -17.176  -4.479
   87   2H2     G   8          2H2         G   8   2.182 -17.284  -2.864
   88   1H5*    G   9          1H5*        G   9  -2.999 -13.779   3.349
   89   2H5*    G   9          2H5*        G   9  -4.011 -14.355   2.008
   90    H4*    G   9           H4*        G   9  -1.079 -13.706   2.057
   91    H3*    G   9           H3*        G   9  -3.450 -12.966   0.373
   92    H2*    G   9           H2*        G   9  -2.237 -13.045  -1.627
   93   2HO*    G   9          2HO*        G   9  -0.182 -12.304   0.030
   94    H1*    G   9           H1*        G   9  -0.566 -15.148  -1.085
   95    H8     G   9           H8         G   9  -3.545 -16.694   0.225
   96    H1     G   9           H1         G   9  -4.203 -15.739  -6.074
   97   1H2     G   9          1H2         G   9  -2.655 -14.317  -6.791
   98   2H2     G   9          2H2         G   9  -1.467 -13.603  -5.723
   99   1H5*    A  10          1H5*        A  10  -1.020  -9.508  -0.200
  100   2H5*    A  10          2H5*        A  10  -1.914  -7.984  -0.037
  101    H4*    A  10           H4*        A  10  -0.990  -8.414  -2.335
  102    H3*    A  10           H3*        A  10  -3.944  -8.005  -1.891
  103    H2*    A  10           H2*        A  10  -4.425  -8.482  -4.113
  104   2HO*    A  10          2HO*        A  10  -2.240  -8.435  -5.511
  105    H1*    A  10           H1*        A  10  -2.230 -10.175  -4.675
  106    H8     A  10           H8         A  10  -4.009 -11.618  -1.746
  107   1H6     A  10          1H6         A  10  -8.170 -13.946  -5.670
  108   2H6     A  10          2H6         A  10  -7.581 -13.960  -4.024
  109    H2     A  10           H2         A  10  -5.617 -11.025  -7.938
  110   1H5*    A  11          1H5*        A  11  -1.998  -5.215  -4.921
  111   2H5*    A  11          2H5*        A  11  -2.829  -3.646  -4.977
  112    H4*    A  11           H4*        A  11  -2.435  -4.713  -7.223
  113    H3*    A  11           H3*        A  11  -5.206  -3.978  -6.288
  114    H2*    A  11           H2*        A  11  -6.176  -4.910  -8.215
  115   2HO*    A  11          2HO*        A  11  -4.012  -5.591  -9.689
  116    H1*    A  11           H1*        A  11  -4.527  -7.095  -8.499
  117    H8     A  11           H8         A  11  -5.347  -6.631  -4.826
  118   1H6     A  11          1H6         A  11 -10.539  -9.790  -5.948
  119   2H6     A  11          2H6         A  11  -9.512  -9.108  -4.706
  120    H2     A  11           H2         A  11  -8.606  -8.854  -9.894
  121   1H5*    G  12          1H5*        G  12  -5.159  -1.546 -10.011
  122   2H5*    G  12          2H5*        G  12  -5.860   0.014  -9.539
  123    H4*    G  12           H4*        G  12  -7.138  -1.153 -11.336
  124    H3*    G  12           H3*        G  12  -8.474  -0.545  -8.696
  125    H2*    G  12           H2*        G  12 -10.445  -1.608  -9.401
  126   2HO*    G  12          2HO*        G  12 -11.112  -1.500 -11.404
  127    H1*    G  12           H1*        G  12  -9.298  -3.648 -10.883
  128    H8     G  12           H8         G  12  -7.461  -3.255  -7.595
  129    H1     G  12           H1         G  12 -12.945  -6.510  -7.069
  130   1H2     G  12          1H2         G  12 -14.103  -6.355  -8.959
  131   2H2     G  12          2H2         G  12 -13.526  -5.452 -10.340
  132   1H5*    A  13          1H5*        A  13 -11.162   0.262 -11.158
  133   2H5*    A  13          2H5*        A  13 -11.596   1.968 -11.394
  134    H4*    A  13           H4*        A  13 -13.685   1.004 -11.188
  135    H3*    A  13           H3*        A  13 -12.800   1.871  -8.437
  136    H2*    A  13           H2*        A  13 -14.648   0.839  -7.443
  137   2HO*    A  13          2HO*        A  13 -15.817   1.032 -10.023
  138    H1*    A  13           H1*        A  13 -14.912  -1.328  -9.165
  139    H8     A  13           H8         A  13 -11.400  -0.459  -7.804
  140   1H6     A  13          1H6         A  13 -12.613  -4.621  -3.404
  141   2H6     A  13          2H6         A  13 -11.400  -3.562  -4.086
  142    H2     A  13           H2         A  13 -16.335  -4.086  -5.866
  143   1H5*    A  14          1H5*        A  14 -17.223   2.856  -9.334
  144   2H5*    A  14          2H5*        A  14 -17.420   4.502  -8.700
  145    H4*    A  14           H4*        A  14 -19.255   3.009  -7.993
  146    H3*    A  14           H3*        A  14 -17.427   4.152  -5.884
  147    H2*    A  14           H2*        A  14 -18.526   2.951  -4.194
  148   2HO*    A  14          2HO*        A  14 -20.597   2.352  -4.304
  149    H1*    A  14           H1*        A  14 -19.013   0.623  -5.586
  150    H8     A  14           H8         A  14 -15.556   2.269  -6.070
  151   1H6     A  14          1H6         A  14 -13.666  -1.423  -1.497
  152   2H6     A  14          2H6         A  14 -13.170  -0.263  -2.709
  153    H2     A  14           H2         A  14 -18.122  -1.890  -1.901
  154   1H5*    C  15          1H5*        C  15 -21.503   5.023  -4.332
  155   2H5*    C  15          2H5*        C  15 -21.396   6.641  -3.611
  156    H4*    C  15           H4*        C  15 -22.197   4.913  -2.013
  157    H3*    C  15           H3*        C  15 -19.578   6.311  -1.426
  158    H2*    C  15           H2*        C  15 -19.331   5.032   0.519
  159   2HO*    C  15          2HO*        C  15 -21.903   3.967   0.559
  160    H1*    C  15           H1*        C  15 -20.634   2.706  -0.390
  161   1H4     C  15          1H4         C  15 -14.482   1.115  -0.318
  162   2H4     C  15          2H4         C  15 -14.153   2.184  -1.663
  163    H5     C  15           H5         C  15 -15.820   3.611  -2.655
  164    H6     C  15           H6         C  15 -18.156   4.346  -2.553
  165   1H5*    C  16          1H5*        C  16 -21.414   6.321   1.731
  166   2H5*    C  16          2H5*        C  16 -21.675   7.755   2.746
  167    H4*    C  16           H4*        C  16 -20.532   6.257   4.150
  168    H3*    C  16           H3*        C  16 -18.588   8.222   2.927
  169    H2*    C  16           H2*        C  16 -16.793   7.101   3.888
  170   2HO*    C  16          2HO*        C  16 -18.679   6.522   5.873
  171    H1*    C  16           H1*        C  16 -17.977   4.523   4.048
  172   1H4     C  16          1H4         C  16 -13.303   3.831  -0.184
  173   2H4     C  16          2H4         C  16 -14.046   4.983  -1.271
  174    H5     C  16           H5         C  16 -16.079   6.174  -0.748
  175    H6     C  16           H6         C  16 -17.813   6.542   0.948
  176   1H5*    G  17          1H5*        G  17 -19.116   8.067   7.791
  177   2H5*    G  17          2H5*        G  17 -18.464   9.628   8.331
  178    H4*    G  17           H4*        G  17 -17.764   7.699   9.753
  179    H3*    G  17           H3*        G  17 -15.674   9.342   8.320
  180    H2*    G  17           H2*        G  17 -13.966   7.972   9.195
  181   2HO*    G  17          2HO*        G  17 -15.353   7.916  11.322
  182    H1*    G  17           H1*        G  17 -15.241   5.561   8.922
  183    H8     G  17           H8         G  17 -16.127   7.552   5.878
  184    H1     G  17           H1         G  17 -10.185   5.194   5.622
  185   1H2     G  17          1H2         G  17  -9.595   4.400   7.612
  186   2H2     G  17          2H2         G  17 -10.662   4.455   8.998
  187   1H5*    G  18          1H5*        G  18 -13.661   8.461  11.371
  188   2H5*    G  18          2H5*        G  18 -13.562   9.856  12.461
  189    H4*    G  18           H4*        G  18 -11.359   9.120  12.408
  190    H3*    G  18           H3*        G  18 -11.683  11.248  10.287
  191    H2*    G  18           H2*        G  18  -9.519  10.867   9.518
  192   2HO*    G  18          2HO*        G  18  -8.784   9.521  11.900
  193    H1*    G  18           H1*        G  18  -9.288   8.149  10.322
  194    H8     G  18           H8         G  18 -12.235   8.625   8.037
  195    H1     G  18           H1         G  18  -6.675   8.292   4.885
  196   1H2     G  18          1H2         G  18  -4.982   8.417   6.314
  197   2H2     G  18          2H2         G  18  -5.220   8.585   8.038
  198   1H5*    G  19          1H5*        G  19  -7.814  11.459  11.906
  199   2H5*    G  19          2H5*        G  19  -7.655  13.059  12.658
  200    H4*    G  19           H4*        G  19  -5.672  12.594  11.346
  201    H3*    G  19           H3*        G  19  -7.512  14.717  10.261
  202    H2*    G  19           H2*        G  19  -6.303  14.896   8.289
  203   2HO*    G  19          2HO*        G  19  -4.026  14.136   8.274
  204    H1*    G  19           H1*        G  19  -5.159  12.296   8.242
  205    H8     G  19           H8         G  19  -8.982  12.871   8.333
  206    H1     G  19           H1         G  19  -6.503  12.047   2.488
  207   1H2     G  19          1H2         G  19  -4.288  11.938   2.608
  208   2H2     G  19          2H2         G  19  -3.424  12.069   4.124
  209   1H5*    G  20          1H5*        G  20  -6.894  18.998  10.134
  210   2H5*    G  20          2H5*        G  20  -7.975  18.213   8.965
  211    H4*    G  20           H4*        G  20  -4.975  18.456   8.931
  212    H3*    G  20           H3*        G  20  -7.230  19.190   7.111
  213    H2*    G  20           H2*        G  20  -6.189  18.394   5.169
  214   2HO*    G  20          2HO*        G  20  -4.008  19.285   6.345
  215    H1*    G  20           H1*        G  20  -5.022  16.141   6.125
  216    H8     G  20           H8         G  20  -8.142  16.092   8.087
  217    H1     G  20           H1         G  20  -9.315  14.947   1.902
  218   1H2     G  20          1H2         G  20  -7.528  15.402   0.693
  219   2H2     G  20          2H2         G  20  -6.040  15.997   1.396
  220   1H5*    A  21          1H5*        A  21  -8.415  23.052   6.717
  221   2H5*    A  21          2H5*        A  21  -8.826  21.524   5.910
  222    H4*    A  21           H4*        A  21  -9.149  23.819   4.666
  223    H3*    A  21           H3*        A  21  -8.248  21.191   3.590
  224    H2*    A  21           H2*        A  21  -7.319  22.037   1.627
  225   2HO*    A  21          2HO*        A  21  -8.342  24.614   1.807
  226    H1*    A  21           H1*        A  21  -6.358  24.451   2.474
  227    H8     A  21           H8         A  21  -5.740  21.760   5.102
  228   1H6     A  21          1H6         A  21  -0.464  20.580   2.134
  229   2H6     A  21          2H6         A  21  -1.414  20.256   3.567
  230    H2     A  21           H2         A  21  -2.851  23.433  -0.387
  231   1H5*    A  22          1H5*        A  22 -10.360  19.173   0.286
  232   2H5*    A  22          2H5*        A  22  -8.995  18.286   0.993
  233    H4*    A  22           H4*        A  22  -9.047  20.318  -1.176
  234    H3*    A  22           H3*        A  22  -7.573  17.781  -0.575
  235    H2*    A  22           H2*        A  22  -5.542  18.535  -1.422
  236   2HO*    A  22          2HO*        A  22  -6.313  20.855  -2.653
  237    H1*    A  22           H1*        A  22  -5.679  21.211  -0.788
  238    H8     A  22           H8         A  22  -6.706  20.103   2.450
  239   1H6     A  22          1H6         A  22  -1.096  17.747   3.505
  240   2H6     A  22          2H6         A  22  -2.610  18.237   4.232
  241    H2     A  22           H2         A  22  -1.462  18.521  -0.908
  242   1H5*    A  23          1H5*        A  23  -6.956  16.620  -5.691
  243   2H5*    A  23          2H5*        A  23  -7.124  15.097  -4.794
  244    H4*    A  23           H4*        A  23  -4.857  15.905  -6.098
  245    H3*    A  23           H3*        A  23  -5.364  13.938  -3.896
  246    H2*    A  23           H2*        A  23  -3.116  13.835  -3.238
  247   2HO*    A  23          2HO*        A  23  -1.837  15.314  -5.082
  248    H1*    A  23           H1*        A  23  -2.413  16.442  -3.517
  249    H8     A  23           H8         A  23  -6.019  16.051  -2.289
  250   1H6     A  23          1H6         A  23  -3.662  16.005   3.423
  251   2H6     A  23          2H6         A  23  -5.137  16.041   2.479
  252    H2     A  23           H2         A  23  -0.234  15.897   0.502
  253   1H5*    C  24          1H5*        C  24  -2.906  11.799  -5.819
  254   2H5*    C  24          2H5*        C  24  -3.150  10.042  -5.893
  255    H4*    C  24           H4*        C  24  -1.452  10.807  -4.196
  256    H3*    C  24           H3*        C  24  -3.869   9.203  -3.337
  257    H2*    C  24           H2*        C  24  -3.150   9.303  -1.100
  258   2HO*    C  24          2HO*        C  24  -0.617  10.015  -2.187
  259    H1*    C  24           H1*        C  24  -2.147  11.883  -1.137
  260   1H4     C  24          1H4         C  24  -7.964  12.285   1.448
  261   2H4     C  24          2H4         C  24  -8.686  12.285  -0.146
  262    H5     C  24           H5         C  24  -7.410  11.999  -2.173
  263    H6     C  24           H6         C  24  -5.175  11.624  -3.105
  264   1H5*    U  25          1H5*        U  25  -1.016   7.916  -1.426
  265   2H5*    U  25          2H5*        U  25  -0.617   6.188  -1.336
  266    H4*    U  25           H4*        U  25  -0.883   7.055   0.907
  267    H3*    U  25           H3*        U  25  -3.131   5.254  -0.016
  268    H2*    U  25           H2*        U  25  -4.233   5.570   2.025
  269   2HO*    U  25          2HO*        U  25  -1.937   6.712   3.223
  270    H1*    U  25           H1*        U  25  -3.377   8.198   2.521
  271    H3     U  25           H3         U  25  -7.905   8.496   2.398
  272    H5     U  25           H5         U  25  -6.771   8.022  -1.635
  273    H6     U  25           H6         U  25  -4.504   7.612  -0.882
  274   1H5*    U  26          1H5*        U  26  -2.356   4.413   3.507
  275   2H5*    U  26          2H5*        U  26  -1.611   2.859   3.934
  276    H4*    U  26           H4*        U  26  -3.220   2.954   5.561
  277    H3*    U  26           H3*        U  26  -4.614   1.725   3.172
  278    H2*    U  26           H2*        U  26  -6.638   1.743   4.347
  279   2HO*    U  26          2HO*        U  26  -5.159   2.130   6.751
  280    H1*    U  26           H1*        U  26  -6.193   4.076   5.839
  281    H3     U  26           H3         U  26  -9.762   5.472   3.491
  282    H5     U  26           H5         U  26  -6.922   4.618   0.498
  283    H6     U  26           H6         U  26  -5.438   3.794   2.231
  284   1H5*    G  27          1H5*        G  27  -5.549  -0.050   6.752
  285   2H5*    G  27          2H5*        G  27  -6.097  -1.737   6.703
  286    H4*    G  27           H4*        G  27  -7.793  -0.101   7.585
  287    H3*    G  27           H3*        G  27  -8.452  -1.743   5.124
  288    H2*    G  27           H2*        G  27 -10.543  -0.712   5.036
  289   2HO*    G  27          2HO*        G  27 -10.174  -0.480   7.814
  290    H1*    G  27           H1*        G  27  -9.767   1.737   6.257
  291    H8     G  27           H8         G  27  -7.947   0.572   3.066
  292    H1     G  27           H1         G  27 -13.152   4.163   2.058
  293   1H2     G  27          1H2         G  27 -14.211   4.508   3.981
  294   2H2     G  27          2H2         G  27 -13.633   3.856   5.498
  295   1H5*    G  28          1H5*        G  28 -11.414  -3.153   8.495
  296   2H5*    G  28          2H5*        G  28 -11.461  -4.910   8.246
  297    H4*    G  28           H4*        G  28 -13.725  -4.103   8.414
  298    H3*    G  28           H3*        G  28 -12.887  -4.908   5.626
  299    H2*    G  28           H2*        G  28 -14.980  -4.258   4.771
  300   2HO*    G  28          2HO*        G  28 -15.843  -4.412   7.472
  301    H1*    G  28           H1*        G  28 -15.363  -2.012   6.314
  302    H8     G  28           H8         G  28 -11.783  -2.524   5.006
  303    H1     G  28           H1         G  28 -15.629   0.639   0.982
  304   1H2     G  28          1H2         G  28 -17.702   0.669   1.785
  305   2H2     G  28          2H2         G  28 -18.143  -0.112   3.286
  306   1H5*    U  29          1H5*        U  29 -16.796  -6.843   6.072
  307   2H5*    U  29          2H5*        U  29 -16.555  -8.506   5.501
  308    H4*    U  29           H4*        U  29 -18.424  -7.393   4.336
  309    H3*    U  29           H3*        U  29 -15.994  -8.116   2.683
  310    H2*    U  29           H2*        U  29 -16.995  -7.185   0.789
  311   2HO*    U  29          2HO*        U  29 -19.452  -7.553   2.176
  312    H1*    U  29           H1*        U  29 -18.491  -5.181   2.091
  313    H3     U  29           H3         U  29 -15.909  -2.811  -0.772
  314    H5     U  29           H5         U  29 -13.176  -4.285   2.081
  315    H6     U  29           H6         U  29 -14.986  -5.583   3.045
  316   1H5*    U  30          1H5*        U  30 -19.862  -9.684   0.931
  317   2H5*    U  30          2H5*        U  30 -19.505 -11.217   0.113
  318    H4*    U  30           H4*        U  30 -20.751  -9.587  -1.310
  319    H3*    U  30           H3*        U  30 -17.998 -10.492  -2.185
  320    H2*    U  30           H2*        U  30 -18.186  -9.152  -4.113
  321   2HO*    U  30          2HO*        U  30 -20.053  -9.266  -5.074
  322    H1*    U  30           H1*        U  30 -19.501  -7.013  -2.942
  323    H3     U  30           H3         U  30 -15.487  -5.225  -3.984
  324    H5     U  30           H5         U  30 -14.632  -7.823  -0.776
  325    H6     U  30           H6         U  30 -16.928  -8.602  -0.882
  326   1H5*    C  31          1H5*        C  31 -20.295 -11.000  -5.626
  327   2H5*    C  31          2H5*        C  31 -19.723 -12.409  -6.540
  328    H4*    C  31           H4*        C  31 -19.502 -10.214  -7.747
  329    H3*    C  31           H3*        C  31 -17.040 -11.887  -7.198
  330    H2*    C  31           H2*        C  31 -15.711 -10.263  -8.214
  331   2HO*    C  31          2HO*        C  31 -16.434  -8.922  -9.818
  332    H1*    C  31           H1*        C  31 -17.342  -8.021  -7.618
  333   1H4     C  31          1H4         C  31 -12.102  -7.254  -4.102
  334   2H4     C  31          2H4         C  31 -12.606  -8.533  -3.021
  335    H5     C  31           H5         C  31 -14.581  -9.866  -3.382
  336    H6     C  31           H6         C  31 -16.483 -10.278  -4.874
  337   1H5*    U  32          1H5*        U  32 -17.107 -11.416 -11.746
  338   2H5*    U  32          2H5*        U  32 -16.813 -13.071 -12.316
  339    H4*    U  32           H4*        U  32 -15.289 -11.540 -13.429
  340    H3*    U  32           H3*        U  32 -14.072 -13.451 -11.443
  341    H2*    U  32           H2*        U  32 -11.948 -12.482 -11.689
  342   2HO*    U  32          2HO*        U  32 -11.571 -10.956 -13.461
  343    H1*    U  32           H1*        U  32 -12.702  -9.850 -11.922
  344    H3     U  32           H3         U  32 -10.798  -9.813  -7.840
  345    H5     U  32           H5         U  32 -14.302 -12.074  -7.267
  346    H6     U  32           H6         U  32 -14.699 -11.941  -9.657
  347   1H5*    U  33          1H5*        U  33 -11.864 -12.814 -14.889
  348   2H5*    U  33          2H5*        U  33 -11.022 -14.216 -15.579
  349    H4*    U  33           H4*        U  33  -9.558 -12.214 -15.154
  350    H3*    U  33           H3*        U  33  -8.965 -14.889 -13.898
  351    H2*    U  33           H2*        U  33  -7.257 -14.007 -12.602
  352   2HO*    U  33          2HO*        U  33  -6.258 -11.931 -13.298
  353    H1*    U  33           H1*        U  33  -8.147 -11.312 -12.480
  354    H3     U  33           H3         U  33  -7.622 -12.200  -8.093
  355    H5     U  33           H5         U  33 -10.797 -14.720  -9.252
  356    H6     U  33           H6         U  33 -10.415 -14.037 -11.548
  357   1H5*    C  34          1H5*        C  34  -4.026 -15.849 -14.927
  358   2H5*    C  34          2H5*        C  34  -5.214 -15.800 -13.608
  359    H4*    C  34           H4*        C  34  -3.393 -13.454 -14.157
  360    H3*    C  34           H3*        C  34  -2.657 -16.030 -12.811
  361    H2*    C  34           H2*        C  34  -1.904 -15.002 -10.870
  362   2HO*    C  34          2HO*        C  34  -0.406 -13.624 -11.693
  363    H1*    C  34           H1*        C  34  -3.507 -12.716 -10.857
  364   1H4     C  34          1H4         C  34  -5.744 -16.704  -6.378
  365   2H4     C  34          2H4         C  34  -6.935 -17.257  -7.533
  366    H5     C  34           H5         C  34  -6.937 -16.591  -9.846
  367    H6     C  34           H6         C  34  -5.792 -15.264 -11.556
  368   1H5*    C  35          1H5*        C  35   2.182 -16.973 -13.073
  369   2H5*    C  35          2H5*        C  35   0.991 -17.621 -11.928
  370    H4*    C  35           H4*        C  35   3.221 -15.651 -11.450
  371    H3*    C  35           H3*        C  35   2.502 -18.357 -10.453
  372    H2*    C  35           H2*        C  35   2.656 -17.865  -8.190
  373   2HO*    C  35          2HO*        C  35   4.813 -16.672  -8.886
  374    H1*    C  35           H1*        C  35   1.917 -15.221  -8.131
  375   1H4     C  35          1H4         C  35  -3.239 -18.664  -6.523
  376   2H4     C  35          2H4         C  35  -3.801 -18.502  -8.170
  377    H5     C  35           H5         C  35  -2.479 -17.531  -9.926
  378    H6     C  35           H6         C  35  -0.332 -16.494 -10.489
  379   1H5*    U  36          1H5*        U  36   5.984 -21.283 -10.080
  380   2H5*    U  36          2H5*        U  36   4.499 -21.946  -9.368
  381    H4*    U  36           H4*        U  36   6.724 -20.406  -8.086
  382    H3*    U  36           H3*        U  36   5.266 -22.947  -7.579
  383    H2*    U  36           H2*        U  36   4.863 -22.583  -5.321
  384   2HO*    U  36          2HO*        U  36   6.160 -21.176  -4.071
  385    H1*    U  36           H1*        U  36   4.609 -19.854  -5.221
  386    H3     U  36           H3         U  36   0.599 -21.994  -4.312
  387    H5     U  36           H5         U  36   0.633 -21.161  -8.443
  388    H6     U  36           H6         U  36   2.976 -20.565  -8.236
  389   1H5*    A  37          1H5*        A  37   8.198 -26.124  -4.905
  390   2H5*    A  37          2H5*        A  37   6.566 -26.321  -5.576
  391    H4*    A  37           H4*        A  37   7.311 -25.286  -2.823
  392    H3*    A  37           H3*        A  37   6.934 -27.916  -3.557
  393    H2*    A  37           H2*        A  37   4.691 -27.837  -4.219
  394   2HO*    A  37          2HO*        A  37   3.448 -28.560  -2.576
  395    H1*    A  37           H1*        A  37   3.890 -25.770  -2.217
  396    H8     A  37           H8         A  37   4.306 -25.835  -6.095
  397   1H6     A  37          1H6         A  37  -1.757 -24.668  -6.220
  398   2H6     A  37          2H6         A  37  -0.317 -24.896  -7.185
  399    H2     A  37           H2         A  37  -0.525 -25.114  -1.921
  400   1H5*    A  38          1H5*        A  38   8.887 -27.582   1.241
  401   2H5*    A  38          2H5*        A  38   8.667 -29.298   1.643
  402    H4*    A  38           H4*        A  38   8.402 -27.908   3.635
  403    H3*    A  38           H3*        A  38   6.041 -29.431   2.602
  404    H2*    A  38           H2*        A  38   4.504 -28.351   3.974
  405   2HO*    A  38          2HO*        A  38   6.750 -27.873   5.632
  406    H1*    A  38           H1*        A  38   5.659 -25.844   4.166
  407    H8     A  38           H8         A  38   5.858 -26.503   0.544
  408   1H6     A  38          1H6         A  38  -0.183 -25.285   0.129
  409   2H6     A  38          2H6         A  38   1.300 -25.526  -0.766
  410    H2     A  38           H2         A  38   0.839 -25.745   4.482
  411   1H5*    G  39          1H5*        G  39   4.368 -32.254   6.953
  412   2H5*    G  39          2H5*        G  39   3.933 -32.157   5.235
  413    H4*    G  39           H4*        G  39   3.042 -30.416   7.528
  414    H3*    G  39           H3*        G  39   1.720 -32.224   5.569
  415    H2*    G  39           H2*        G  39   0.085 -30.714   4.885
  416   2HO*    G  39          2HO*        G  39  -0.655 -29.055   6.170
  417    H1*    G  39           H1*        G  39   1.427 -28.342   5.032
  418    H8     G  39           H8         G  39   4.027 -30.529   3.584
  419    H1     G  39           H1         G  39  -0.620 -29.303  -0.645
  420   1H2     G  39          1H2         G  39  -2.370 -28.409   0.386
  421   2H2     G  39          2H2         G  39  -2.396 -28.115   2.110
  422   1H5*    U  40          1H5*        U  40  -1.909 -31.091   8.022
  423   2H5*    U  40          2H5*        U  40  -2.563 -32.696   8.410
  424    H4*    U  40           H4*        U  40  -4.194 -31.151   7.287
  425    H3*    U  40           H3*        U  40  -3.489 -33.837   6.138
  426    H2*    U  40           H2*        U  40  -4.687 -33.448   4.168
  427   2HO*    U  40          2HO*        U  40  -6.613 -32.668   4.499
  428    H1*    U  40           H1*        U  40  -4.189 -30.763   3.845
  429    H3     U  40           H3         U  40  -1.969 -32.798   0.434
  430    H5     U  40           H5         U  40   0.503 -33.358   3.802
  431    H6     U  40           H6         U  40  -1.273 -32.436   5.176
  432   1H5*    C  41          1H5*        C  41  -7.638 -33.384   5.927
  433   2H5*    C  41          2H5*        C  41  -8.581 -34.789   6.462
  434    H4*    C  41           H4*        C  41  -9.259 -34.099   4.216
  435    H3*    C  41           H3*        C  41  -7.855 -36.760   4.471
  436    H2*    C  41           H2*        C  41  -7.903 -37.068   2.151
  437   2HO*    C  41          2HO*        C  41  -9.672 -34.904   1.742
  438    H1*    C  41           H1*        C  41  -7.561 -34.427   1.373
  439   1H4     C  41          1H4         C  41  -1.809 -37.072   0.708
  440   2H4     C  41          2H4         C  41  -1.571 -37.053   2.440
  441    H5     C  41           H5         C  41  -3.259 -36.333   3.998
  442    H6     C  41           H6         C  41  -5.549 -35.489   4.235
  443   1H5*    C  42          1H5*        C  42 -10.989 -37.198   2.001
  444   2H5*    C  42          2H5*        C  42 -12.172 -38.447   2.440
  445    H4*    C  42           H4*        C  42 -11.673 -38.772   0.136
  446    H3*    C  42           H3*        C  42 -10.282 -40.770   1.923
  447    H2*    C  42           H2*        C  42  -9.197 -41.729   0.072
  448   2HO*    C  42          2HO*        C  42 -11.314 -40.554  -1.370
  449    H1*    C  42           H1*        C  42  -8.726 -39.416  -1.360
  450   1H4     C  42          1H4         C  42  -3.238 -40.444   1.683
  451   2H4     C  42          2H4         C  42  -3.954 -39.970   3.206
  452    H5     C  42           H5         C  42  -6.281 -39.409   3.452
  453    H6     C  42           H6         C  42  -8.429 -39.186   2.295
  454   1H5*    U  43          1H5*        U  43 -11.394 -42.454  -1.613
  455   2H5*    U  43          2H5*        U  43 -12.090 -44.077  -1.440
  456    H4*    U  43           H4*        U  43 -10.116 -43.938  -2.993
  457    H3*    U  43           H3*        U  43 -10.065 -45.745  -0.584
  458    H2*    U  43           H2*        U  43  -7.848 -46.257  -0.907
  459   2HO*    U  43          2HO*        U  43  -7.972 -47.244  -2.857
  460    H1*    U  43           H1*        U  43  -7.192 -44.001  -2.592
  461    H3     U  43           H3         U  43  -3.610 -44.002   0.139
  462    H5     U  43           H5         U  43  -6.840 -43.191   2.726
  463    H6     U  43           H6         U  43  -8.342 -43.579   0.860
  464    H3T    U  43           H3T        U  43 -10.575 -45.880  -3.335
  465   1H5*    G  44          1H5*        G  44  -9.204  43.869   1.838
  466   2H5*    G  44          2H5*        G  44  -8.878  42.287   1.102
  467    H4*    G  44           H4*        G  44  -8.551  44.118  -0.507
  468    H3*    G  44           H3*        G  44  -6.264  42.359   0.268
  469    H2*    G  44           H2*        G  44  -4.623  43.710  -0.707
  470   2HO*    G  44          2HO*        G  44  -6.775  44.735  -2.239
  471    H1*    G  44           H1*        G  44  -5.608  46.185  -0.153
  472    H8     G  44           H8         G  44  -6.458  44.393   2.967
  473    H1     G  44           H1         G  44  -0.149  45.391   2.490
  474   1H2     G  44          1H2         G  44   0.362  46.039   0.431
  475   2H2     G  44          2H2         G  44  -0.843  46.224  -0.824
  476    H5T    G  44           H5T        G  44  -6.697  42.564   2.031
  477   1H5*    G  45          1H5*        G  45  -5.266  43.329  -3.136
  478   2H5*    G  45          2H5*        G  45  -4.974  42.074  -4.356
  479    H4*    G  45           H4*        G  45  -3.007  43.501  -4.115
  480    H3*    G  45           H3*        G  45  -2.741  40.652  -3.154
  481    H2*    G  45           H2*        G  45  -0.607  41.061  -2.330
  482   2HO*    G  45          2HO*        G  45   0.564  41.812  -3.942
  483    H1*    G  45           H1*        G  45  -0.875  43.845  -1.843
  484    H8     G  45           H8         G  45  -3.513  41.976   0.050
  485    H1     G  45           H1         G  45   2.223  41.704   2.885
  486   1H2     G  45          1H2         G  45   3.788  42.449   1.499
  487   2H2     G  45          2H2         G  45   3.421  43.010  -0.116
  488   1H5*    G  46          1H5*        G  46   0.382  41.266  -5.838
  489   2H5*    G  46          2H5*        G  46   0.674  39.975  -7.020
  490    H4*    G  46           H4*        G  46   2.703  40.397  -5.753
  491    H3*    G  46           H3*        G  46   1.315  37.774  -5.210
  492    H2*    G  46           H2*        G  46   2.835  37.240  -3.522
  493   2HO*    G  46          2HO*        G  46   4.912  38.040  -3.453
  494    H1*    G  46           H1*        G  46   3.395  39.834  -2.619
  495    H8     G  46           H8         G  46  -0.322  38.972  -2.932
  496    H1     G  46           H1         G  46   2.314  37.313   2.662
  497   1H2     G  46          1H2         G  46   4.510  37.592   2.571
  498   2H2     G  46          2H2         G  46   5.328  38.181   1.141
  499   1H5*    A  47          1H5*        A  47   5.593  36.950  -6.187
  500   2H5*    A  47          2H5*        A  47   5.648  35.569  -7.301
  501    H4*    A  47           H4*        A  47   7.195  35.233  -5.439
  502    H3*    A  47           H3*        A  47   4.809  33.408  -5.623
  503    H2*    A  47           H2*        A  47   5.303  32.392  -3.580
  504   2HO*    A  47          2HO*        A  47   7.837  33.460  -3.212
  505    H1*    A  47           H1*        A  47   6.429  34.568  -2.253
  506    H8     A  47           H8         A  47   3.105  35.144  -4.114
  507   1H6     A  47          1H6         A  47   0.377  33.834   1.266
  508   2H6     A  47          2H6         A  47   0.131  34.382  -0.376
  509    H2     A  47           H2         A  47   4.787  33.090   1.738
  510   1H5*    U  48          1H5*        U  48   7.972  30.798  -4.634
  511   2H5*    U  48          2H5*        U  48   7.784  29.277  -5.530
  512    H4*    U  48           H4*        U  48   7.735  29.038  -3.025
  513    H3*    U  48           H3*        U  48   5.477  28.086  -4.769
  514    H2*    U  48           H2*        U  48   4.105  27.609  -2.957
  515   2HO*    U  48          2HO*        U  48   6.357  27.613  -1.220
  516    H1*    U  48           H1*        U  48   5.076  29.502  -1.125
  517    H3     U  48           H3         U  48   0.749  30.737  -1.407
  518    H5     U  48           H5         U  48   2.301  31.657  -5.216
  519    H6     U  48           H6         U  48   4.381  30.599  -4.552
  520   1H5*    A  49          1H5*        A  49   8.886  24.387  -1.537
  521   2H5*    A  49          2H5*        A  49   7.486  23.314  -1.735
  522    H4*    A  49           H4*        A  49   8.206  25.011   0.671
  523    H3*    A  49           H3*        A  49   8.912  22.384   0.149
  524    H2*    A  49           H2*        A  49   6.791  21.397   0.186
  525   2HO*    A  49          2HO*        A  49   7.300  20.319   1.937
  526    H1*    A  49           H1*        A  49   5.706  23.256   2.266
  527    H8     A  49           H8         A  49   5.047  22.490  -1.508
  528   1H6     A  49          1H6         A  49  -0.719  21.240   0.340
  529   2H6     A  49          2H6         A  49   0.358  21.329  -1.034
  530    H2     A  49           H2         A  49   1.690  22.344   3.966
  531   1H5*    U  50          1H5*        U  50   9.791  21.092   5.690
  532   2H5*    U  50          2H5*        U  50   9.102  19.816   4.666
  533    H4*    U  50           H4*        U  50   8.145  20.132   7.046
  534    H3*    U  50           H3*        U  50   6.917  19.145   4.760
  535    H2*    U  50           H2*        U  50   5.704  21.069   4.164
  536   2HO*    U  50          2HO*        U  50   3.743  20.439   4.565
  537    H1*    U  50           H1*        U  50   5.235  21.835   7.034
  538    H3     U  50           H3         U  50   6.623  26.331   5.687
  539    H5     U  50           H5         U  50   3.580  24.717   3.258
  540    H6     U  50           H6         U  50   4.025  22.548   4.253
  541   1H5*    G  51          1H5*        G  51   2.809  19.482   6.350
  542   2H5*    G  51          2H5*        G  51   2.757  17.870   7.092
  543    H4*    G  51           H4*        G  51   0.704  18.159   5.905
  544    H3*    G  51           H3*        G  51   2.672  16.307   4.605
  545    H2*    G  51           H2*        G  51   1.461  16.149   2.632
  546   2HO*    G  51          2HO*        G  51  -0.504  15.667   3.974
  547    H1*    G  51           H1*        G  51   0.250  18.657   2.591
  548    H8     G  51           H8         G  51   3.900  19.169   3.239
  549    H1     G  51           H1         G  51   2.666  17.840  -2.900
  550   1H2     G  51          1H2         G  51   0.572  17.149  -3.121
  551   2H2     G  51          2H2         G  51  -0.521  17.012  -1.763
  552   1H5*    G  52          1H5*        G  52   2.213  11.981   4.400
  553   2H5*    G  52          2H5*        G  52   3.434  12.698   3.329
  554    H4*    G  52           H4*        G  52   0.534  12.122   2.815
  555    H3*    G  52           H3*        G  52   3.145  11.500   1.507
  556    H2*    G  52           H2*        G  52   2.413  11.979  -0.663
  557   2HO*    G  52          2HO*        G  52   0.546  11.118  -1.121
  558    H1*    G  52           H1*        G  52   0.822  14.120  -0.201
  559    H8     G  52           H8         G  52   3.424  14.976   2.207
  560    H1     G  52           H1         G  52   5.686  15.341  -3.773
  561   1H2     G  52          1H2         G  52   4.288  14.329  -5.171
  562   2H2     G  52          2H2         G  52   2.808  13.567  -4.636
  563   1H5*    A  53          1H5*        A  53   0.688   8.222  -0.087
  564   2H5*    A  53          2H5*        A  53   1.574   6.689   0.024
  565    H4*    A  53           H4*        A  53   1.018   7.387  -2.317
  566    H3*    A  53           H3*        A  53   3.870   6.944  -1.459
  567    H2*    A  53           H2*        A  53   4.701   7.678  -3.519
  568   2HO*    A  53          2HO*        A  53   2.079   7.416  -4.606
  569    H1*    A  53           H1*        A  53   2.841   9.646  -4.072
  570    H8     A  53           H8         A  53   3.692  10.204  -0.500
  571   1H6     A  53          1H6         A  53   8.949  12.865  -2.356
  572   2H6     A  53          2H6         A  53   7.876  12.588  -1.002
  573    H2     A  53           H2         A  53   7.119  10.796  -5.902
  574   1H5*    A  54          1H5*        A  54   3.407   4.692  -5.167
  575   2H5*    A  54          2H5*        A  54   4.270   3.148  -5.031
  576    H4*    A  54           H4*        A  54   4.971   4.578  -6.977
  577    H3*    A  54           H3*        A  54   6.971   3.702  -4.893
  578    H2*    A  54           H2*        A  54   8.677   4.917  -5.958
  579   2HO*    A  54          2HO*        A  54   6.979   5.178  -8.234
  580    H1*    A  54           H1*        A  54   7.184   7.096  -6.767
  581    H8     A  54           H8         A  54   6.243   6.156  -3.217
  582   1H6     A  54          1H6         A  54  11.069   9.555  -1.390
  583   2H6     A  54          2H6         A  54   9.647   8.679  -0.869
  584    H2     A  54           H2         A  54  11.290   9.129  -5.859
  585   1H5*    G  55          1H5*        G  55   8.787   1.777  -8.536
  586   2H5*    G  55          2H5*        G  55   9.476   0.251  -7.947
  587    H4*    G  55           H4*        G  55  11.155   1.840  -8.923
  588    H3*    G  55           H3*        G  55  11.418   0.948  -6.043
  589    H2*    G  55           H2*        G  55  13.364   2.255  -5.821
  590   2HO*    G  55          2HO*        G  55  14.730   2.421  -7.410
  591    H1*    G  55           H1*        G  55  12.555   4.390  -7.391
  592    H8     G  55           H8         G  55   9.764   3.252  -5.074
  593    H1     G  55           H1         G  55  14.097   6.997  -2.221
  594   1H2     G  55          1H2         G  55  15.834   7.309  -3.563
  595   2H2     G  55          2H2         G  55  15.928   6.595  -5.157
  596   1H5*    A  56          1H5*        A  56  15.035   0.158  -7.734
  597   2H5*    A  56          2H5*        A  56  15.728  -1.436  -7.375
  598    H4*    A  56           H4*        A  56  17.298   0.311  -6.746
  599    H3*    A  56           H3*        A  56  16.024  -1.175  -4.440
  600    H2*    A  56           H2*        A  56  17.176   0.170  -2.920
  601   2HO*    A  56          2HO*        A  56  18.991   0.643  -5.058
  602    H1*    A  56           H1*        A  56  17.319   2.506  -4.496
  603    H8     A  56           H8         A  56  13.815   1.049  -4.063
  604   1H6     A  56          1H6         A  56  13.434   4.529   1.023
  605   2H6     A  56          2H6         A  56  12.557   3.497  -0.082
  606    H2     A  56           H2         A  56  17.673   4.720  -0.470
  607   1H5*    A  57          1H5*        A  57  20.353  -1.433  -3.862
  608   2H5*    A  57          2H5*        A  57  20.774  -3.126  -3.540
  609    H4*    A  57           H4*        A  57  21.819  -1.802  -1.844
  610    H3*    A  57           H3*        A  57  19.360  -3.254  -0.844
  611    H2*    A  57           H2*        A  57  19.653  -2.295   1.280
  612   2HO*    A  57          2HO*        A  57  22.247  -1.392   0.544
  613    H1*    A  57           H1*        A  57  20.565   0.195   0.452
  614    H8     A  57           H8         A  57  17.543  -1.332  -1.398
  615   1H6     A  57          1H6         A  57  14.068   1.787   2.639
  616   2H6     A  57          2H6         A  57  14.061   0.797   1.198
  617    H2     A  57           H2         A  57  18.371   2.249   3.871
  618   1H5*    C  58          1H5*        C  58  22.363  -4.230   2.140
  619   2H5*    C  58          2H5*        C  58  22.171  -5.957   2.498
  620    H4*    C  58           H4*        C  58  21.999  -4.585   4.533
  621    H3*    C  58           H3*        C  58  19.480  -6.013   3.649
  622    H2*    C  58           H2*        C  58  18.339  -5.099   5.473
  623   2HO*    C  58          2HO*        C  58  19.606  -4.161   7.266
  624    H1*    C  58           H1*        C  58  19.815  -2.698   5.663
  625   1H4     C  58          1H4         C  58  14.115  -0.894   3.509
  626   2H4     C  58          2H4         C  58  14.413  -1.669   1.970
  627    H5     C  58           H5         C  58  16.403  -2.936   1.492
  628    H6     C  58           H6         C  58  18.517  -3.782   2.401
  629   1H5*    C  59          1H5*        C  59  20.009  -6.331   7.475
  630   2H5*    C  59          2H5*        C  59  19.716  -7.881   8.293
  631    H4*    C  59           H4*        C  59  18.364  -6.134   9.315
  632    H3*    C  59           H3*        C  59  16.833  -8.186   7.703
  633    H2*    C  59           H2*        C  59  14.843  -7.055   8.127
  634   2HO*    C  59          2HO*        C  59  15.599  -7.013  10.512
  635    H1*    C  59           H1*        C  59  15.950  -4.455   8.437
  636   1H4     C  59          1H4         C  59  12.503  -4.133   3.111
  637   2H4     C  59          2H4         C  59  13.595  -5.226   2.288
  638    H5     C  59           H5         C  59  15.493  -6.259   3.366
  639    H6     C  59           H6         C  59  16.704  -6.521   5.480
  640   1H5*    G  60          1H5*        G  60  15.794  -7.946  12.384
  641   2H5*    G  60          2H5*        G  60  15.277  -9.597  12.780
  642    H4*    G  60           H4*        G  60  13.822  -7.881  13.810
  643    H3*    G  60           H3*        G  60  12.612  -9.729  11.746
  644    H2*    G  60           H2*        G  60  10.539  -8.645  11.964
  645   2HO*    G  60          2HO*        G  60  10.084  -7.260  13.738
  646    H1*    G  60           H1*        G  60  11.483  -6.064  12.295
  647    H8     G  60           H8         G  60  13.397  -7.828   9.547
  648    H1     G  60           H1         G  60   7.760  -5.485   7.618
  649   1H2     G  60          1H2         G  60   6.574  -4.823   9.372
  650   2H2     G  60          2H2         G  60   7.169  -4.954  11.013
  651   1H5*    G  61          1H5*        G  61   9.556  -9.133  14.027
  652   2H5*    G  61          2H5*        G  61   9.307 -10.586  15.014
  653    H4*    G  61           H4*        G  61   7.150 -10.152  14.298
  654    H3*    G  61           H3*        G  61   8.403 -12.020  12.280
  655    H2*    G  61           H2*        G  61   6.542 -11.838  10.893
  656   2HO*    G  61          2HO*        G  61   4.653 -10.671  12.360
  657    H1*    G  61           H1*        G  61   5.710  -9.243  11.681
  658    H8     G  61           H8         G  61   9.305  -9.571  10.428
  659    H1     G  61           H1         G  61   5.010  -8.648   5.778
  660   1H2     G  61          1H2         G  61   2.953  -8.774   6.604
  661   2H2     G  61          2H2         G  61   2.639  -9.087   8.296
  662   1H5*    G  62          1H5*        G  62   4.541 -12.843  12.543
  663   2H5*    G  62          2H5*        G  62   4.238 -14.465  13.196
  664    H4*    G  62           H4*        G  62   2.769 -14.251  11.356
  665    H3*    G  62           H3*        G  62   5.223 -15.854  10.647
  666    H2*    G  62           H2*        G  62   4.623 -15.927   8.407
  667   2HO*    G  62          2HO*        G  62   2.031 -15.884   9.473
  668    H1*    G  62           H1*        G  62   3.042 -13.564   8.313
  669    H8     G  62           H8         G  62   6.737 -13.464   9.413
  670    H1     G  62           H1         G  62   5.766 -12.488   3.159
  671   1H2     G  62          1H2         G  62   3.623 -12.786   2.666
  672   2H2     G  62          2H2         G  62   2.434 -13.224   3.875
  673   1H5*    G  63          1H5*        G  63   5.296 -20.209   9.616
  674   2H5*    G  63          2H5*        G  63   6.527 -19.077   9.020
  675    H4*    G  63           H4*        G  63   3.703 -19.489   8.014
  676    H3*    G  63           H3*        G  63   6.439 -19.975   6.913
  677    H2*    G  63           H2*        G  63   6.011 -18.959   4.849
  678   2HO*    G  63          2HO*        G  63   3.556 -18.334   4.598
  679    H1*    G  63           H1*        G  63   4.479 -16.860   5.635
  680    H8     G  63           H8         G  63   6.825 -16.903   8.455
  681    H1     G  63           H1         G  63   9.817 -15.211   3.057
  682   1H2     G  63          1H2         G  63   8.527 -15.620   1.313
  683   2H2     G  63          2H2         G  63   6.933 -16.322   1.467
  684   1H5*    A  64          1H5*        A  64   7.828 -23.809   6.471
  685   2H5*    A  64          2H5*        A  64   8.400 -22.204   5.974
  686    H4*    A  64           H4*        A  64   9.159 -24.348   4.659
  687    H3*    A  64           H3*        A  64   8.497 -21.631   3.632
  688    H2*    A  64           H2*        A  64   8.201 -22.270   1.412
  689   2HO*    A  64          2HO*        A  64   9.527 -23.633   0.514
  690    H1*    A  64           H1*        A  64   7.151 -24.780   1.700
  691    H8     A  64           H8         A  64   5.670 -22.397   4.278
  692   1H6     A  64          1H6         A  64   1.434 -20.998   0.014
  693   2H6     A  64          2H6         A  64   1.905 -20.817   1.690
  694    H2     A  64           H2         A  64   4.590 -23.513  -1.958
  695   1H5*    A  65          1H5*        A  65  11.435 -19.460   1.033
  696   2H5*    A  65          2H5*        A  65  10.004 -18.558   1.571
  697    H4*    A  65           H4*        A  65  10.459 -20.117  -0.893
  698    H3*    A  65           H3*        A  65   8.847 -17.727  -0.067
  699    H2*    A  65           H2*        A  65   7.069 -18.213  -1.493
  700   2HO*    A  65          2HO*        A  65   9.044 -19.584  -2.952
  701    H1*    A  65           H1*        A  65   7.074 -20.954  -1.393
  702    H8     A  65           H8         A  65   7.534 -20.319   2.162
  703   1H6     A  65          1H6         A  65   1.633 -18.541   2.536
  704   2H6     A  65          2H6         A  65   3.049 -19.025   3.441
  705    H2     A  65           H2         A  65   2.775 -18.640  -1.813
  706   1H5*    A  66          1H5*        A  66   9.212 -15.767  -5.063
  707   2H5*    A  66          2H5*        A  66   8.938 -14.430  -3.929
  708    H4*    A  66           H4*        A  66   7.173 -15.317  -5.877
  709    H3*    A  66           H3*        A  66   6.929 -13.518  -3.494
  710    H2*    A  66           H2*        A  66   4.591 -13.691  -3.391
  711   2HO*    A  66          2HO*        A  66   3.823 -13.367  -5.366
  712    H1*    A  66           H1*        A  66   4.278 -16.315  -4.010
  713    H8     A  66           H8         A  66   7.413 -15.676  -1.902
  714   1H6     A  66          1H6         A  66   3.781 -16.497   3.027
  715   2H6     A  66          2H6         A  66   5.433 -16.298   2.477
  716    H2     A  66           H2         A  66   1.157 -16.411  -0.635
  717   1H5*    C  67          1H5*        C  67   4.588 -11.613  -5.758
  718   2H5*    C  67          2H5*        C  67   4.549  -9.841  -5.661
  719    H4*    C  67           H4*        C  67   2.636 -11.006  -4.510
  720    H3*    C  67           H3*        C  67   4.471  -9.171  -2.957
  721    H2*    C  67           H2*        C  67   3.248  -9.594  -0.996
  722   2HO*    C  67          2HO*        C  67   1.207 -10.302  -2.805
  723    H1*    C  67           H1*        C  67   2.699 -12.275  -1.464
  724   1H4     C  67          1H4         C  67   7.636 -12.175   2.567
  725   2H4     C  67          2H4         C  67   8.730 -11.815   1.250
  726    H5     C  67           H5         C  67   7.992 -11.436  -1.014
  727    H6     C  67           H6         C  67   6.045 -11.286  -2.493
  728   1H5*    U  68          1H5*        U  68   1.089  -8.487  -1.537
  729   2H5*    U  68          2H5*        U  68   0.440  -6.850  -1.762
  730    H4*    U  68           H4*        U  68   0.122  -7.305   0.526
  731    H3*    U  68           H3*        U  68   2.641  -5.669   0.143
  732    H2*    U  68           H2*        U  68   3.017  -5.730   2.464
  733   2HO*    U  68          2HO*        U  68   1.207  -6.586   3.841
  734    H1*    U  68           H1*        U  68   2.032  -8.301   2.927
  735    H3     U  68           H3         U  68   6.371  -8.807   4.039
  736    H5     U  68           H5         U  68   6.478  -8.211  -0.133
  737    H6     U  68           H6         U  68   4.091  -7.789  -0.068
  738   1H5*    U  69          1H5*        U  69   0.662  -4.560   3.145
  739   2H5*    U  69          2H5*        U  69   0.129  -2.883   3.371
  740    H4*    U  69           H4*        U  69   1.110  -3.494   5.429
  741    H3*    U  69           H3*        U  69   3.117  -1.951   3.765
  742    H2*    U  69           H2*        U  69   4.671  -2.185   5.495
  743   2HO*    U  69          2HO*        U  69   4.117  -2.413   7.614
  744    H1*    U  69           H1*        U  69   3.759  -4.682   6.452
  745    H3     U  69           H3         U  69   8.028  -5.725   5.453
  746    H5     U  69           H5         U  69   6.369  -4.717   1.716
  747    H6     U  69           H6         U  69   4.333  -4.072   2.865
  748   1H5*    G  70          1H5*        G  70   3.046  -0.820   7.398
  749   2H5*    G  70          2H5*        G  70   3.227   0.879   7.880
  750    H4*    G  70           H4*        G  70   4.973  -0.392   8.936
  751    H3*    G  70           H3*        G  70   5.989   1.256   6.603
  752    H2*    G  70           H2*        G  70   8.131   0.428   7.006
  753   2HO*    G  70          2HO*        G  70   8.082  -0.755   9.363
  754    H1*    G  70           H1*        G  70   7.323  -2.040   8.176
  755    H8     G  70           H8         G  70   6.299  -1.091   4.567
  756    H1     G  70           H1         G  70  11.738  -4.427   5.100
  757   1H2     G  70          1H2         G  70  12.260  -4.674   7.244
  758   2H2     G  70          2H2         G  70  11.270  -4.020   8.530
  759   1H5*    G  71          1H5*        G  71   7.789   2.625  10.880
  760   2H5*    G  71          2H5*        G  71   8.048   4.362  10.623
  761    H4*    G  71           H4*        G  71   9.972   3.364  11.753
  762    H3*    G  71           H3*        G  71  10.409   4.341   8.930
  763    H2*    G  71           H2*        G  71  12.636   3.583   8.967
  764   2HO*    G  71          2HO*        G  71  13.805   3.434  10.758
  765    H1*    G  71           H1*        G  71  12.244   1.240  10.340
  766    H8     G  71           H8         G  71   9.439   1.939   7.851
  767    H1     G  71           H1         G  71  14.608  -0.757   5.209
  768   1H2     G  71          1H2         G  71  16.249  -0.863   6.701
  769   2H2     G  71          2H2         G  71  16.084  -0.249   8.329
  770   1H5*    U  72          1H5*        U  72  13.862   6.027  11.291
  771   2H5*    U  72          2H5*        U  72  13.790   7.756  10.896
  772    H4*    U  72           H4*        U  72  16.066   6.949  10.624
  773    H3*    U  72           H3*        U  72  14.621   7.623   8.054
  774    H2*    U  72           H2*        U  72  16.502   6.973   6.809
  775   2HO*    U  72          2HO*        U  72  18.566   6.804   7.711
  776    H1*    U  72           H1*        U  72  17.316   4.852   8.402
  777    H3     U  72           H3         U  72  16.102   2.847   4.525
  778    H5     U  72           H5         U  72  12.444   4.034   6.252
  779    H6     U  72           H6         U  72  13.707   5.193   7.970
  780   1H5*    U  73          1H5*        U  73  18.457   9.172   7.755
  781   2H5*    U  73          2H5*        U  73  18.408  10.905   7.380
  782    H4*    U  73           H4*        U  73  19.959   9.868   5.870
  783    H3*    U  73           H3*        U  73  17.327  10.569   4.547
  784    H2*    U  73           H2*        U  73  18.177   9.747   2.505
  785   2HO*    U  73          2HO*        U  73  20.555  10.509   3.600
  786    H1*    U  73           H1*        U  73  19.543   7.577   3.546
  787    H3     U  73           H3         U  73  16.202   5.600   1.241
  788    H5     U  73           H5         U  73  14.257   7.331   4.560
  789    H6     U  73           H6         U  73  16.359   8.382   5.159
  790   1H5*    C  74          1H5*        C  74  20.480  11.825   1.981
  791   2H5*    C  74          2H5*        C  74  19.998  13.312   1.144
  792    H4*    C  74           H4*        C  74  20.578  11.406  -0.378
  793    H3*    C  74           H3*        C  74  17.756  12.517  -0.502
  794    H2*    C  74           H2*        C  74  17.367  11.055  -2.315
  795   2HO*    C  74          2HO*        C  74  19.887  10.034  -2.647
  796    H1*    C  74           H1*        C  74  18.904   8.933  -1.329
  797   1H4     C  74          1H4         C  74  12.929   7.193  -0.067
  798   2H4     C  74          2H4         C  74  12.837   8.352   1.240
  799    H5     C  74           H5         C  74  14.595   9.922   1.741
  800    H6     C  74           H6         C  74  16.825  10.713   1.101
  801   1H5*    U  75          1H5*        U  75  19.445  13.223  -4.027
  802   2H5*    U  75          2H5*        U  75  18.941  14.528  -5.122
  803    H4*    U  75           H4*        U  75  18.234  12.296  -5.927
  804    H3*    U  75           H3*        U  75  16.059  14.253  -5.152
  805    H2*    U  75           H2*        U  75  14.445  12.657  -5.675
  806   2HO*    U  75          2HO*        U  75  16.258  11.045  -7.119
  807    H1*    U  75           H1*        U  75  16.033  10.356  -5.149
  808    H3     U  75           H3         U  75  12.222   9.738  -2.753
  809    H5     U  75           H5         U  75  14.412  12.598  -0.569
  810    H6     U  75           H6         U  75  15.968  12.730  -2.428
  811   1H5*    U  76          1H5*        U  76  15.567  13.224  -9.252
  812   2H5*    U  76          2H5*        U  76  15.159  14.569 -10.337
  813    H4*    U  76           H4*        U  76  13.540  12.776 -10.607
  814    H3*    U  76           H3*        U  76  12.546  15.305  -9.307
  815    H2*    U  76           H2*        U  76  10.486  14.359  -8.811
  816   2HO*    U  76          2HO*        U  76  10.953  13.042 -11.201
  817    H1*    U  76           H1*        U  76  11.268  11.640  -8.676
  818    H3     U  76           H3         U  76   9.294  12.192  -4.652
  819    H5     U  76           H5         U  76  12.743  14.601  -4.423
  820    H6     U  76           H6         U  76  13.151  14.129  -6.765
  821   1H5*    C  77          1H5*        C  77   8.502  16.966 -12.176
  822   2H5*    C  77          2H5*        C  77   9.027  16.819 -10.487
  823    H4*    C  77           H4*        C  77   7.265  14.814 -11.935
  824    H3*    C  77           H3*        C  77   6.560  17.202 -10.255
  825    H2*    C  77           H2*        C  77   5.069  15.995  -8.931
  826   2HO*    C  77          2HO*        C  77   3.748  14.626  -9.821
  827    H1*    C  77           H1*        C  77   6.309  13.507  -8.965
  828   1H4     C  77          1H4         C  77   7.615  16.162  -3.300
  829   2H4     C  77          2H4         C  77   9.081  16.830  -3.980
  830    H5     C  77           H5         C  77   9.636  16.687  -6.316
  831    H6     C  77           H6         C  77   8.912  15.868  -8.508
  832   1H5*    C  78          1H5*        C  78   2.148  15.311 -11.436
  833   2H5*    C  78          2H5*        C  78   1.612  16.912 -11.986
  834    H4*    C  78           H4*        C  78   0.147  15.738 -10.250
  835    H3*    C  78           H3*        C  78   1.164  18.555  -9.975
  836    H2*    C  78           H2*        C  78   0.427  18.736  -7.783
  837   2HO*    C  78          2HO*        C  78  -1.549  16.943  -8.664
  838    H1*    C  78           H1*        C  78   0.488  16.008  -7.048
  839   1H4     C  78          1H4         C  78   5.200  18.630  -3.682
  840   2H4     C  78          2H4         C  78   6.161  18.830  -5.129
  841    H5     C  78           H5         C  78   5.356  18.294  -7.332
  842    H6     C  78           H6         C  78   3.454  17.456  -8.629
  843   1H5*    U  79          1H5*        U  79  -2.055  21.825  -9.299
  844   2H5*    U  79          2H5*        U  79  -0.595  21.998  -8.304
  845    H4*    U  79           H4*        U  79  -3.104  20.433  -7.621
  846    H3*    U  79           H3*        U  79  -2.036  23.089  -6.758
  847    H2*    U  79           H2*        U  79  -2.230  22.655  -4.483
  848   2HO*    U  79          2HO*        U  79  -4.513  21.889  -4.954
  849    H1*    U  79           H1*        U  79  -1.817  19.917  -4.435
  850    H3     U  79           H3         U  79   1.504  22.127  -2.103
  851    H5     U  79           H5         U  79   2.829  21.838  -6.092
  852    H6     U  79           H6         U  79   0.608  21.079  -6.707
  853   1H5*    A  80          1H5*        A  80  -5.604  25.858  -4.838
  854   2H5*    A  80          2H5*        A  80  -3.951  26.444  -5.115
  855    H4*    A  80           H4*        A  80  -5.094  25.131  -2.642
  856    H3*    A  80           H3*        A  80  -4.804  27.810  -3.193
  857    H2*    A  80           H2*        A  80  -2.481  27.965  -3.369
  858   2HO*    A  80          2HO*        A  80  -1.852  28.896  -1.577
  859    H1*    A  80           H1*        A  80  -1.862  25.868  -1.345
  860    H8     A  80           H8         A  80  -1.652  26.016  -5.236
  861   1H6     A  80          1H6         A  80   4.445  25.501  -4.388
  862   2H6     A  80          2H6         A  80   3.160  25.605  -5.572
  863    H2     A  80           H2         A  80   2.496  25.693  -0.340
  864   1H5*    A  81          1H5*        A  81  -8.415  27.515   1.410
  865   2H5*    A  81          2H5*        A  81  -7.083  28.686   1.320
  866    H4*    A  81           H4*        A  81  -7.715  26.932   3.447
  867    H3*    A  81           H3*        A  81  -5.532  28.911   2.874
  868    H2*    A  81           H2*        A  81  -4.053  27.945   4.384
  869   2HO*    A  81          2HO*        A  81  -4.914  26.486   6.067
  870    H1*    A  81           H1*        A  81  -4.904  25.286   4.266
  871    H8     A  81           H8         A  81  -4.429  26.145   0.720
  872   1H6     A  81          1H6         A  81   1.673  25.668   1.552
  873   2H6     A  81          2H6         A  81   0.387  25.787   0.371
  874    H2     A  81           H2         A  81  -0.273  25.740   5.603
  875   1H5*    G  82          1H5*        G  82  -4.863  31.523   7.647
  876   2H5*    G  82          2H5*        G  82  -4.296  31.503   5.964
  877    H4*    G  82           H4*        G  82  -3.830  29.384   8.087
  878    H3*    G  82           H3*        G  82  -2.115  31.522   6.887
  879    H2*    G  82           H2*        G  82  -0.342  30.093   6.391
  880   2HO*    G  82          2HO*        G  82  -0.302  27.927   7.423
  881    H1*    G  82           H1*        G  82  -1.698  27.775   5.798
  882    H8     G  82           H8         G  82  -3.703  30.298   4.001
  883    H1     G  82           H1         G  82   1.959  29.351   1.165
  884   1H2     G  82          1H2         G  82   3.307  28.222   2.518
  885   2H2     G  82          2H2         G  82   2.815  27.703   4.116
  886   1H5*    U  83          1H5*        U  83   0.866  30.136   9.831
  887   2H5*    U  83          2H5*        U  83   1.194  31.623  10.745
  888    H4*    U  83           H4*        U  83   3.262  30.645   9.843
  889    H3*    U  83           H3*        U  83   2.375  33.344   8.864
  890    H2*    U  83           H2*        U  83   4.048  33.441   7.232
  891   2HO*    U  83          2HO*        U  83   5.485  32.242   9.080
  892    H1*    U  83           H1*        U  83   4.127  30.792   6.490
  893    H3     U  83           H3         U  83   2.415  32.931   2.863
  894    H5     U  83           H5         U  83  -0.806  32.698   5.573
  895    H6     U  83           H6         U  83   0.740  31.847   7.237
  896   1H5*    C  84          1H5*        C  84   6.395  33.867   9.621
  897   2H5*    C  84          2H5*        C  84   6.775  35.307  10.587
  898    H4*    C  84           H4*        C  84   8.002  35.397   8.499
  899    H3*    C  84           H3*        C  84   5.736  37.375   8.765
  900    H2*    C  84           H2*        C  84   6.105  38.162   6.592
  901   2HO*    C  84          2HO*        C  84   8.346  37.018   5.762
  902    H1*    C  84           H1*        C  84   6.915  35.767   5.419
  903   1H4     C  84          1H4         C  84   0.910  36.545   3.485
  904   2H4     C  84          2H4         C  84   0.309  36.150   5.079
  905    H5     C  84           H5         C  84   1.748  35.730   6.965
  906    H6     C  84           H6         C  84   4.073  35.606   7.732
  907   1H5*    C  85          1H5*        C  85   8.975  39.203   7.164
  908   2H5*    C  85          2H5*        C  85   9.509  40.681   7.987
  909    H4*    C  85           H4*        C  85   9.392  41.156   5.638
  910    H3*    C  85           H3*        C  85   7.122  42.358   7.231
  911    H2*    C  85           H2*        C  85   6.178  43.234   5.267
  912   2HO*    C  85          2HO*        C  85   8.003  42.648   3.379
  913    H1*    C  85           H1*        C  85   6.781  41.131   3.572
  914   1H4     C  85          1H4         C  85   0.727  40.071   5.202
  915   2H4     C  85          2H4         C  85   1.208  39.603   6.817
  916    H5     C  85           H5         C  85   3.482  39.704   7.598
  917    H6     C  85           H6         C  85   5.788  40.285   7.006
  918   1H5*    U  86          1H5*        U  86   8.260  44.763   4.328
  919   2H5*    U  86          2H5*        U  86   8.418  46.484   4.730
  920    H4*    U  86           H4*        U  86   6.879  46.016   2.810
  921    H3*    U  86           H3*        U  86   5.886  47.416   5.278
  922    H2*    U  86           H2*        U  86   3.696  47.204   4.651
  923   2HO*    U  86          2HO*        U  86   3.052  47.487   2.477
  924    H1*    U  86           H1*        U  86   4.158  45.274   2.495
  925    H3     U  86           H3         U  86   0.166  43.824   3.994
  926    H5     U  86           H5         U  86   2.750  43.239   7.276
  927    H6     U  86           H6         U  86   4.482  44.394   6.027
  928    H3T    U  86           H3T        U  86   6.692  48.972   4.133
  929   1HO1  MN6 101          1HO1      MN6 101   0.373 -40.319   1.095
  930   2HO1  MN6 101          2HO1      MN6 101  -1.069 -40.183   1.696
  931   1HO2  MN6 101          1HO2      MN6 101  -0.315 -43.677   4.803
  932   2HO2  MN6 101          2HO2      MN6 101   0.683 -44.418   3.850
  933   1HO3  MN6 101          1HO3      MN6 101   1.517 -40.285   3.369
  934   2HO3  MN6 101          2HO3      MN6 101   1.254 -41.109   4.677
  935   1HO4  MN6 101          1HO4      MN6 101  -0.885 -43.559   0.922
  936   2HO4  MN6 101          2HO4      MN6 101  -0.897 -44.443   2.218
  937   1HO5  MN6 101          1HO5      MN6 101  -1.537 -40.715   4.119
  938   2HO5  MN6 101          2HO5      MN6 101  -2.427 -41.626   3.207
  939   1HO6  MN6 101          1HO6      MN6 101   1.623 -43.114   1.165
  940   2HO6  MN6 101          2HO6      MN6 101   2.119 -41.712   1.663
  941   1HO1  MN6 102          1HO1      MN6 102   3.654 -30.960 -11.209
  942   2HO1  MN6 102          2HO1      MN6 102   5.193 -30.942 -11.509
  943   1HO2  MN6 102          1HO2      MN6 102   4.814 -31.107  -6.576
  944   2HO2  MN6 102          2HO2      MN6 102   4.773 -32.662  -6.767
  945   1HO3  MN6 102          1HO3      MN6 102   4.088 -33.971  -8.663
  946   2HO3  MN6 102          2HO3      MN6 102   4.466 -33.817 -10.176
  947   1HO4  MN6 102          1HO4      MN6 102   4.207 -29.305  -9.554
  948   2HO4  MN6 102          2HO4      MN6 102   4.082 -29.525  -8.007
  949   1HO5  MN6 102          1HO5      MN6 102   2.428 -30.990  -8.542
  950   2HO5  MN6 102          2HO5      MN6 102   2.659 -32.464  -8.061
  951   1HO6  MN6 102          1HO6      MN6 102   6.991 -31.064 -10.094
  952   2HO6  MN6 102          2HO6      MN6 102   6.999 -32.576  -9.680
  953   1HO1  MN6 103          1HO1      MN6 103  -8.509 -17.160  -2.929
  954   2HO1  MN6 103          2HO1      MN6 103  -8.929 -15.698  -3.306
  955   1HO2  MN6 103          1HO2      MN6 103  -8.774 -16.006   1.711
  956   2HO2  MN6 103          2HO2      MN6 103  -9.545 -14.719   1.256
  957   1HO3  MN6 103          1HO3      MN6 103 -10.787 -16.269  -1.678
  958   2HO3  MN6 103          2HO3      MN6 103 -10.958 -15.650  -0.247
  959   1HO4  MN6 103          1HO4      MN6 103  -6.181 -15.270  -1.439
  960   2HO4  MN6 103          2HO4      MN6 103  -6.160 -16.407  -0.361
  961   1HO5  MN6 103          1HO5      MN6 103  -9.246 -13.642  -2.030
  962   2HO5  MN6 103          2HO5      MN6 103  -7.717 -13.488  -1.723
  963   1HO6  MN6 103          1HO6      MN6 103  -9.175 -18.054  -1.060
  964   2HO6  MN6 103          2HO6      MN6 103  -7.856 -18.025  -0.214
  965   1HO1  MN6 104          1HO1      MN6 104  -9.887  -2.384  -4.110
  966   2HO1  MN6 104          2HO1      MN6 104  -9.131  -1.066  -3.722
  967   1HO2  MN6 104          1HO2      MN6 104 -11.165  -2.426   0.537
  968   2HO2  MN6 104          2HO2      MN6 104 -10.114  -3.587   0.576
  969   1HO3  MN6 104          1HO3      MN6 104  -7.345  -2.927  -1.912
  970   2HO3  MN6 104          2HO3      MN6 104  -7.678  -3.152  -0.397
  971   1HO4  MN6 104          1HO4      MN6 104 -12.045  -2.343  -2.419
  972   2HO4  MN6 104          2HO4      MN6 104 -11.554  -0.854  -2.398
  973   1HO5  MN6 104          1HO5      MN6 104 -11.123  -4.472  -1.562
  974   2HO5  MN6 104          2HO5      MN6 104  -9.642  -4.826  -1.934
  975   1HO6  MN6 104          1HO6      MN6 104  -9.559  -0.013  -0.722
  976   2HO6  MN6 104          2HO6      MN6 104  -8.241  -0.793  -0.387
  977   1HO1  MN6 105          1HO1      MN6 105 -10.180  11.248   4.671
  978   2HO1  MN6 105          2HO1      MN6 105 -11.100  12.094   3.725
  979   1HO2  MN6 105          1HO2      MN6 105 -13.450  11.240   8.114
  980   2HO2  MN6 105          2HO2      MN6 105 -13.719  12.768   7.890
  981   1HO3  MN6 105          1HO3      MN6 105 -10.794  13.705   7.098
  982   2HO3  MN6 105          2HO3      MN6 105 -11.566  14.378   5.911
  983   1HO4  MN6 105          1HO4      MN6 105 -12.821   9.953   4.719
  984   2HO4  MN6 105          2HO4      MN6 105 -13.269   9.723   6.204
  985   1HO5  MN6 105          1HO5      MN6 105 -10.215  10.725   6.999
  986   2HO5  MN6 105          2HO5      MN6 105 -11.223  10.979   8.173
  987   1HO6  MN6 105          1HO6      MN6 105 -14.259  12.242   4.687
  988   2HO6  MN6 105          2HO6      MN6 105 -13.713  13.652   5.104
  989   1HO1  MN6 106          1HO1      MN6 106  -2.215  37.689   5.957
  990   2HO1  MN6 106          2HO1      MN6 106  -2.135  38.749   7.109
  991   1HO2  MN6 106          1HO2      MN6 106  -3.254  42.030   3.571
  992   2HO2  MN6 106          2HO2      MN6 106  -4.146  40.869   3.008
  993   1HO3  MN6 106          1HO3      MN6 106  -4.801  40.965   6.223
  994   2HO3  MN6 106          2HO3      MN6 106  -3.705  40.556   7.266
  995   1HO4  MN6 106          1HO4      MN6 106  -2.343  39.413   2.629
  996   2HO4  MN6 106          2HO4      MN6 106  -1.484  38.496   3.567
  997   1HO5  MN6 106          1HO5      MN6 106  -4.559  38.093   5.310
  998   2HO5  MN6 106          2HO5      MN6 106  -4.975  38.879   4.019
  999   1HO6  MN6 106          1HO6      MN6 106  -0.908  40.975   6.018
 1000   2HO6  MN6 106          2HO6      MN6 106  -2.176  41.823   6.379
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.727  29.803  -8.104
 1002   2HO1  MN6 107          2HO1      MN6 107  -0.351  30.190  -7.460
 1003   1HO2  MN6 107          1HO2      MN6 107  -1.893  34.722  -6.888
 1004   2HO2  MN6 107          2HO2      MN6 107  -2.597  34.459  -8.264
 1005   1HO3  MN6 107          1HO3      MN6 107  -4.401  32.252  -7.665
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.924  30.762  -7.565
 1007   1HO4  MN6 107          1HO4      MN6 107   0.461  32.612  -7.862
 1008   2HO4  MN6 107          2HO4      MN6 107   0.337  32.395  -6.314
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.524  33.188  -9.680
 1010   2HO5  MN6 107          2HO5      MN6 107  -2.308  31.837  -9.818
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.696  32.134  -4.899
 1012   2HO6  MN6 107          2HO6      MN6 107  -3.101  32.726  -5.264
 1013   1HO1  MN6 108          1HO1      MN6 108  10.915  14.430   1.575
 1014   2HO1  MN6 108          2HO1      MN6 108  10.274  14.189   2.985
 1015   1HO2  MN6 108          1HO2      MN6 108   6.736  17.301   1.958
 1016   2HO2  MN6 108          2HO2      MN6 108   7.274  17.450   0.493
 1017   1HO3  MN6 108          1HO3      MN6 108   8.412  15.531   4.210
 1018   2HO3  MN6 108          2HO3      MN6 108   7.899  14.265   3.441
 1019   1HO4  MN6 108          1HO4      MN6 108   9.066  15.693  -0.685
 1020   2HO4  MN6 108          2HO4      MN6 108  10.478  15.934  -0.048
 1021   1HO5  MN6 108          1HO5      MN6 108   8.795  13.531   0.737
 1022   2HO5  MN6 108          2HO5      MN6 108   7.454  14.229   0.322
 1023   1HO6  MN6 108          1HO6      MN6 108   9.639  17.231   3.584
 1024   2HO6  MN6 108          2HO6      MN6 108  10.204  17.815   2.243
 1025   1HO1  MN6 109          1HO1      MN6 109  11.077   3.486   2.604
 1026   2HO1  MN6 109          2HO1      MN6 109  11.094   2.068   3.272
 1027   1HO2  MN6 109          1HO2      MN6 109   7.210   1.741   0.279
 1028   2HO2  MN6 109          2HO2      MN6 109   8.243   1.484  -0.873
 1029   1HO3  MN6 109          1HO3      MN6 109   9.517  -0.577   1.196
 1030   2HO3  MN6 109          2HO3      MN6 109  10.858  -0.101   1.855
 1031   1HO4  MN6 109          1HO4      MN6 109  10.174   4.252   0.709
 1032   2HO4  MN6 109          2HO4      MN6 109   8.610   4.154   0.664
 1033   1HO5  MN6 109          1HO5      MN6 109  10.958   2.093  -0.900
 1034   2HO5  MN6 109          2HO5      MN6 109  10.707   0.576  -0.592
 1035   1HO6  MN6 109          1HO6      MN6 109   7.412   2.199   2.399
 1036   2HO6  MN6 109          2HO6      MN6 109   8.416   1.428   3.323
 1037   1HO1  MN6 110          1HO1      MN6 110  11.145 -12.724   5.187
 1038   2HO1  MN6 110          2HO1      MN6 110  11.710 -11.283   5.431
 1039   1HO2  MN6 110          1HO2      MN6 110   8.556 -12.324   9.150
 1040   2HO2  MN6 110          2HO2      MN6 110   9.847 -12.073  10.000
 1041   1HO3  MN6 110          1HO3      MN6 110   8.246 -11.041   6.909
 1042   2HO3  MN6 110          2HO3      MN6 110   9.178 -11.026   5.649
 1043   1HO4  MN6 110          1HO4      MN6 110  12.813 -12.480   8.153
 1044   2HO4  MN6 110          2HO4      MN6 110  11.939 -12.620   9.447
 1045   1HO5  MN6 110          1HO5      MN6 110  10.647  -9.671   6.524
 1046   2HO5  MN6 110          2HO5      MN6 110  11.617  -9.710   7.755
 1047   1HO6  MN6 110          1HO6      MN6 110   9.328 -14.086   8.074
 1048   2HO6  MN6 110          2HO6      MN6 110  10.802 -14.414   7.654
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   6.910 -42.232   3.246
    2   2H5*    G   1          2H5*        G   1   6.884 -40.786   2.214
    3    H4*    G   1           H4*        G   1   6.813 -42.776   0.827
    4    H3*    G   1           H3*        G   1   4.403 -41.011   0.895
    5    H2*    G   1           H2*        G   1   3.006 -42.530  -0.200
    6   2HO*    G   1          2HO*        G   1   5.055 -44.301  -0.927
    7    H1*    G   1           H1*        G   1   3.909 -44.887   0.834
    8    H8     G   1           H8         G   1   4.026 -42.881   3.889
    9    H1     G   1           H1         G   1  -2.030 -43.796   2.019
   10   1H2     G   1          1H2         G   1  -2.073 -44.566  -0.062
   11   2H2     G   1          2H2         G   1  -0.617 -44.851  -0.989
   12    H5T    G   1           H5T        G   1   5.435 -40.424   3.813
   13   1H5*    G   2          1H5*        G   2   4.044 -42.493  -2.481
   14   2H5*    G   2          2H5*        G   2   4.134 -41.396  -3.873
   15    H4*    G   2           H4*        G   2   2.115 -42.723  -4.037
   16    H3*    G   2           H3*        G   2   1.712 -39.807  -3.378
   17    H2*    G   2           H2*        G   2  -0.581 -40.110  -3.106
   18   2HO*    G   2          2HO*        G   2  -0.281 -41.651  -5.219
   19    H1*    G   2           H1*        G   2  -0.561 -42.790  -2.243
   20    H8     G   2           H8         G   2   1.774 -40.709  -0.139
   21    H1     G   2           H1         G   2  -4.364 -40.143   1.595
   22   1H2     G   2          1H2         G   2  -5.675 -41.068   0.057
   23   2H2     G   2          2H2         G   2  -5.039 -41.824  -1.387
   24   1H5*    G   3          1H5*        G   3  -1.081 -40.442  -6.499
   25   2H5*    G   3          2H5*        G   3  -0.892 -39.170  -7.724
   26    H4*    G   3           H4*        G   3  -3.204 -39.265  -6.944
   27    H3*    G   3           H3*        G   3  -1.610 -36.814  -6.201
   28    H2*    G   3           H2*        G   3  -3.371 -35.973  -4.921
   29   2HO*    G   3          2HO*        G   3  -5.430 -37.606  -5.536
   30    H1*    G   3           H1*        G   3  -4.472 -38.398  -4.060
   31    H8     G   3           H8         G   3  -0.679 -37.980  -3.618
   32    H1     G   3           H1         G   3  -4.188 -35.819   1.284
   33   1H2     G   3          1H2         G   3  -6.339 -35.868   0.748
   34   2H2     G   3          2H2         G   3  -6.909 -36.426  -0.808
   35   1H5*    A   4          1H5*        A   4  -5.463 -35.678  -7.385
   36   2H5*    A   4          2H5*        A   4  -5.401 -34.535  -8.742
   37    H4*    A   4           H4*        A   4  -6.980 -33.667  -7.176
   38    H3*    A   4           H3*        A   4  -4.337 -32.224  -7.161
   39    H2*    A   4           H2*        A   4  -4.941 -30.933  -5.318
   40   2HO*    A   4          2HO*        A   4  -7.344 -30.958  -4.746
   41    H1*    A   4           H1*        A   4  -6.645 -32.751  -4.036
   42    H8     A   4           H8         A   4  -3.099 -33.815  -5.170
   43   1H6     A   4          1H6         A   4  -1.401 -32.576   0.635
   44   2H6     A   4          2H6         A   4  -0.886 -33.215  -0.909
   45    H2     A   4           H2         A   4  -5.703 -31.359   0.166
   46   1H5*    U   5          1H5*        U   5  -7.261 -29.427  -6.450
   47   2H5*    U   5          2H5*        U   5  -6.994 -27.945  -7.391
   48    H4*    U   5           H4*        U   5  -7.100 -27.524  -4.947
   49    H3*    U   5           H3*        U   5  -4.581 -26.899  -6.470
   50    H2*    U   5           H2*        U   5  -3.395 -26.416  -4.533
   51   2HO*    U   5          2HO*        U   5  -4.776 -24.841  -3.739
   52    H1*    U   5           H1*        U   5  -4.805 -28.048  -2.715
   53    H3     U   5           H3         U   5  -0.707 -29.786  -2.134
   54    H5     U   5           H5         U   5  -1.535 -30.598  -6.186
   55    H6     U   5           H6         U   5  -3.588 -29.326  -5.953
   56   1H5*    A   6          1H5*        A   6  -7.703 -22.687  -6.861
   57   2H5*    A   6          2H5*        A   6  -6.521 -21.363  -6.799
   58    H4*    A   6           H4*        A   6  -7.611 -23.068  -4.606
   59    H3*    A   6           H3*        A   6  -7.593 -20.292  -5.176
   60    H2*    A   6           H2*        A   6  -5.519 -19.755  -4.284
   61   2HO*    A   6          2HO*        A   6  -7.156 -20.252  -2.026
   62    H1*    A   6           H1*        A   6  -5.502 -22.057  -2.364
   63    H8     A   6           H8         A   6  -3.459 -21.162  -5.554
   64   1H6     A   6          1H6         A   6   1.396 -20.959  -1.735
   65   2H6     A   6          2H6         A   6   0.873 -20.827  -3.398
   66    H2     A   6           H2         A   6  -2.272 -21.766   0.730
   67   1H5*    U   7          1H5*        U   7 -10.540 -20.245  -0.562
   68   2H5*    U   7          2H5*        U   7  -9.028 -19.848  -1.403
   69    H4*    U   7           H4*        U   7  -9.461 -20.153   1.389
   70    H3*    U   7           H3*        U   7  -7.538 -18.900  -0.164
   71    H2*    U   7           H2*        U   7  -6.191 -20.785  -0.599
   72   2HO*    U   7          2HO*        U   7  -5.254 -20.447   2.035
   73    H1*    U   7           H1*        U   7  -6.668 -21.908   2.151
   74    H3     U   7           H3         U   7  -7.483 -26.149  -0.199
   75    H5     U   7           H5         U   7  -3.773 -24.373  -1.122
   76    H6     U   7           H6         U   7  -4.559 -22.335  -0.062
   77   1H5*    G   8          1H5*        G   8  -4.187 -19.447   3.023
   78   2H5*    G   8          2H5*        G   8  -4.511 -17.857   3.743
   79    H4*    G   8           H4*        G   8  -2.148 -18.020   3.439
   80    H3*    G   8           H3*        G   8  -3.553 -16.209   1.506
   81    H2*    G   8           H2*        G   8  -1.673 -15.928   0.156
   82   2HO*    G   8          2HO*        G   8   0.429 -16.245   0.909
   83    H1*    G   8           H1*        G   8  -0.503 -18.414   0.415
   84    H8     G   8           H8         G   8  -4.184 -18.955  -0.099
   85    H1     G   8           H1         G   8  -1.120 -17.526  -5.531
   86   1H2     G   8          1H2         G   8   0.942 -16.850  -5.087
   87   2H2     G   8          2H2         G   8   1.566 -16.750  -3.458
   88   1H5*    G   9          1H5*        G   9  -3.201 -12.499   0.486
   89   2H5*    G   9          2H5*        G   9  -3.098 -14.268   0.390
   90    H4*    G   9           H4*        G   9  -0.484 -12.994   0.100
   91    H3*    G   9           H3*        G   9  -2.714 -12.016  -1.657
   92    H2*    G   9           H2*        G   9  -1.547 -12.471  -3.632
   93   2HO*    G   9          2HO*        G   9   0.587 -11.849  -2.080
   94    H1*    G   9           H1*        G   9  -0.240 -14.771  -2.893
   95    H8     G   9           H8         G   9  -3.439 -15.660  -1.483
   96    H1     G   9           H1         G   9  -3.939 -15.217  -7.849
   97   1H2     G   9          1H2         G   9  -2.176 -14.142  -8.675
   98   2H2     G   9          2H2         G   9  -0.880 -13.544  -7.665
   99   1H5*    A  10          1H5*        A  10   0.347  -9.220  -2.929
  100   2H5*    A  10          2H5*        A  10  -0.248  -7.587  -2.572
  101    H4*    A  10           H4*        A  10   0.419  -7.773  -4.920
  102    H3*    A  10           H3*        A  10  -2.515  -7.386  -4.338
  103    H2*    A  10           H2*        A  10  -3.067  -7.596  -6.595
  104   2HO*    A  10          2HO*        A  10  -1.901  -6.619  -8.038
  105    H1*    A  10           H1*        A  10  -1.047  -9.372  -7.371
  106    H8     A  10           H8         A  10  -2.777 -10.680  -4.286
  107   1H6     A  10          1H6         A  10  -7.134 -12.937  -8.045
  108   2H6     A  10          2H6         A  10  -6.522 -12.912  -6.405
  109    H2     A  10           H2         A  10  -4.455 -10.272 -10.475
  110   1H5*    A  11          1H5*        A  11  -0.930  -4.498  -7.350
  111   2H5*    A  11          2H5*        A  11  -1.737  -2.924  -7.202
  112    H4*    A  11           H4*        A  11  -1.721  -3.891  -9.527
  113    H3*    A  11           H3*        A  11  -4.335  -3.235  -8.154
  114    H2*    A  11           H2*        A  11  -5.525  -4.000 -10.033
  115   2HO*    A  11          2HO*        A  11  -4.549  -3.028 -11.721
  116    H1*    A  11           H1*        A  11  -3.873  -6.124 -10.695
  117    H8     A  11           H8         A  11  -4.488  -5.966  -6.941
  118   1H6     A  11          1H6         A  11  -9.643  -9.203  -8.030
  119   2H6     A  11          2H6         A  11  -8.583  -8.564  -6.793
  120    H2     A  11           H2         A  11  -7.920  -7.963 -11.989
  121   1H5*    G  12          1H5*        G  12  -4.671  -0.474 -11.660
  122   2H5*    G  12          2H5*        G  12  -5.418   0.998 -11.008
  123    H4*    G  12           H4*        G  12  -6.747  -0.118 -12.816
  124    H3*    G  12           H3*        G  12  -7.953   0.230 -10.062
  125    H2*    G  12           H2*        G  12  -9.925  -0.825 -10.788
  126   2HO*    G  12          2HO*        G  12  -9.701  -1.222 -13.370
  127    H1*    G  12           H1*        G  12  -8.753  -2.677 -12.498
  128    H8     G  12           H8         G  12  -6.899  -2.524  -9.191
  129    H1     G  12           H1         G  12 -12.225  -6.064  -8.979
  130   1H2     G  12          1H2         G  12 -13.397  -5.782 -10.846
  131   2H2     G  12          2H2         G  12 -12.867  -4.724 -12.133
  132   1H5*    A  13          1H5*        A  13 -10.697   1.042 -12.302
  133   2H5*    A  13          2H5*        A  13 -11.207   2.729 -12.509
  134    H4*    A  13           H4*        A  13 -13.266   1.758 -12.301
  135    H3*    A  13           H3*        A  13 -12.363   2.319  -9.475
  136    H2*    A  13           H2*        A  13 -14.201   1.161  -8.605
  137   2HO*    A  13          2HO*        A  13 -15.446   1.217 -11.164
  138    H1*    A  13           H1*        A  13 -14.433  -0.796 -10.570
  139    H8     A  13           H8         A  13 -10.962  -0.008  -9.041
  140   1H6     A  13          1H6         A  13 -12.119  -4.756  -5.260
  141   2H6     A  13          2H6         A  13 -10.930  -3.575  -5.761
  142    H2     A  13           H2         A  13 -15.798  -4.029  -7.735
  143   1H5*    A  14          1H5*        A  14 -16.759   3.599 -10.249
  144   2H5*    A  14          2H5*        A  14 -16.978   5.062  -9.268
  145    H4*    A  14           H4*        A  14 -18.771   3.345  -8.951
  146    H3*    A  14           H3*        A  14 -17.084   4.241  -6.614
  147    H2*    A  14           H2*        A  14 -18.157   2.719  -5.185
  148   2HO*    A  14          2HO*        A  14 -20.168   1.910  -5.554
  149    H1*    A  14           H1*        A  14 -18.456   0.627  -6.958
  150    H8     A  14           H8         A  14 -15.070   2.457  -7.072
  151   1H6     A  14          1H6         A  14 -13.169  -1.712  -2.939
  152   2H6     A  14          2H6         A  14 -12.687  -0.390  -3.975
  153    H2     A  14           H2         A  14 -17.587  -2.298  -3.560
  154   1H5*    C  15          1H5*        C  15 -21.122   4.718  -4.962
  155   2H5*    C  15          2H5*        C  15 -21.086   6.247  -4.060
  156    H4*    C  15           H4*        C  15 -21.726   4.332  -2.633
  157    H3*    C  15           H3*        C  15 -19.116   5.732  -2.010
  158    H2*    C  15           H2*        C  15 -18.716   4.229  -0.269
  159   2HO*    C  15          2HO*        C  15 -21.269   3.123  -0.168
  160    H1*    C  15           H1*        C  15 -20.092   2.010  -1.358
  161   1H4     C  15          1H4         C  15 -13.963   0.372  -1.699
  162   2H4     C  15          2H4         C  15 -13.666   1.591  -2.918
  163    H5     C  15           H5         C  15 -15.348   3.143  -3.671
  164    H6     C  15           H6         C  15 -17.670   3.879  -3.401
  165   1H5*    C  16          1H5*        C  16 -21.036   5.185   1.353
  166   2H5*    C  16          2H5*        C  16 -21.153   6.532   2.503
  167    H4*    C  16           H4*        C  16 -20.166   4.683   3.662
  168    H3*    C  16           H3*        C  16 -18.176   6.831   2.917
  169    H2*    C  16           H2*        C  16 -16.420   5.553   3.751
  170   2HO*    C  16          2HO*        C  16 -18.324   4.077   5.277
  171    H1*    C  16           H1*        C  16 -17.553   2.993   3.327
  172   1H4     C  16          1H4         C  16 -12.764   3.280  -0.825
  173   2H4     C  16          2H4         C  16 -13.508   4.620  -1.670
  174    H5     C  16           H5         C  16 -15.581   5.634  -0.970
  175    H6     C  16           H6         C  16 -17.359   5.613   0.719
  176   1H5*    G  17          1H5*        G  17 -18.733   5.852   7.649
  177   2H5*    G  17          2H5*        G  17 -18.276   7.388   8.413
  178    H4*    G  17           H4*        G  17 -17.345   5.421   9.598
  179    H3*    G  17           H3*        G  17 -15.453   7.406   8.344
  180    H2*    G  17           H2*        G  17 -13.595   6.117   8.972
  181   2HO*    G  17          2HO*        G  17 -14.008   4.254  10.472
  182    H1*    G  17           H1*        G  17 -14.677   3.612   8.564
  183    H8     G  17           H8         G  17 -15.676   5.929   5.745
  184    H1     G  17           H1         G  17  -9.794   3.504   5.066
  185   1H2     G  17          1H2         G  17  -9.174   2.478   6.939
  186   2H2     G  17          2H2         G  17 -10.206   2.394   8.350
  187   1H5*    G  18          1H5*        G  18 -13.341   6.298  11.301
  188   2H5*    G  18          2H5*        G  18 -13.299   7.564  12.544
  189    H4*    G  18           H4*        G  18 -11.058   6.947  12.363
  190    H3*    G  18           H3*        G  18 -11.555   9.327  10.569
  191    H2*    G  18           H2*        G  18  -9.389   9.194   9.721
  192   2HO*    G  18          2HO*        G  18  -8.004   7.571  11.230
  193    H1*    G  18           H1*        G  18  -8.992   6.410  10.069
  194    H8     G  18           H8         G  18 -12.073   7.382   8.040
  195    H1     G  18           H1         G  18  -6.698   7.030   4.586
  196   1H2     G  18          1H2         G  18  -4.947   6.782   5.925
  197   2H2     G  18          2H2         G  18  -5.101   6.704   7.666
  198   1H5*    G  19          1H5*        G  19  -7.774   9.602  11.826
  199   2H5*    G  19          2H5*        G  19  -7.636  10.969  12.951
  200    H4*    G  19           H4*        G  19  -5.765  11.229  11.581
  201    H3*    G  19           H3*        G  19  -8.019  12.942  10.541
  202    H2*    G  19           H2*        G  19  -6.835  13.479   8.620
  203   2HO*    G  19          2HO*        G  19  -4.439  13.201   8.653
  204    H1*    G  19           H1*        G  19  -5.159  11.187   8.497
  205    H8     G  19           H8         G  19  -9.026  10.988   8.492
  206    H1     G  19           H1         G  19  -6.293  10.929   2.703
  207   1H2     G  19          1H2         G  19  -4.101  11.219   2.893
  208   2H2     G  19          2H2         G  19  -3.313  11.428   4.441
  209   1H5*    G  20          1H5*        G  20  -7.317  17.458  10.497
  210   2H5*    G  20          2H5*        G  20  -8.552  16.918   9.341
  211    H4*    G  20           H4*        G  20  -5.600  17.269   8.975
  212    H3*    G  20           H3*        G  20  -8.095  18.046   7.511
  213    H2*    G  20           H2*        G  20  -7.208  17.591   5.388
  214   2HO*    G  20          2HO*        G  20  -4.594  17.151   6.327
  215    H1*    G  20           H1*        G  20  -5.827  15.322   5.924
  216    H8     G  20           H8         G  20  -8.719  14.816   8.155
  217    H1     G  20           H1         G  20 -10.471  14.393   2.014
  218   1H2     G  20          1H2         G  20  -8.846  15.132   0.706
  219   2H2     G  20          2H2         G  20  -7.333  15.737   1.339
  220   1H5*    A  21          1H5*        A  21  -8.927  22.626   7.596
  221   2H5*    A  21          2H5*        A  21  -9.759  21.225   6.892
  222    H4*    A  21           H4*        A  21  -9.885  23.354   5.537
  223    H3*    A  21           H3*        A  21  -8.951  20.734   4.450
  224    H2*    A  21           H2*        A  21  -8.075  21.629   2.474
  225   2HO*    A  21          2HO*        A  21  -9.882  23.732   2.999
  226    H1*    A  21           H1*        A  21  -7.071  23.995   3.383
  227    H8     A  21           H8         A  21  -6.553  21.191   5.923
  228   1H6     A  21          1H6         A  21  -1.233  20.040   3.026
  229   2H6     A  21          2H6         A  21  -2.225  19.673   4.419
  230    H2     A  21           H2         A  21  -3.504  23.058   0.587
  231   1H5*    A  22          1H5*        A  22 -11.092  19.266   0.708
  232   2H5*    A  22          2H5*        A  22 -10.015  18.060   1.440
  233    H4*    A  22           H4*        A  22  -9.493  20.015  -0.680
  234    H3*    A  22           H3*        A  22  -8.333  17.399   0.228
  235    H2*    A  22           H2*        A  22  -6.179  17.929  -0.487
  236   2HO*    A  22          2HO*        A  22  -7.527  19.682  -2.241
  237    H1*    A  22           H1*        A  22  -6.150  20.642   0.002
  238    H8     A  22           H8         A  22  -7.589  19.613   3.161
  239   1H6     A  22          1H6         A  22  -2.152  17.220   4.840
  240   2H6     A  22          2H6         A  22  -3.732  17.728   5.394
  241    H2     A  22           H2         A  22  -2.028  17.964   0.408
  242   1H5*    A  23          1H5*        A  23  -6.902  16.978  -4.876
  243   2H5*    A  23          2H5*        A  23  -7.278  15.295  -4.458
  244    H4*    A  23           H4*        A  23  -4.837  16.088  -5.239
  245    H3*    A  23           H3*        A  23  -5.686  13.884  -3.395
  246    H2*    A  23           H2*        A  23  -3.536  13.558  -2.522
  247   2HO*    A  23          2HO*        A  23  -1.927  15.106  -3.957
  248    H1*    A  23           H1*        A  23  -2.654  16.134  -2.426
  249    H8     A  23           H8         A  23  -6.365  15.562  -1.530
  250   1H6     A  23          1H6         A  23  -4.440  15.248   4.325
  251   2H6     A  23          2H6         A  23  -5.836  15.291   3.269
  252    H2     A  23           H2         A  23  -0.798  15.514   1.680
  253   1H5*    C  24          1H5*        C  24  -2.962  12.079  -5.554
  254   2H5*    C  24          2H5*        C  24  -3.090  10.341  -5.894
  255    H4*    C  24           H4*        C  24  -1.446  10.943  -4.085
  256    H3*    C  24           H3*        C  24  -3.752   9.073  -3.530
  257    H2*    C  24           H2*        C  24  -3.118   8.895  -1.279
  258   2HO*    C  24          2HO*        C  24  -0.704  10.259  -1.478
  259    H1*    C  24           H1*        C  24  -2.248  11.500  -0.897
  260   1H4     C  24          1H4         C  24  -8.130  11.272   1.547
  261   2H4     C  24          2H4         C  24  -8.823  11.355  -0.059
  262    H5     C  24           H5         C  24  -7.497  11.354  -2.071
  263    H6     C  24           H6         C  24  -5.224  11.245  -2.980
  264   1H5*    U  25          1H5*        U  25  -0.816   7.797  -1.388
  265   2H5*    U  25          2H5*        U  25  -0.337   6.120  -1.711
  266    H4*    U  25           H4*        U  25  -0.649   6.374   0.663
  267    H3*    U  25           H3*        U  25  -2.853   4.821  -0.703
  268    H2*    U  25           H2*        U  25  -3.993   4.614   1.327
  269   2HO*    U  25          2HO*        U  25  -2.509   5.374   3.281
  270    H1*    U  25           H1*        U  25  -3.160   7.037   2.492
  271    H3     U  25           H3         U  25  -7.640   7.544   2.471
  272    H5     U  25           H5         U  25  -6.608   7.629  -1.616
  273    H6     U  25           H6         U  25  -4.329   7.089  -0.984
  274   1H5*    U  26          1H5*        U  26  -1.898   3.322   2.739
  275   2H5*    U  26          2H5*        U  26  -1.219   1.683   2.772
  276    H4*    U  26           H4*        U  26  -2.699   1.630   4.561
  277    H3*    U  26           H3*        U  26  -4.182   0.635   2.120
  278    H2*    U  26           H2*        U  26  -6.145   0.455   3.380
  279   2HO*    U  26          2HO*        U  26  -6.169  -0.042   5.467
  280    H1*    U  26           H1*        U  26  -5.709   2.623   5.094
  281    H3     U  26           H3         U  26  -9.387   4.164   3.022
  282    H5     U  26           H5         U  26  -6.628   3.726  -0.130
  283    H6     U  26           H6         U  26  -5.070   2.756   1.456
  284   1H5*    G  27          1H5*        G  27  -5.053  -1.482   5.394
  285   2H5*    G  27          2H5*        G  27  -5.433  -3.203   5.196
  286    H4*    G  27           H4*        G  27  -7.317  -1.953   6.177
  287    H3*    G  27           H3*        G  27  -7.747  -3.084   3.399
  288    H2*    G  27           H2*        G  27  -9.902  -2.194   3.400
  289   2HO*    G  27          2HO*        G  27  -9.697  -2.258   6.237
  290    H1*    G  27           H1*        G  27  -9.376  -0.017   5.154
  291    H8     G  27           H8         G  27  -7.405  -0.436   1.853
  292    H1     G  27           H1         G  27 -12.674   3.181   1.456
  293   1H2     G  27          1H2         G  27 -13.790   3.098   3.377
  294   2H2     G  27          2H2         G  27 -13.232   2.159   4.744
  295   1H5*    G  28          1H5*        G  28 -10.640  -5.215   6.528
  296   2H5*    G  28          2H5*        G  28 -10.898  -6.825   5.828
  297    H4*    G  28           H4*        G  28 -13.018  -5.741   6.494
  298    H3*    G  28           H3*        G  28 -12.567  -6.316   3.562
  299    H2*    G  28           H2*        G  28 -14.647  -5.351   3.028
  300   2HO*    G  28          2HO*        G  28 -15.992  -6.292   4.501
  301    H1*    G  28           H1*        G  28 -14.578  -3.259   4.817
  302    H8     G  28           H8         G  28 -11.209  -3.925   3.129
  303    H1     G  28           H1         G  28 -15.129  -0.196  -0.291
  304   1H2     G  28          1H2         G  28 -17.125  -0.101   0.685
  305   2H2     G  28          2H2         G  28 -17.500  -0.980   2.150
  306   1H5*    U  29          1H5*        U  29 -16.509  -7.976   3.915
  307   2H5*    U  29          2H5*        U  29 -16.369  -9.629   3.283
  308    H4*    U  29           H4*        U  29 -18.126  -8.447   2.093
  309    H3*    U  29           H3*        U  29 -15.623  -8.984   0.484
  310    H2*    U  29           H2*        U  29 -16.516  -7.839  -1.337
  311   2HO*    U  29          2HO*        U  29 -19.088  -7.475  -0.817
  312    H1*    U  29           H1*        U  29 -18.194  -6.061   0.103
  313    H3     U  29           H3         U  29 -15.693  -3.249  -2.409
  314    H5     U  29           H5         U  29 -12.942  -4.878   0.339
  315    H6     U  29           H6         U  29 -14.695  -6.368   1.108
  316   1H5*    U  30          1H5*        U  30 -19.511 -10.245  -1.634
  317   2H5*    U  30          2H5*        U  30 -19.086 -11.696  -2.564
  318    H4*    U  30           H4*        U  30 -20.291  -9.951  -3.893
  319    H3*    U  30           H3*        U  30 -17.498 -10.773  -4.719
  320    H2*    U  30           H2*        U  30 -17.607  -9.277  -6.531
  321   2HO*    U  30          2HO*        U  30 -20.310  -8.636  -6.181
  322    H1*    U  30           H1*        U  30 -19.008  -7.253  -5.251
  323    H3     U  30           H3         U  30 -14.982  -5.347  -6.002
  324    H5     U  30           H5         U  30 -14.219  -8.154  -2.952
  325    H6     U  30           H6         U  30 -16.495  -8.957  -3.214
  326   1H5*    C  31          1H5*        C  31 -19.711 -10.902  -8.301
  327   2H5*    C  31          2H5*        C  31 -19.096 -12.215  -9.324
  328    H4*    C  31           H4*        C  31 -18.886  -9.908 -10.315
  329    H3*    C  31           H3*        C  31 -16.405 -11.592  -9.889
  330    H2*    C  31           H2*        C  31 -15.099  -9.859 -10.745
  331   2HO*    C  31          2HO*        C  31 -15.828  -9.253 -12.635
  332    H1*    C  31           H1*        C  31 -16.793  -7.715  -9.971
  333   1H4     C  31          1H4         C  31 -11.597  -7.065  -6.374
  334   2H4     C  31          2H4         C  31 -12.045  -8.461  -5.419
  335    H5     C  31           H5         C  31 -13.962  -9.837  -5.912
  336    H6     C  31           H6         C  31 -15.847 -10.185  -7.441
  337   1H5*    U  32          1H5*        U  32 -16.196 -10.788 -14.274
  338   2H5*    U  32          2H5*        U  32 -15.796 -12.365 -14.987
  339    H4*    U  32           H4*        U  32 -14.181 -10.682 -15.701
  340    H3*    U  32           H3*        U  32 -13.165 -12.825 -13.834
  341    H2*    U  32           H2*        U  32 -11.059 -11.819 -13.733
  342   2HO*    U  32          2HO*        U  32 -11.795 -10.517 -16.155
  343    H1*    U  32           H1*        U  32 -11.853  -9.152 -13.974
  344    H3     U  32           H3         U  32  -9.999  -9.104  -9.875
  345    H5     U  32           H5         U  32 -13.407 -11.526  -9.378
  346    H6     U  32           H6         U  32 -13.781 -11.372 -11.772
  347   1H5*    U  33          1H5*        U  33 -10.661 -12.066 -17.388
  348   2H5*    U  33          2H5*        U  33  -9.899 -13.553 -17.987
  349    H4*    U  33           H4*        U  33  -8.321 -11.619 -17.646
  350    H3*    U  33           H3*        U  33  -7.905 -14.260 -16.258
  351    H2*    U  33           H2*        U  33  -6.164 -13.425 -14.973
  352   2HO*    U  33          2HO*        U  33  -4.631 -12.370 -15.933
  353    H1*    U  33           H1*        U  33  -6.891 -10.681 -14.978
  354    H3     U  33           H3         U  33  -6.469 -11.486 -10.555
  355    H5     U  33           H5         U  33  -9.826 -13.770 -11.681
  356    H6     U  33           H6         U  33  -9.368 -13.186 -13.991
  357   1H5*    C  34          1H5*        C  34  -3.319 -15.853 -16.867
  358   2H5*    C  34          2H5*        C  34  -4.593 -15.622 -15.651
  359    H4*    C  34           H4*        C  34  -2.354 -13.620 -15.977
  360    H3*    C  34           H3*        C  34  -2.224 -16.282 -14.590
  361    H2*    C  34           H2*        C  34  -1.452 -15.366 -12.606
  362   2HO*    C  34          2HO*        C  34  -0.677 -12.883 -13.551
  363    H1*    C  34           H1*        C  34  -2.516 -12.760 -12.844
  364   1H4     C  34          1H4         C  34  -5.598 -15.812  -8.120
  365   2H4     C  34          2H4         C  34  -6.879 -16.155  -9.260
  366    H5     C  34           H5         C  34  -6.719 -15.673 -11.614
  367    H6     C  34           H6         C  34  -5.292 -14.769 -13.388
  368   1H5*    C  35          1H5*        C  35   2.100 -17.787 -13.550
  369   2H5*    C  35          2H5*        C  35   0.632 -17.947 -12.567
  370    H4*    C  35           H4*        C  35   3.004 -16.127 -12.042
  371    H3*    C  35           H3*        C  35   2.102 -18.724 -10.874
  372    H2*    C  35           H2*        C  35   2.183 -18.002  -8.665
  373   2HO*    C  35          2HO*        C  35   3.711 -15.713  -9.318
  374    H1*    C  35           H1*        C  35   1.543 -15.332  -8.957
  375   1H4     C  35          1H4         C  35  -3.764 -18.358  -7.038
  376   2H4     C  35          2H4         C  35  -4.277 -18.417  -8.709
  377    H5     C  35           H5         C  35  -2.882 -17.739 -10.543
  378    H6     C  35           H6         C  35  -0.687 -16.859 -11.184
  379   1H5*    U  36          1H5*        U  36   6.671 -19.900  -9.998
  380   2H5*    U  36          2H5*        U  36   6.250 -21.621  -9.898
  381    H4*    U  36           H4*        U  36   6.728 -19.945  -7.753
  382    H3*    U  36           H3*        U  36   5.393 -22.620  -8.031
  383    H2*    U  36           H2*        U  36   4.285 -22.441  -6.011
  384   2HO*    U  36          2HO*        U  36   6.485 -22.053  -5.029
  385    H1*    U  36           H1*        U  36   4.320 -19.603  -5.715
  386    H3     U  36           H3         U  36   0.078 -21.246  -4.924
  387    H5     U  36           H5         U  36   0.397 -20.703  -9.092
  388    H6     U  36           H6         U  36   2.775 -20.325  -8.792
  389   1H5*    A  37          1H5*        A  37   6.917 -25.974  -5.254
  390   2H5*    A  37          2H5*        A  37   5.242 -25.955  -5.840
  391    H4*    A  37           H4*        A  37   6.201 -24.968  -3.132
  392    H3*    A  37           H3*        A  37   5.747 -27.607  -3.777
  393    H2*    A  37           H2*        A  37   3.480 -27.498  -4.355
  394   2HO*    A  37          2HO*        A  37   3.665 -27.672  -1.551
  395    H1*    A  37           H1*        A  37   2.796 -25.381  -2.361
  396    H8     A  37           H8         A  37   3.002 -25.704  -6.249
  397   1H6     A  37          1H6         A  37  -2.952 -24.065  -6.144
  398   2H6     A  37          2H6         A  37  -1.594 -24.485  -7.163
  399    H2     A  37           H2         A  37  -1.500 -24.269  -1.896
  400   1H5*    A  38          1H5*        A  38   6.740 -29.202   1.253
  401   2H5*    A  38          2H5*        A  38   5.175 -28.448   0.882
  402    H4*    A  38           H4*        A  38   7.133 -27.795   3.074
  403    H3*    A  38           H3*        A  38   4.344 -28.764   2.924
  404    H2*    A  38           H2*        A  38   3.350 -27.113   4.208
  405   2HO*    A  38          2HO*        A  38   5.362 -25.848   5.429
  406    H1*    A  38           H1*        A  38   4.944 -24.937   3.738
  407    H8     A  38           H8         A  38   4.655 -26.105   0.299
  408   1H6     A  38          1H6         A  38  -1.192 -24.120   0.181
  409   2H6     A  38          2H6         A  38   0.158 -24.675  -0.783
  410    H2     A  38           H2         A  38   0.165 -24.166   4.466
  411   1H5*    G  39          1H5*        G  39   2.984 -30.042   7.814
  412   2H5*    G  39          2H5*        G  39   2.249 -30.535   6.276
  413    H4*    G  39           H4*        G  39   1.683 -28.169   8.005
  414    H3*    G  39           H3*        G  39   0.102 -30.222   6.516
  415    H2*    G  39           H2*        G  39  -1.490 -28.722   5.720
  416   2HO*    G  39          2HO*        G  39  -0.715 -27.172   7.955
  417    H1*    G  39           H1*        G  39   0.038 -26.467   5.372
  418    H8     G  39           H8         G  39   2.226 -29.119   4.001
  419    H1     G  39           H1         G  39  -2.707 -27.879   0.115
  420   1H2     G  39          1H2         G  39  -4.233 -26.668   1.184
  421   2H2     G  39          2H2         G  39  -4.033 -26.161   2.845
  422   1H5*    U  40          1H5*        U  40  -3.371 -28.761   9.065
  423   2H5*    U  40          2H5*        U  40  -3.913 -30.329   9.699
  424    H4*    U  40           H4*        U  40  -5.681 -29.045   8.464
  425    H3*    U  40           H3*        U  40  -4.860 -31.816   7.634
  426    H2*    U  40           H2*        U  40  -6.169 -31.753   5.695
  427   2HO*    U  40          2HO*        U  40  -7.512 -29.385   6.162
  428    H1*    U  40           H1*        U  40  -5.839 -29.114   5.000
  429    H3     U  40           H3         U  40  -3.638 -31.470   1.789
  430    H5     U  40           H5         U  40  -1.018 -31.465   5.091
  431    H6     U  40           H6         U  40  -2.785 -30.450   6.409
  432   1H5*    C  41          1H5*        C  41  -9.237 -32.052   7.585
  433   2H5*    C  41          2H5*        C  41  -9.679 -33.603   8.325
  434    H4*    C  41           H4*        C  41 -10.576 -33.329   6.022
  435    H3*    C  41           H3*        C  41  -8.626 -35.564   6.590
  436    H2*    C  41           H2*        C  41  -8.651 -36.215   4.342
  437   2HO*    C  41          2HO*        C  41 -10.337 -35.408   2.907
  438    H1*    C  41           H1*        C  41  -8.941 -33.696   3.190
  439   1H4     C  41          1H4         C  41  -2.789 -35.129   2.438
  440   2H4     C  41          2H4         C  41  -2.478 -34.794   4.127
  441    H5     C  41           H5         C  41  -4.211 -34.232   5.703
  442    H6     C  41           H6         C  41  -6.618 -33.877   6.004
  443   1H5*    C  42          1H5*        C  42 -11.654 -37.239   4.372
  444   2H5*    C  42          2H5*        C  42 -12.408 -38.624   5.188
  445    H4*    C  42           H4*        C  42 -11.903 -39.325   2.965
  446    H3*    C  42           H3*        C  42  -9.961 -40.407   5.010
  447    H2*    C  42           H2*        C  42  -8.700 -41.442   3.320
  448   2HO*    C  42          2HO*        C  42  -9.517 -41.872   1.276
  449    H1*    C  42           H1*        C  42  -8.956 -39.494   1.376
  450   1H4     C  42          1H4         C  42  -3.283 -38.298   3.991
  451   2H4     C  42          2H4         C  42  -4.045 -37.684   5.442
  452    H5     C  42           H5         C  42  -6.425 -37.708   5.795
  453    H6     C  42           H6         C  42  -8.593 -38.341   4.844
  454   1H5*    U  43          1H5*        U  43 -10.613 -43.113   2.012
  455   2H5*    U  43          2H5*        U  43 -10.840 -44.766   2.615
  456    H4*    U  43           H4*        U  43  -9.008 -44.510   0.911
  457    H3*    U  43           H3*        U  43  -8.442 -45.604   3.658
  458    H2*    U  43           H2*        U  43  -6.175 -45.548   3.321
  459   2HO*    U  43          2HO*        U  43  -6.410 -45.720   0.511
  460    H1*    U  43           H1*        U  43  -6.189 -43.742   1.047
  461    H3     U  43           H3         U  43  -2.639 -42.125   3.295
  462    H5     U  43           H5         U  43  -5.866 -41.492   5.936
  463    H6     U  43           H6         U  43  -7.280 -42.718   4.391
  464    H3T    U  43           H3T        U  43  -9.493 -47.000   2.340
  465   1H5*    G  44          1H5*        G  44  -8.476  45.223   2.273
  466   2H5*    G  44          2H5*        G  44  -8.654  43.570   1.648
  467    H4*    G  44           H4*        G  44  -8.143  45.066  -0.187
  468    H3*    G  44           H3*        G  44  -6.072  43.054   0.592
  469    H2*    G  44           H2*        G  44  -4.383  43.994  -0.722
  470   2HO*    G  44          2HO*        G  44  -6.525  45.202  -2.142
  471    H1*    G  44           H1*        G  44  -4.931  46.648  -0.419
  472    H8     G  44           H8         G  44  -5.579  45.154   2.956
  473    H1     G  44           H1         G  44   0.676  45.727   1.705
  474   1H2     G  44          1H2         G  44   0.977  46.235  -0.435
  475   2H2     G  44          2H2         G  44  -0.355  46.429  -1.552
  476    H5T    G  44           H5T        G  44  -7.134  44.324   3.598
  477   1H5*    G  45          1H5*        G  45  -5.203  43.561  -3.034
  478   2H5*    G  45          2H5*        G  45  -5.372  42.128  -4.068
  479    H4*    G  45           H4*        G  45  -3.159  43.068  -4.363
  480    H3*    G  45           H3*        G  45  -3.264  40.445  -2.872
  481    H2*    G  45           H2*        G  45  -0.982  40.527  -2.445
  482   2HO*    G  45          2HO*        G  45  -0.476  42.477  -4.417
  483    H1*    G  45           H1*        G  45  -0.648  43.347  -2.520
  484    H8     G  45           H8         G  45  -3.219  42.288   0.034
  485    H1     G  45           H1         G  45   2.810  41.737   2.123
  486   1H2     G  45          1H2         G  45   4.222  42.008   0.443
  487   2H2     G  45          2H2         G  45   3.688  42.323  -1.192
  488   1H5*    G  46          1H5*        G  46  -0.225  40.222  -5.823
  489   2H5*    G  46          2H5*        G  46  -0.359  38.742  -6.796
  490    H4*    G  46           H4*        G  46   1.926  39.022  -5.978
  491    H3*    G  46           H3*        G  46   0.340  36.724  -4.831
  492    H2*    G  46           H2*        G  46   2.074  36.171  -3.375
  493   2HO*    G  46          2HO*        G  46   4.238  37.347  -3.927
  494    H1*    G  46           H1*        G  46   3.152  38.745  -3.011
  495    H8     G  46           H8         G  46  -0.624  38.357  -2.443
  496    H1     G  46           H1         G  46   2.980  37.206   2.721
  497   1H2     G  46          1H2         G  46   5.133  37.193   2.151
  498   2H2     G  46          2H2         G  46   5.670  37.464   0.509
  499   1H5*    A  47          1H5*        A  47   4.318  35.473  -5.969
  500   2H5*    A  47          2H5*        A  47   4.255  33.948  -6.877
  501    H4*    A  47           H4*        A  47   5.928  33.866  -5.071
  502    H3*    A  47           H3*        A  47   3.544  32.030  -4.910
  503    H2*    A  47           H2*        A  47   4.171  31.256  -2.803
  504   2HO*    A  47          2HO*        A  47   6.189  30.636  -2.785
  505    H1*    A  47           H1*        A  47   5.386  33.573  -1.825
  506    H8     A  47           H8         A  47   1.914  33.978  -3.426
  507   1H6     A  47          1H6         A  47  -0.323  33.148   2.271
  508   2H6     A  47          2H6         A  47  -0.717  33.553   0.615
  509    H2     A  47           H2         A  47   4.110  32.416   2.405
  510   1H5*    U  48          1H5*        U  48   6.995  29.404  -4.085
  511   2H5*    U  48          2H5*        U  48   6.542  27.782  -4.646
  512    H4*    U  48           H4*        U  48   6.989  28.120  -2.125
  513    H3*    U  48           H3*        U  48   4.630  26.688  -3.313
  514    H2*    U  48           H2*        U  48   3.518  26.538  -1.283
  515   2HO*    U  48          2HO*        U  48   4.864  26.899   0.732
  516    H1*    U  48           H1*        U  48   4.559  28.812  -0.001
  517    H3     U  48           H3         U  48   0.135  29.693   0.090
  518    H5     U  48           H5         U  48   1.142  30.002  -3.992
  519    H6     U  48           H6         U  48   3.364  29.201  -3.436
  520   1H5*    A  49          1H5*        A  49   8.572  23.998   0.369
  521   2H5*    A  49          2H5*        A  49   7.353  22.830  -0.179
  522    H4*    A  49           H4*        A  49   7.635  24.152   2.520
  523    H3*    A  49           H3*        A  49   8.287  21.563   1.594
  524    H2*    A  49           H2*        A  49   6.155  20.638   1.588
  525   2HO*    A  49          2HO*        A  49   6.059  19.488   3.347
  526    H1*    A  49           H1*        A  49   5.130  22.465   3.735
  527    H8     A  49           H8         A  49   4.394  21.996  -0.063
  528   1H6     A  49          1H6         A  49  -1.310  20.497   1.784
  529   2H6     A  49          2H6         A  49  -0.265  20.742   0.404
  530    H2     A  49           H2         A  49   1.176  21.246   5.447
  531   1H5*    U  50          1H5*        U  50   8.550  20.909   7.409
  532   2H5*    U  50          2H5*        U  50   8.485  19.271   6.728
  533    H4*    U  50           H4*        U  50   6.945  19.309   8.545
  534    H3*    U  50           H3*        U  50   6.006  18.659   6.035
  535    H2*    U  50           H2*        U  50   4.973  20.705   5.506
  536   2HO*    U  50          2HO*        U  50   2.723  20.590   6.500
  537    H1*    U  50           H1*        U  50   4.054  21.150   8.331
  538    H3     U  50           H3         U  50   5.792  25.693   7.820
  539    H5     U  50           H5         U  50   3.219  24.529   4.690
  540    H6     U  50           H6         U  50   3.401  22.241   5.480
  541   1H5*    G  51          1H5*        G  51   2.506  18.896   6.970
  542   2H5*    G  51          2H5*        G  51   1.535  18.532   8.412
  543    H4*    G  51           H4*        G  51  -0.194  17.852   7.166
  544    H3*    G  51           H3*        G  51   1.835  16.052   5.887
  545    H2*    G  51           H2*        G  51   0.663  15.898   3.885
  546   2HO*    G  51          2HO*        G  51  -1.618  16.437   3.801
  547    H1*    G  51           H1*        G  51  -0.550  18.397   3.832
  548    H8     G  51           H8         G  51   3.066  18.917   4.637
  549    H1     G  51           H1         G  51   2.094  17.723  -1.576
  550   1H2     G  51          1H2         G  51   0.025  17.011  -1.900
  551   2H2     G  51          2H2         G  51  -1.122  16.829  -0.593
  552   1H5*    G  52          1H5*        G  52   2.815  12.442   5.433
  553   2H5*    G  52          2H5*        G  52   2.468  14.136   5.038
  554    H4*    G  52           H4*        G  52   0.339  12.247   4.262
  555    H3*    G  52           H3*        G  52   3.130  11.876   3.208
  556    H2*    G  52           H2*        G  52   2.411  11.905   0.971
  557   2HO*    G  52          2HO*        G  52  -0.053  11.916   0.685
  558    H1*    G  52           H1*        G  52   0.505  13.846   1.139
  559    H8     G  52           H8         G  52   3.027  15.368   3.311
  560    H1     G  52           H1         G  52   5.088  15.174  -2.747
  561   1H2     G  52          1H2         G  52   3.784  13.828  -3.945
  562   2H2     G  52          2H2         G  52   2.421  12.979  -3.255
  563   1H5*    A  53          1H5*        A  53   1.059   8.362   1.949
  564   2H5*    A  53          2H5*        A  53   2.055   6.904   1.776
  565    H4*    A  53           H4*        A  53   1.163   7.964  -0.377
  566    H3*    A  53           H3*        A  53   4.077   7.304   0.062
  567    H2*    A  53           H2*        A  53   4.657   8.252  -1.999
  568   2HO*    A  53          2HO*        A  53   2.572   7.092  -2.872
  569    H1*    A  53           H1*        A  53   2.781  10.307  -2.057
  570    H8     A  53           H8         A  53   4.182  10.664   1.321
  571   1H6     A  53          1H6         A  53   9.301  13.070  -1.170
  572   2H6     A  53          2H6         A  53   8.405  12.817   0.312
  573    H2     A  53           H2         A  53   6.890  11.222  -4.480
  574   1H5*    A  54          1H5*        A  54   2.870   4.902  -3.553
  575   2H5*    A  54          2H5*        A  54   3.806   3.395  -3.580
  576    H4*    A  54           H4*        A  54   4.103   4.896  -5.595
  577    H3*    A  54           H3*        A  54   6.453   4.017  -3.911
  578    H2*    A  54           H2*        A  54   7.921   5.277  -5.248
  579   2HO*    A  54          2HO*        A  54   7.514   4.935  -7.307
  580    H1*    A  54           H1*        A  54   6.284   7.452  -5.686
  581    H8     A  54           H8         A  54   5.937   6.478  -2.059
  582   1H6     A  54          1H6         A  54  11.128   9.666  -1.012
  583   2H6     A  54          2H6         A  54   9.776   8.841  -0.273
  584    H2     A  54           H2         A  54  10.607   9.291  -5.459
  585   1H5*    G  55          1H5*        G  55   7.564   2.098  -7.863
  586   2H5*    G  55          2H5*        G  55   8.370   0.579  -7.422
  587    H4*    G  55           H4*        G  55   9.804   2.198  -8.710
  588    H3*    G  55           H3*        G  55  10.642   1.249  -5.964
  589    H2*    G  55           H2*        G  55  12.579   2.585  -6.081
  590   2HO*    G  55          2HO*        G  55  12.184   2.280  -8.819
  591    H1*    G  55           H1*        G  55  11.464   4.760  -7.364
  592    H8     G  55           H8         G  55   9.091   3.520  -4.686
  593    H1     G  55           H1         G  55  13.891   7.070  -2.378
  594   1H2     G  55          1H2         G  55  15.397   7.431  -3.969
  595   2H2     G  55          2H2         G  55  15.221   6.799  -5.590
  596   1H5*    A  56          1H5*        A  56  13.867   0.890  -7.873
  597   2H5*    A  56          2H5*        A  56  14.566  -0.728  -8.079
  598    H4*    A  56           H4*        A  56  16.348   0.532  -7.233
  599    H3*    A  56           H3*        A  56  14.983  -0.960  -4.995
  600    H2*    A  56           H2*        A  56  16.235   0.144  -3.385
  601   2HO*    A  56          2HO*        A  56  18.317   0.309  -3.621
  602    H1*    A  56           H1*        A  56  16.810   2.514  -4.841
  603    H8     A  56           H8         A  56  13.137   1.532  -4.257
  604   1H6     A  56          1H6         A  56  13.467   5.101   0.773
  605   2H6     A  56          2H6         A  56  12.409   4.168  -0.260
  606    H2     A  56           H2         A  56  17.604   4.757  -0.954
  607   1H5*    A  57          1H5*        A  57  19.753  -1.110  -5.055
  608   2H5*    A  57          2H5*        A  57  19.995  -2.852  -4.812
  609    H4*    A  57           H4*        A  57  21.627  -1.654  -3.496
  610    H3*    A  57           H3*        A  57  19.429  -2.990  -1.925
  611    H2*    A  57           H2*        A  57  20.222  -2.090   0.097
  612   2HO*    A  57          2HO*        A  57  22.579  -2.426  -1.026
  613    H1*    A  57           H1*        A  57  20.931   0.402  -0.800
  614    H8     A  57           H8         A  57  17.695  -1.052  -2.297
  615   1H6     A  57          1H6         A  57  14.793   1.812   2.339
  616   2H6     A  57          2H6         A  57  14.589   0.897   0.864
  617    H2     A  57           H2         A  57  19.218   2.239   3.006
  618   1H5*    C  58          1H5*        C  58  22.831  -4.166   0.435
  619   2H5*    C  58          2H5*        C  58  22.640  -5.908   0.716
  620    H4*    C  58           H4*        C  58  22.809  -4.670   2.835
  621    H3*    C  58           H3*        C  58  20.157  -5.994   2.228
  622    H2*    C  58           H2*        C  58  19.257  -5.141   4.203
  623   2HO*    C  58          2HO*        C  58  20.387  -4.935   6.012
  624    H1*    C  58           H1*        C  58  20.811  -2.787   4.359
  625   1H4     C  58          1H4         C  58  14.959  -0.759   2.920
  626   2H4     C  58          2H4         C  58  15.074  -1.453   1.317
  627    H5     C  58           H5         C  58  16.968  -2.739   0.569
  628    H6     C  58           H6         C  58  19.151  -3.658   1.200
  629   1H5*    C  59          1H5*        C  59  21.217  -6.586   6.035
  630   2H5*    C  59          2H5*        C  59  20.999  -8.215   6.708
  631    H4*    C  59           H4*        C  59  19.869  -6.558   8.102
  632    H3*    C  59           H3*        C  59  18.081  -8.448   6.561
  633    H2*    C  59           H2*        C  59  16.189  -7.359   7.369
  634   2HO*    C  59          2HO*        C  59  16.069  -6.899   9.412
  635    H1*    C  59           H1*        C  59  17.338  -4.794   7.726
  636   1H4     C  59          1H4         C  59  13.236  -4.081   2.929
  637   2H4     C  59          2H4         C  59  14.213  -5.094   1.889
  638    H5     C  59           H5         C  59  16.219  -6.208   2.633
  639    H6     C  59           H6         C  59  17.699  -6.616   4.545
  640   1H5*    G  60          1H5*        G  60  17.618  -8.486  11.305
  641   2H5*    G  60          2H5*        G  60  17.240 -10.182  11.662
  642    H4*    G  60           H4*        G  60  15.848  -8.665  12.996
  643    H3*    G  60           H3*        G  60  14.438 -10.333  10.906
  644    H2*    G  60           H2*        G  60  12.381  -9.354  11.494
  645   2HO*    G  60          2HO*        G  60  12.600  -7.836  13.511
  646    H1*    G  60           H1*        G  60  13.294  -6.787  11.954
  647    H8     G  60           H8         G  60  14.905  -8.262   8.854
  648    H1     G  60           H1         G  60   9.083  -5.820   7.786
  649   1H2     G  60          1H2         G  60   8.097  -5.342   9.716
  650   2H2     G  60          2H2         G  60   8.870  -5.620  11.261
  651   1H5*    G  61          1H5*        G  61  11.792 -10.006  13.746
  652   2H5*    G  61          2H5*        G  61  11.540 -11.581  14.522
  653    H4*    G  61           H4*        G  61   9.369 -10.751  14.135
  654    H3*    G  61           H3*        G  61  10.141 -12.690  11.945
  655    H2*    G  61           H2*        G  61   8.129 -12.269  10.846
  656   2HO*    G  61          2HO*        G  61   7.145 -11.432  13.382
  657    H1*    G  61           H1*        G  61   7.733  -9.618  11.780
  658    H8     G  61           H8         G  61  11.048 -10.203  10.006
  659    H1     G  61           H1         G  61   6.198  -8.979   6.024
  660   1H2     G  61          1H2         G  61   4.275  -8.988   7.136
  661   2H2     G  61          2H2         G  61   4.188  -9.297   8.855
  662   1H5*    G  62          1H5*        G  62   6.129 -13.047  12.663
  663   2H5*    G  62          2H5*        G  62   5.837 -14.658  13.348
  664    H4*    G  62           H4*        G  62   4.129 -14.372  11.750
  665    H3*    G  62           H3*        G  62   6.390 -16.018  10.608
  666    H2*    G  62           H2*        G  62   5.387 -16.031   8.511
  667   2HO*    G  62          2HO*        G  62   2.890 -15.394   9.726
  668    H1*    G  62           H1*        G  62   3.921 -13.606   8.746
  669    H8     G  62           H8         G  62   7.751 -13.641   9.183
  670    H1     G  62           H1         G  62   5.746 -12.499   3.212
  671   1H2     G  62          1H2         G  62   3.546 -12.748   3.087
  672   2H2     G  62          2H2         G  62   2.571 -13.193   4.472
  673   1H5*    G  63          1H5*        G  63   5.297 -20.188   9.070
  674   2H5*    G  63          2H5*        G  63   6.656 -19.380   8.263
  675    H4*    G  63           H4*        G  63   3.748 -19.445   7.516
  676    H3*    G  63           H3*        G  63   6.358 -20.021   6.170
  677    H2*    G  63           H2*        G  63   5.766 -18.969   4.162
  678   2HO*    G  63          2HO*        G  63   3.823 -19.610   3.567
  679    H1*    G  63           H1*        G  63   4.418 -16.819   5.123
  680    H8     G  63           H8         G  63   7.084 -17.143   7.669
  681    H1     G  63           H1         G  63   9.449 -15.138   2.072
  682   1H2     G  63          1H2         G  63   7.933 -15.369   0.482
  683   2H2     G  63          2H2         G  63   6.339 -16.018   0.789
  684   1H5*    A  64          1H5*        A  64   7.748 -23.593   5.521
  685   2H5*    A  64          2H5*        A  64   8.149 -21.963   4.943
  686    H4*    A  64           H4*        A  64   8.894 -24.134   3.607
  687    H3*    A  64           H3*        A  64   8.119 -21.428   2.634
  688    H2*    A  64           H2*        A  64   7.694 -22.072   0.433
  689   2HO*    A  64          2HO*        A  64   8.798 -23.615  -0.568
  690    H1*    A  64           H1*        A  64   6.672 -24.579   0.793
  691    H8     A  64           H8         A  64   5.398 -22.196   3.487
  692   1H6     A  64          1H6         A  64   0.851 -20.778  -0.435
  693   2H6     A  64          2H6         A  64   1.456 -20.591   1.195
  694    H2     A  64           H2         A  64   3.822 -23.326  -2.640
  695   1H5*    A  65          1H5*        A  65  10.635 -18.776  -0.088
  696   2H5*    A  65          2H5*        A  65   9.162 -19.148   0.829
  697    H4*    A  65           H4*        A  65   9.746 -20.144  -1.980
  698    H3*    A  65           H3*        A  65   8.358 -17.659  -1.035
  699    H2*    A  65           H2*        A  65   6.457 -18.032  -2.333
  700   2HO*    A  65          2HO*        A  65   8.022 -18.570  -4.189
  701    H1*    A  65           H1*        A  65   6.349 -20.784  -2.277
  702    H8     A  65           H8         A  65   6.941 -20.193   1.265
  703   1H6     A  65          1H6         A  65   1.125 -18.197   1.829
  704   2H6     A  65          2H6         A  65   2.548 -18.744   2.688
  705    H2     A  65           H2         A  65   2.134 -18.296  -2.551
  706   1H5*    A  66          1H5*        A  66   8.808 -15.053  -5.734
  707   2H5*    A  66          2H5*        A  66   8.370 -14.033  -4.350
  708    H4*    A  66           H4*        A  66   6.769 -14.735  -6.581
  709    H3*    A  66           H3*        A  66   6.405 -13.107  -4.097
  710    H2*    A  66           H2*        A  66   4.073 -13.357  -4.039
  711   2HO*    A  66          2HO*        A  66   2.955 -14.250  -5.921
  712    H1*    A  66           H1*        A  66   3.840 -15.942  -4.775
  713    H8     A  66           H8         A  66   7.034 -15.482  -2.744
  714   1H6     A  66          1H6         A  66   3.537 -16.331   2.277
  715   2H6     A  66          2H6         A  66   5.177 -16.180   1.679
  716    H2     A  66           H2         A  66   0.800 -15.986  -1.288
  717   1H5*    C  67          1H5*        C  67   3.665 -11.488  -5.479
  718   2H5*    C  67          2H5*        C  67   3.640  -9.718  -5.340
  719    H4*    C  67           H4*        C  67   1.995 -10.914  -3.858
  720    H3*    C  67           H3*        C  67   4.106  -9.111  -2.655
  721    H2*    C  67           H2*        C  67   3.306  -9.593  -0.505
  722   2HO*    C  67          2HO*        C  67   0.936 -10.531  -1.781
  723    H1*    C  67           H1*        C  67   2.587 -12.249  -0.946
  724   1H4     C  67          1H4         C  67   8.121 -12.356   2.223
  725   2H4     C  67          2H4         C  67   8.994 -12.046   0.739
  726    H5     C  67           H5         C  67   7.903 -11.633  -1.372
  727    H6     C  67           H6         C  67   5.744 -11.389  -2.503
  728   1H5*    U  68          1H5*        U  68   1.045  -8.569  -0.445
  729   2H5*    U  68          2H5*        U  68   0.409  -6.913  -0.506
  730    H4*    U  68           H4*        U  68   0.563  -7.420   1.791
  731    H3*    U  68           H3*        U  68   2.983  -5.816   0.928
  732    H2*    U  68           H2*        U  68   3.794  -5.910   3.134
  733   2HO*    U  68          2HO*        U  68   2.481  -6.313   4.898
  734    H1*    U  68           H1*        U  68   2.841  -8.470   3.747
  735    H3     U  68           H3         U  68   7.288  -9.086   4.107
  736    H5     U  68           H5         U  68   6.713  -8.417  -0.016
  737    H6     U  68           H6         U  68   4.380  -7.942   0.454
  738   1H5*    U  69          1H5*        U  69   1.497  -4.791   4.226
  739   2H5*    U  69          2H5*        U  69   0.944  -3.147   4.602
  740    H4*    U  69           H4*        U  69   2.177  -3.795   6.497
  741    H3*    U  69           H3*        U  69   3.950  -2.163   4.663
  742    H2*    U  69           H2*        U  69   5.714  -2.446   6.163
  743   2HO*    U  69          2HO*        U  69   5.343  -3.034   8.368
  744    H1*    U  69           H1*        U  69   4.949  -4.979   7.152
  745    H3     U  69           H3         U  69   9.074  -5.923   5.591
  746    H5     U  69           H5         U  69   6.950  -4.806   2.130
  747    H6     U  69           H6         U  69   5.069  -4.234   3.547
  748   1H5*    G  70          1H5*        G  70   4.243  -1.018   8.425
  749   2H5*    G  70          2H5*        G  70   4.582   0.681   8.810
  750    H4*    G  70           H4*        G  70   6.342  -0.788   9.673
  751    H3*    G  70           H3*        G  70   7.188   1.008   7.377
  752    H2*    G  70           H2*        G  70   9.346   0.127   7.573
  753   2HO*    G  70          2HO*        G  70  10.028  -0.927   9.535
  754    H1*    G  70           H1*        G  70   8.558  -2.417   8.581
  755    H8     G  70           H8         G  70   7.203  -1.221   5.174
  756    H1     G  70           H1         G  70  12.720  -4.458   4.925
  757   1H2     G  70          1H2         G  70  13.469  -4.826   6.985
  758   2H2     G  70          2H2         G  70  12.610  -4.274   8.405
  759   1H5*    G  71          1H5*        G  71   9.440   2.284  11.388
  760   2H5*    G  71          2H5*        G  71   9.742   4.017  11.148
  761    H4*    G  71           H4*        G  71  11.759   2.771  11.893
  762    H3*    G  71           H3*        G  71  11.801   4.121   9.188
  763    H2*    G  71           H2*        G  71  13.975   3.322   8.800
  764   2HO*    G  71          2HO*        G  71  15.307   3.496  10.410
  765    H1*    G  71           H1*        G  71  13.717   0.853  10.029
  766    H8     G  71           H8         G  71  10.734   1.799   7.834
  767    H1     G  71           H1         G  71  15.594  -0.835   4.604
  768   1H2     G  71          1H2         G  71  17.343  -1.094   5.948
  769   2H2     G  71          2H2         G  71  17.324  -0.603   7.626
  770   1H5*    U  72          1H5*        U  72  15.468   5.814  11.005
  771   2H5*    U  72          2H5*        U  72  15.381   7.550  10.649
  772    H4*    U  72           H4*        U  72  17.484   6.574   9.834
  773    H3*    U  72           H3*        U  72  15.536   7.544   7.729
  774    H2*    U  72           H2*        U  72  17.002   6.851   6.044
  775   2HO*    U  72          2HO*        U  72  19.073   7.168   6.228
  776    H1*    U  72           H1*        U  72  18.133   4.658   7.398
  777    H3     U  72           H3         U  72  16.352   2.750   3.705
  778    H5     U  72           H5         U  72  12.994   3.861   6.001
  779    H6     U  72           H6         U  72  14.500   4.998   7.528
  780   1H5*    U  73          1H5*        U  73  19.647   9.443   7.052
  781   2H5*    U  73          2H5*        U  73  19.309  11.054   6.390
  782    H4*    U  73           H4*        U  73  20.904   9.713   5.013
  783    H3*    U  73           H3*        U  73  18.269  10.538   3.758
  784    H2*    U  73           H2*        U  73  19.017   9.575   1.726
  785   2HO*    U  73          2HO*        U  73  21.267  10.469   2.193
  786    H1*    U  73           H1*        U  73  20.124   7.318   2.845
  787    H3     U  73           H3         U  73  16.397   5.785   0.772
  788    H5     U  73           H5         U  73  14.934   7.749   4.205
  789    H6     U  73           H6         U  73  17.192   8.520   4.644
  790   1H5*    C  74          1H5*        C  74  21.106  11.649   0.829
  791   2H5*    C  74          2H5*        C  74  20.538  13.161   0.097
  792    H4*    C  74           H4*        C  74  20.789  11.242  -1.505
  793    H3*    C  74           H3*        C  74  18.039  12.479  -1.173
  794    H2*    C  74           H2*        C  74  17.293  11.043  -2.889
  795   2HO*    C  74          2HO*        C  74  19.613   9.901  -3.710
  796    H1*    C  74           H1*        C  74  18.937   8.869  -2.210
  797   1H4     C  74          1H4         C  74  13.137   7.232  -0.162
  798   2H4     C  74          2H4         C  74  13.328   8.258   1.242
  799    H5     C  74           H5         C  74  15.229   9.695   1.579
  800    H6     C  74           H6         C  74  17.352  10.475   0.637
  801   1H5*    U  75          1H5*        U  75  19.252  13.232  -4.967
  802   2H5*    U  75          2H5*        U  75  18.585  14.574  -5.914
  803    H4*    U  75           H4*        U  75  17.763  12.341  -6.654
  804    H3*    U  75           H3*        U  75  15.748  14.323  -5.566
  805    H2*    U  75           H2*        U  75  14.052  12.761  -5.941
  806   2HO*    U  75          2HO*        U  75  14.129  12.077  -7.947
  807    H1*    U  75           H1*        U  75  15.651  10.437  -5.615
  808    H3     U  75           H3         U  75  12.111   9.911  -2.807
  809    H5     U  75           H5         U  75  14.619  12.685  -0.868
  810    H6     U  75           H6         U  75  15.965  12.783  -2.886
  811   1H5*    U  76          1H5*        U  76  14.655  13.272  -9.320
  812   2H5*    U  76          2H5*        U  76  14.172  14.519 -10.489
  813    H4*    U  76           H4*        U  76  12.415  12.892 -10.403
  814    H3*    U  76           H3*        U  76  11.754  15.478  -8.998
  815    H2*    U  76           H2*        U  76   9.767  14.615  -8.170
  816   2HO*    U  76          2HO*        U  76   9.813  12.682 -10.263
  817    H1*    U  76           H1*        U  76  10.460  11.856  -8.195
  818    H3     U  76           H3         U  76   9.061  12.285  -3.943
  819    H5     U  76           H5         U  76  12.518  14.694  -4.097
  820    H6     U  76           H6         U  76  12.606  14.299  -6.491
  821   1H5*    C  77          1H5*        C  77   7.321  16.363 -11.782
  822   2H5*    C  77          2H5*        C  77   7.482  17.251 -10.253
  823    H4*    C  77           H4*        C  77   5.900  14.798 -10.891
  824    H3*    C  77           H3*        C  77   5.516  17.306  -9.264
  825    H2*    C  77           H2*        C  77   4.184  16.203  -7.710
  826   2HO*    C  77          2HO*        C  77   3.780  14.120  -9.610
  827    H1*    C  77           H1*        C  77   5.346  13.657  -7.876
  828   1H4     C  77          1H4         C  77   7.178  16.254  -2.336
  829   2H4     C  77          2H4         C  77   8.513  17.038  -3.150
  830    H5     C  77           H5         C  77   8.831  16.959  -5.539
  831    H6     C  77           H6         C  77   7.922  16.133  -7.663
  832   1H5*    C  78          1H5*        C  78   1.133  17.262 -10.687
  833   2H5*    C  78          2H5*        C  78   2.395  17.120  -9.447
  834    H4*    C  78           H4*        C  78  -0.219  15.626  -9.193
  835    H3*    C  78           H3*        C  78   0.258  18.546  -8.681
  836    H2*    C  78           H2*        C  78  -0.548  18.460  -6.511
  837   2HO*    C  78          2HO*        C  78  -2.377  16.906  -7.666
  838    H1*    C  78           H1*        C  78  -0.043  15.750  -5.915
  839   1H4     C  78          1H4         C  78   4.150  18.872  -2.307
  840   2H4     C  78          2H4         C  78   5.094  19.291  -3.717
  841    H5     C  78           H5         C  78   4.406  18.781  -5.966
  842    H6     C  78           H6         C  78   2.669  17.743  -7.351
  843   1H5*    U  79          1H5*        U  79  -3.682  20.974  -7.604
  844   2H5*    U  79          2H5*        U  79  -2.021  20.826  -6.996
  845    H4*    U  79           H4*        U  79  -4.440  19.626  -5.610
  846    H3*    U  79           H3*        U  79  -3.245  22.369  -5.364
  847    H2*    U  79           H2*        U  79  -3.056  22.247  -3.055
  848   2HO*    U  79          2HO*        U  79  -5.270  20.518  -3.291
  849    H1*    U  79           H1*        U  79  -2.800  19.468  -2.733
  850    H3     U  79           H3         U  79   0.858  21.410  -0.784
  851    H5     U  79           H5         U  79   1.712  21.291  -4.912
  852    H6     U  79           H6         U  79  -0.582  20.601  -5.300
  853   1H5*    A  80          1H5*        A  80  -6.228  25.521  -3.052
  854   2H5*    A  80          2H5*        A  80  -4.543  25.630  -3.600
  855    H4*    A  80           H4*        A  80  -5.498  24.695  -0.874
  856    H3*    A  80           H3*        A  80  -5.130  27.326  -1.683
  857    H2*    A  80           H2*        A  80  -2.822  27.296  -2.052
  858   2HO*    A  80          2HO*        A  80  -3.369  27.767   0.618
  859    H1*    A  80           H1*        A  80  -2.270  25.289   0.102
  860    H8     A  80           H8         A  80  -2.011  25.480  -3.792
  861   1H6     A  80          1H6         A  80   3.959  24.168  -2.907
  862   2H6     A  80          2H6         A  80   2.717  24.487  -4.097
  863    H2     A  80           H2         A  80   1.986  24.411   1.125
  864   1H5*    A  81          1H5*        A  81  -7.854  26.808   2.468
  865   2H5*    A  81          2H5*        A  81  -7.870  28.472   3.087
  866    H4*    A  81           H4*        A  81  -8.019  26.934   4.948
  867    H3*    A  81           H3*        A  81  -5.533  28.556   4.656
  868    H2*    A  81           H2*        A  81  -4.272  27.322   6.163
  869   2HO*    A  81          2HO*        A  81  -5.844  27.560   7.845
  870    H1*    A  81           H1*        A  81  -5.411  24.810   5.899
  871    H8     A  81           H8         A  81  -4.865  25.748   2.386
  872   1H6     A  81          1H6         A  81   1.148  24.554   3.138
  873   2H6     A  81          2H6         A  81  -0.124  24.855   1.976
  874    H2     A  81           H2         A  81  -0.750  24.711   7.210
  875   1H5*    G  82          1H5*        G  82  -4.743  30.979   9.170
  876   2H5*    G  82          2H5*        G  82  -3.878  31.048   7.621
  877    H4*    G  82           H4*        G  82  -3.357  29.334  10.031
  878    H3*    G  82           H3*        G  82  -1.838  31.296   8.408
  879    H2*    G  82           H2*        G  82   0.025  29.972   7.999
  880   2HO*    G  82          2HO*        G  82  -0.173  29.410  10.484
  881    H1*    G  82           H1*        G  82  -1.051  27.461   7.911
  882    H8     G  82           H8         G  82  -3.558  29.401   6.005
  883    H1     G  82           H1         G  82   1.865  28.652   2.685
  884   1H2     G  82          1H2         G  82   3.478  27.920   4.022
  885   2H2     G  82          2H2         G  82   3.222  27.617   5.725
  886   1H5*    U  83          1H5*        U  83   1.654  30.405  11.200
  887   2H5*    U  83          2H5*        U  83   1.834  32.059  11.821
  888    H4*    U  83           H4*        U  83   3.932  31.152  10.843
  889    H3*    U  83           H3*        U  83   2.651  33.621   9.710
  890    H2*    U  83           H2*        U  83   4.110  33.706   7.888
  891   2HO*    U  83          2HO*        U  83   6.155  33.094   8.004
  892    H1*    U  83           H1*        U  83   4.474  31.008   7.440
  893    H3     U  83           H3         U  83   2.233  32.377   3.752
  894    H5     U  83           H5         U  83  -0.697  32.340   6.781
  895    H6     U  83           H6         U  83   1.062  31.872   8.386
  896   1H5*    C  84          1H5*        C  84   6.609  34.121   9.654
  897   2H5*    C  84          2H5*        C  84   7.274  35.620  10.335
  898    H4*    C  84           H4*        C  84   8.113  35.321   8.080
  899    H3*    C  84           H3*        C  84   6.120  37.552   8.464
  900    H2*    C  84           H2*        C  84   6.099  38.021   6.177
  901   2HO*    C  84          2HO*        C  84   8.182  36.464   5.317
  902    H1*    C  84           H1*        C  84   6.505  35.436   5.206
  903   1H4     C  84          1H4         C  84   0.316  36.513   4.259
  904   2H4     C  84          2H4         C  84  -0.004  36.422   5.977
  905    H5     C  84           H5         C  84   1.730  36.136   7.628
  906    H6     C  84           H6         C  84   4.144  35.894   7.988
  907   1H5*    C  85          1H5*        C  85   9.501  38.829   6.129
  908   2H5*    C  85          2H5*        C  85  10.224  40.291   6.830
  909    H4*    C  85           H4*        C  85  10.086  40.623   4.462
  910    H3*    C  85           H3*        C  85   8.025  42.170   6.033
  911    H2*    C  85           H2*        C  85   7.061  42.990   4.055
  912   2HO*    C  85          2HO*        C  85   8.997  41.996   2.315
  913    H1*    C  85           H1*        C  85   7.341  40.733   2.494
  914   1H4     C  85          1H4         C  85   1.357  40.373   4.633
  915   2H4     C  85          2H4         C  85   1.922  39.948   6.230
  916    H5     C  85           H5         C  85   4.248  39.861   6.829
  917    H6     C  85           H6         C  85   6.543  40.170   6.030
  918   1H5*    U  86          1H5*        U  86   9.051  44.232   2.829
  919   2H5*    U  86          2H5*        U  86   9.509  45.915   3.153
  920    H4*    U  86           H4*        U  86   7.757  45.751   1.424
  921    H3*    U  86           H3*        U  86   7.095  47.102   4.026
  922    H2*    U  86           H2*        U  86   4.857  47.163   3.550
  923   2HO*    U  86          2HO*        U  86   5.454  47.325   0.773
  924    H1*    U  86           H1*        U  86   4.927  45.280   1.320
  925    H3     U  86           H3         U  86   0.993  44.098   3.144
  926    H5     U  86           H5         U  86   3.784  43.298   6.204
  927    H6     U  86           H6         U  86   5.492  44.318   4.812
  928    H3T    U  86           H3T        U  86   7.730  48.764   2.903
  929   1HO1  MN6 101          1HO1      MN6 101   1.123 -40.642   6.331
  930   2HO1  MN6 101          2HO1      MN6 101   2.159 -39.474   6.476
  931   1HO2  MN6 101          1HO2      MN6 101  -0.018 -38.040   2.365
  932   2HO2  MN6 101          2HO2      MN6 101  -0.295 -36.813   3.302
  933   1HO3  MN6 101          1HO3      MN6 101   0.844 -36.993   6.500
  934   2HO3  MN6 101          2HO3      MN6 101   1.947 -36.859   5.395
  935   1HO4  MN6 101          1HO4      MN6 101  -0.857 -40.836   4.959
  936   2HO4  MN6 101          2HO4      MN6 101   0.149 -40.982   3.765
  937   1HO5  MN6 101          1HO5      MN6 101  -1.744 -37.584   5.560
  938   2HO5  MN6 101          2HO5      MN6 101  -0.971 -38.109   6.819
  939   1HO6  MN6 101          1HO6      MN6 101   1.966 -39.436   3.021
  940   2HO6  MN6 101          2HO6      MN6 101   2.727 -39.317   4.387
  941   1HO1  MN6 102          1HO1      MN6 102   5.206 -31.840  -7.856
  942   2HO1  MN6 102          2HO1      MN6 102   5.388 -31.110  -6.482
  943   1HO2  MN6 102          1HO2      MN6 102   1.260 -33.868  -5.642
  944   2HO2  MN6 102          2HO2      MN6 102   0.742 -32.908  -6.769
  945   1HO3  MN6 102          1HO3      MN6 102   2.920 -34.710  -7.438
  946   2HO3  MN6 102          2HO3      MN6 102   3.707 -34.879  -6.093
  947   1HO4  MN6 102          1HO4      MN6 102   3.455 -29.994  -6.462
  948   2HO4  MN6 102          2HO4      MN6 102   2.352 -30.335  -5.402
  949   1HO5  MN6 102          1HO5      MN6 102   3.156 -31.590  -8.820
  950   2HO5  MN6 102          2HO5      MN6 102   1.786 -32.302  -8.553
  951   1HO6  MN6 102          1HO6      MN6 102   4.341 -33.503  -4.560
  952   2HO6  MN6 102          2HO6      MN6 102   4.151 -31.986  -4.213
  953   1HO1  MN6 103          1HO1      MN6 103  -8.156 -13.675  -5.146
  954   2HO1  MN6 103          2HO1      MN6 103  -9.655 -13.762  -4.696
  955   1HO2  MN6 103          1HO2      MN6 103  -7.802 -16.272  -1.044
  956   2HO2  MN6 103          2HO2      MN6 103  -7.893 -14.929  -0.240
  957   1HO3  MN6 103          1HO3      MN6 103  -6.321 -12.960  -3.577
  958   2HO3  MN6 103          2HO3      MN6 103  -5.802 -13.668  -2.278
  959   1HO4  MN6 103          1HO4      MN6 103 -10.172 -15.349  -1.589
  960   2HO4  MN6 103          2HO4      MN6 103  -9.873 -16.171  -2.890
  961   1HO5  MN6 103          1HO5      MN6 103  -7.967 -15.935  -4.737
  962   2HO5  MN6 103          2HO5      MN6 103  -7.820 -16.834  -3.461
  963   1HO6  MN6 103          1HO6      MN6 103  -8.438 -12.032  -2.286
  964   2HO6  MN6 103          2HO6      MN6 103  -9.377 -12.808  -1.299
  965   1HO1  MN6 104          1HO1      MN6 104  -9.197  -1.346  -0.932
  966   2HO1  MN6 104          2HO1      MN6 104  -8.102  -0.824  -1.925
  967   1HO2  MN6 104          1HO2      MN6 104  -9.374  -4.127  -5.183
  968   2HO2  MN6 104          2HO2      MN6 104  -8.816  -5.068  -4.061
  969   1HO3  MN6 104          1HO3      MN6 104  -7.111  -1.684  -3.655
  970   2HO3  MN6 104          2HO3      MN6 104  -6.765  -3.050  -2.969
  971   1HO4  MN6 104          1HO4      MN6 104 -11.649  -2.528  -3.601
  972   2HO4  MN6 104          2HO4      MN6 104 -11.425  -2.093  -2.113
  973   1HO5  MN6 104          1HO5      MN6 104  -9.887  -0.681  -4.337
  974   2HO5  MN6 104          2HO5      MN6 104 -10.127  -1.899  -5.295
  975   1HO6  MN6 104          1HO6      MN6 104  -8.155  -3.464  -1.000
  976   2HO6  MN6 104          2HO6      MN6 104  -9.515  -4.238  -1.092
  977   1HO1  MN6 105          1HO1      MN6 105 -10.918  10.655   7.484
  978   2HO1  MN6 105          2HO1      MN6 105 -12.019   9.564   7.719
  979   1HO2  MN6 105          1HO2      MN6 105 -12.399  11.187   2.946
  980   2HO2  MN6 105          2HO2      MN6 105 -12.804   9.674   2.876
  981   1HO3  MN6 105          1HO3      MN6 105 -13.286  12.121   6.248
  982   2HO3  MN6 105          2HO3      MN6 105 -14.331  11.216   5.507
  983   1HO4  MN6 105          1HO4      MN6 105 -11.293   8.098   4.156
  984   2HO4  MN6 105          2HO4      MN6 105 -10.333   9.258   3.720
  985   1HO5  MN6 105          1HO5      MN6 105 -13.314   7.959   4.873
  986   2HO5  MN6 105          2HO5      MN6 105 -14.273   8.947   5.623
  987   1HO6  MN6 105          1HO6      MN6 105 -10.853  12.147   5.955
  988   2HO6  MN6 105          2HO6      MN6 105 -10.173  11.605   4.650
  989   1HO1  MN6 106          1HO1      MN6 106  -2.290  40.146   3.119
  990   2HO1  MN6 106          2HO1      MN6 106  -3.473  41.174   3.065
  991   1HO2  MN6 106          1HO2      MN6 106  -1.553  41.287   7.773
  992   2HO2  MN6 106          2HO2      MN6 106  -1.063  42.576   7.026
  993   1HO3  MN6 106          1HO3      MN6 106  -1.472  43.504   4.911
  994   2HO3  MN6 106          2HO3      MN6 106  -1.859  42.813   3.558
  995   1HO4  MN6 106          1HO4      MN6 106  -2.492  38.952   6.304
  996   2HO4  MN6 106          2HO4      MN6 106  -3.316  39.860   7.281
  997   1HO5  MN6 106          1HO5      MN6 106  -0.229  40.122   6.008
  998   2HO5  MN6 106          2HO5      MN6 106  -0.831  39.386   4.762
  999   1HO6  MN6 106          1HO6      MN6 106  -4.236  42.619   6.382
 1000   2HO6  MN6 106          2HO6      MN6 106  -4.781  41.906   5.097
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.638  30.102  -6.410
 1002   2HO1  MN6 107          2HO1      MN6 107  -2.742  29.035  -6.724
 1003   1HO2  MN6 107          1HO2      MN6 107  -5.972  32.407  -5.723
 1004   2HO2  MN6 107          2HO2      MN6 107  -5.585  32.292  -4.209
 1005   1HO3  MN6 107          1HO3      MN6 107  -3.976  31.900  -7.924
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.332  33.008  -7.021
 1007   1HO4  MN6 107          1HO4      MN6 107  -3.672  30.757  -3.127
 1008   2HO4  MN6 107          2HO4      MN6 107  -5.041  30.142  -3.581
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.779  32.504  -5.453
 1010   2HO5  MN6 107          2HO5      MN6 107  -2.734  32.957  -4.295
 1011   1HO6  MN6 107          1HO6      MN6 107  -5.726  30.651  -7.079
 1012   2HO6  MN6 107          2HO6      MN6 107  -5.729  29.518  -5.995
 1013   1HO1  MN6 108          1HO1      MN6 108   9.791  13.482   2.981
 1014   2HO1  MN6 108          2HO1      MN6 108   9.658  14.148   1.569
 1015   1HO2  MN6 108          1HO2      MN6 108   7.413  17.378   4.375
 1016   2HO2  MN6 108          2HO2      MN6 108   6.366  17.220   3.219
 1017   1HO3  MN6 108          1HO3      MN6 108   8.409  17.302   1.702
 1018   2HO3  MN6 108          2HO3      MN6 108   9.675  17.021   2.583
 1019   1HO4  MN6 108          1HO4      MN6 108   7.609  13.143   4.300
 1020   2HO4  MN6 108          2HO4      MN6 108   7.408  14.315   5.322
 1021   1HO5  MN6 108          1HO5      MN6 108   9.247  16.403   5.035
 1022   2HO5  MN6 108          2HO5      MN6 108   9.650  14.889   5.015
 1023   1HO6  MN6 108          1HO6      MN6 108   7.183  14.829   0.872
 1024   2HO6  MN6 108          2HO6      MN6 108   6.081  14.345   1.877
 1025   1HO1  MN6 109          1HO1      MN6 109  12.071   0.828   2.112
 1026   2HO1  MN6 109          2HO1      MN6 109  12.314   1.810   0.913
 1027   1HO2  MN6 109          1HO2      MN6 109   7.573   2.633   1.260
 1028   2HO2  MN6 109          2HO2      MN6 109   7.649   2.388   2.806
 1029   1HO3  MN6 109          1HO3      MN6 109  11.324   3.044   3.904
 1030   2HO3  MN6 109          2HO3      MN6 109  10.157   4.072   3.704
 1031   1HO4  MN6 109          1HO4      MN6 109  10.003   0.359   0.423
 1032   2HO4  MN6 109          2HO4      MN6 109   9.851   1.644  -0.462
 1033   1HO5  MN6 109          1HO5      MN6 109   8.739   0.628   3.381
 1034   2HO5  MN6 109          2HO5      MN6 109  10.227   0.697   3.872
 1035   1HO6  MN6 109          1HO6      MN6 109  11.103   4.437   1.546
 1036   2HO6  MN6 109          2HO6      MN6 109  10.747   3.821   0.149
 1037   1HO1  MN6 110          1HO1      MN6 110  10.323 -10.688   5.716
 1038   2HO1  MN6 110          2HO1      MN6 110   9.263 -11.829   5.886
 1039   1HO2  MN6 110          1HO2      MN6 110  13.139 -14.224   7.474
 1040   2HO2  MN6 110          2HO2      MN6 110  13.538 -12.997   8.363
 1041   1HO3  MN6 110          1HO3      MN6 110  12.125 -10.079   7.197
 1042   2HO3  MN6 110          2HO3      MN6 110  13.202 -10.919   7.967
 1043   1HO4  MN6 110          1HO4      MN6 110   9.755 -13.916   6.069
 1044   2HO4  MN6 110          2HO4      MN6 110  10.687 -14.823   6.945
 1045   1HO5  MN6 110          1HO5      MN6 110  13.089 -11.347   5.741
 1046   2HO5  MN6 110          2HO5      MN6 110  11.985 -11.966   4.816
 1047   1HO6  MN6 110          1HO6      MN6 110   9.902 -13.371   8.986
 1048   2HO6  MN6 110          2HO6      MN6 110  10.892 -12.340   9.630
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.499 -44.894  -3.595
    2   2H5*    G   1          2H5*        G   1   6.495 -43.138  -3.854
    3    H4*    G   1           H4*        G   1   6.698 -44.457  -5.961
    4    H3*    G   1           H3*        G   1   4.523 -42.473  -5.500
    5    H2*    G   1           H2*        G   1   3.176 -43.169  -7.272
    6   2HO*    G   1          2HO*        G   1   4.010 -44.410  -9.011
    7    H1*    G   1           H1*        G   1   3.579 -45.857  -7.226
    8    H8     G   1           H8         G   1   3.496 -45.167  -3.607
    9    H1     G   1           H1         G   1  -2.305 -44.466  -6.229
   10   1H2     G   1          1H2         G   1  -2.137 -44.417  -8.441
   11   2H2     G   1          2H2         G   1  -0.603 -44.554  -9.271
   12    H5T    G   1           H5T        G   1   4.182 -43.253  -3.727
   13   1H5*    G   2          1H5*        G   2   4.669 -42.238  -9.040
   14   2H5*    G   2          2H5*        G   2   5.108 -40.733  -9.871
   15    H4*    G   2           H4*        G   2   2.963 -41.422 -10.695
   16    H3*    G   2           H3*        G   2   2.865 -39.069  -8.809
   17    H2*    G   2           H2*        G   2   0.543 -39.076  -8.804
   18   2HO*    G   2          2HO*        G   2   0.580 -40.522 -11.259
   19    H1*    G   2           H1*        G   2   0.131 -41.822  -9.416
   20    H8     G   2           H8         G   2   2.191 -41.467  -6.297
   21    H1     G   2           H1         G   2  -4.071 -40.616  -5.266
   22   1H2     G   2          1H2         G   2  -5.139 -40.420  -7.195
   23   2H2     G   2          2H2         G   2  -4.314 -40.495  -8.736
   24   1H5*    G   3          1H5*        G   3   0.733 -38.129 -11.957
   25   2H5*    G   3          2H5*        G   3   1.052 -36.673 -12.920
   26    H4*    G   3           H4*        G   3  -1.249 -36.574 -12.386
   27    H3*    G   3           H3*        G   3   0.409 -34.786 -10.618
   28    H2*    G   3           H2*        G   3  -1.416 -34.262  -9.270
   29   2HO*    G   3          2HO*        G   3  -3.443 -35.297 -10.830
   30    H1*    G   3           H1*        G   3  -2.849 -36.657  -9.511
   31    H8     G   3           H8         G   3   0.881 -36.912  -8.597
   32    H1     G   3           H1         G   3  -3.083 -36.420  -3.593
   33   1H2     G   3          1H2         G   3  -5.142 -36.017  -4.300
   34   2H2     G   3          2H2         G   3  -5.545 -35.865  -5.994
   35   1H5*    A   4          1H5*        A   4  -3.088 -33.265 -11.635
   36   2H5*    A   4          2H5*        A   4  -3.138 -31.753 -12.564
   37    H4*    A   4           H4*        A   4  -4.861 -31.564 -10.951
   38    H3*    A   4           H3*        A   4  -2.394 -30.011 -10.204
   39    H2*    A   4           H2*        A   4  -3.215 -29.506  -8.088
   40   2HO*    A   4          2HO*        A   4  -5.780 -29.917  -9.242
   41    H1*    A   4           H1*        A   4  -4.851 -31.756  -7.684
   42    H8     A   4           H8         A   4  -1.135 -32.142  -8.697
   43   1H6     A   4          1H6         A   4  -0.064 -32.859  -2.661
   44   2H6     A   4          2H6         A   4   0.640 -32.893  -4.261
   45    H2     A   4           H2         A   4  -4.413 -31.841  -3.180
   46   1H5*    U   5          1H5*        U   5  -5.907 -27.563  -9.193
   47   2H5*    U   5          2H5*        U   5  -5.455 -25.859  -9.414
   48    H4*    U   5           H4*        U   5  -6.180 -26.588  -7.064
   49    H3*    U   5           H3*        U   5  -3.671 -25.047  -7.679
   50    H2*    U   5           H2*        U   5  -2.841 -25.291  -5.531
   51   2HO*    U   5          2HO*        U   5  -4.519 -25.874  -3.806
   52    H1*    U   5           H1*        U   5  -4.223 -27.651  -4.771
   53    H3     U   5           H3         U   5  -0.008 -28.922  -3.865
   54    H5     U   5           H5         U   5   0.010 -28.373  -8.045
   55    H6     U   5           H6         U   5  -2.258 -27.524  -7.876
   56   1H5*    A   6          1H5*        A   6  -7.806 -22.159  -4.565
   57   2H5*    A   6          2H5*        A   6  -6.308 -21.270  -4.224
   58    H4*    A   6           H4*        A   6  -7.845 -23.140  -2.410
   59    H3*    A   6           H3*        A   6  -7.912 -20.372  -2.572
   60    H2*    A   6           H2*        A   6  -5.764 -19.865  -1.819
   61   2HO*    A   6          2HO*        A   6  -6.121 -19.122   0.111
   62    H1*    A   6           H1*        A   6  -5.554 -22.211   0.015
   63    H8     A   6           H8         A   6  -3.864 -21.337  -3.378
   64   1H6     A   6          1H6         A   6   1.346 -20.953  -0.084
   65   2H6     A   6          2H6         A   6   0.649 -20.861  -1.684
   66    H2     A   6           H2         A   6  -2.029 -21.782   2.763
   67   1H5*    U   7          1H5*        U   7  -9.940 -20.483   2.964
   68   2H5*    U   7          2H5*        U   7  -9.147 -18.952   2.536
   69    H4*    U   7           H4*        U   7  -8.507 -19.824   4.789
   70    H3*    U   7           H3*        U   7  -6.782 -18.675   2.942
   71    H2*    U   7           H2*        U   7  -5.729 -20.632   2.185
   72   2HO*    U   7          2HO*        U   7  -4.108 -21.069   4.210
   73    H1*    U   7           H1*        U   7  -5.873 -21.939   4.888
   74    H3     U   7           H3         U   7  -7.542 -25.885   2.533
   75    H5     U   7           H5         U   7  -4.005 -24.325   0.851
   76    H6     U   7           H6         U   7  -4.330 -22.325   2.187
   77   1H5*    G   8          1H5*        G   8  -2.999 -19.870   4.922
   78   2H5*    G   8          2H5*        G   8  -3.049 -18.528   6.082
   79    H4*    G   8           H4*        G   8  -0.846 -18.431   5.390
   80    H3*    G   8           H3*        G   8  -2.489 -16.588   3.690
   81    H2*    G   8           H2*        G   8  -0.779 -16.239   2.140
   82   2HO*    G   8          2HO*        G   8   0.775 -16.533   4.349
   83    H1*    G   8           H1*        G   8   0.404 -18.722   2.154
   84    H8     G   8           H8         G   8  -3.265 -19.394   2.115
   85    H1     G   8           H1         G   8  -1.096 -17.454  -3.588
   86   1H2     G   8          1H2         G   8   0.967 -16.665  -3.386
   87   2H2     G   8          2H2         G   8   1.809 -16.618  -1.854
   88   1H5*    G   9          1H5*        G   9  -3.387 -12.973   3.160
   89   2H5*    G   9          2H5*        G   9  -2.874 -14.632   2.798
   90    H4*    G   9           H4*        G   9  -0.649 -12.724   2.773
   91    H3*    G   9           H3*        G   9  -3.069 -12.100   1.123
   92    H2*    G   9           H2*        G   9  -1.896 -12.041  -0.898
   93   2HO*    G   9          2HO*        G   9  -0.190 -10.696   0.215
   94    H1*    G   9           H1*        G   9  -0.075 -14.034  -0.474
   95    H8     G   9           H8         G   9  -2.914 -15.785   0.927
   96    H1     G   9           H1         G   9  -3.845 -14.791  -5.331
   97   1H2     G   9          1H2         G   9  -2.396 -13.283  -6.080
   98   2H2     G   9          2H2         G   9  -1.209 -12.523  -5.046
   99   1H5*    A  10          1H5*        A  10  -0.830  -8.726   0.484
  100   2H5*    A  10          2H5*        A  10  -1.651  -7.156   0.613
  101    H4*    A  10           H4*        A  10  -0.873  -7.682  -1.697
  102    H3*    A  10           H3*        A  10  -3.810  -7.275  -1.146
  103    H2*    A  10           H2*        A  10  -4.381  -7.851  -3.324
  104   2HO*    A  10          2HO*        A  10  -2.714  -7.767  -5.021
  105    H1*    A  10           H1*        A  10  -2.224  -9.578  -3.895
  106    H8     A  10           H8         A  10  -3.806 -10.891  -0.809
  107   1H6     A  10          1H6         A  10  -8.247 -13.337  -4.343
  108   2H6     A  10          2H6         A  10  -7.543 -13.299  -2.742
  109    H2     A  10           H2         A  10  -5.853 -10.511  -6.887
  110   1H5*    A  11          1H5*        A  11  -2.120  -4.656  -4.440
  111   2H5*    A  11          2H5*        A  11  -2.937  -3.079  -4.460
  112    H4*    A  11           H4*        A  11  -2.776  -4.191  -6.703
  113    H3*    A  11           H3*        A  11  -5.456  -3.467  -5.519
  114    H2*    A  11           H2*        A  11  -6.580  -4.423  -7.350
  115   2HO*    A  11          2HO*        A  11  -4.378  -5.006  -8.915
  116    H1*    A  11           H1*        A  11  -4.944  -6.601  -7.741
  117    H8     A  11           H8         A  11  -5.457  -6.082  -4.020
  118   1H6     A  11          1H6         A  11 -10.716  -9.271  -4.653
  119   2H6     A  11          2H6         A  11  -9.597  -8.557  -3.513
  120    H2     A  11           H2         A  11  -9.112  -8.410  -8.762
  121   1H5*    G  12          1H5*        G  12  -5.818  -1.067  -9.213
  122   2H5*    G  12          2H5*        G  12  -6.552   0.462  -8.692
  123    H4*    G  12           H4*        G  12  -7.927  -0.837 -10.338
  124    H3*    G  12           H3*        G  12  -9.056  -0.205  -7.602
  125    H2*    G  12           H2*        G  12 -11.044  -1.326  -8.163
  126   2HO*    G  12          2HO*        G  12 -11.689  -1.690 -10.264
  127    H1*    G  12           H1*        G  12  -9.915  -3.345  -9.707
  128    H8     G  12           H8         G  12  -7.940  -2.935  -6.508
  129    H1     G  12           H1         G  12 -13.356  -6.259  -5.737
  130   1H2     G  12          1H2         G  12 -14.605  -6.104  -7.568
  131   2H2     G  12          2H2         G  12 -14.106  -5.185  -8.969
  132   1H5*    A  13          1H5*        A  13 -11.797   0.477  -9.969
  133   2H5*    A  13          2H5*        A  13 -12.309   2.137 -10.331
  134    H4*    A  13           H4*        A  13 -14.360   1.124 -10.090
  135    H3*    A  13           H3*        A  13 -13.546   2.103  -7.355
  136    H2*    A  13           H2*        A  13 -15.363   1.026  -6.354
  137   2HO*    A  13          2HO*        A  13 -16.652   1.849  -8.439
  138    H1*    A  13           H1*        A  13 -15.513  -1.201  -8.012
  139    H8     A  13           H8         A  13 -12.061  -0.134  -6.636
  140   1H6     A  13          1H6         A  13 -13.145  -4.229  -2.138
  141   2H6     A  13          2H6         A  13 -11.972  -3.134  -2.832
  142    H2     A  13           H2         A  13 -16.850  -3.933  -4.665
  143   1H5*    A  14          1H5*        A  14 -17.973   3.035  -8.332
  144   2H5*    A  14          2H5*        A  14 -18.228   4.661  -7.665
  145    H4*    A  14           H4*        A  14 -20.004   3.052  -7.009
  146    H3*    A  14           H3*        A  14 -18.286   4.327  -4.883
  147    H2*    A  14           H2*        A  14 -19.329   3.072  -3.196
  148   2HO*    A  14          2HO*        A  14 -21.327   2.066  -3.481
  149    H1*    A  14           H1*        A  14 -19.644   0.703  -4.565
  150    H8     A  14           H8         A  14 -16.291   2.542  -5.067
  151   1H6     A  14          1H6         A  14 -14.192  -0.950  -0.431
  152   2H6     A  14          2H6         A  14 -13.765   0.213  -1.666
  153    H2     A  14           H2         A  14 -18.614  -1.682  -0.820
  154   1H5*    C  15          1H5*        C  15 -21.981   4.706  -3.085
  155   2H5*    C  15          2H5*        C  15 -22.209   6.394  -2.583
  156    H4*    C  15           H4*        C  15 -22.450   5.001  -0.639
  157    H3*    C  15           H3*        C  15 -19.835   6.518  -0.728
  158    H2*    C  15           H2*        C  15 -19.139   5.485   1.240
  159   2HO*    C  15          2HO*        C  15 -20.560   4.726   2.790
  160    H1*    C  15           H1*        C  15 -20.572   3.063   0.943
  161   1H4     C  15          1H4         C  15 -14.493   1.386   0.138
  162   2H4     C  15          2H4         C  15 -14.376   2.354  -1.313
  163    H5     C  15           H5         C  15 -16.184   3.699  -2.153
  164    H6     C  15           H6         C  15 -18.476   4.468  -1.753
  165   1H5*    C  16          1H5*        C  16 -21.647   6.502   3.158
  166   2H5*    C  16          2H5*        C  16 -21.592   8.129   3.867
  167    H4*    C  16           H4*        C  16 -20.752   6.479   5.459
  168    H3*    C  16           H3*        C  16 -18.717   8.404   4.325
  169    H2*    C  16           H2*        C  16 -17.001   7.326   5.452
  170   2HO*    C  16          2HO*        C  16 -18.605   5.876   7.217
  171    H1*    C  16           H1*        C  16 -18.200   4.749   5.623
  172   1H4     C  16          1H4         C  16 -13.235   3.848   1.778
  173   2H4     C  16          2H4         C  16 -13.888   4.959   0.594
  174    H5     C  16           H5         C  16 -15.937   6.188   0.922
  175    H6     C  16           H6         C  16 -17.781   6.644   2.472
  176   1H5*    G  17          1H5*        G  17 -18.663   7.487   8.563
  177   2H5*    G  17          2H5*        G  17 -18.726   8.994   9.496
  178    H4*    G  17           H4*        G  17 -17.212   7.760  10.735
  179    H3*    G  17           H3*        G  17 -15.595   9.323   8.712
  180    H2*    G  17           H2*        G  17 -13.645   8.257   9.433
  181   2HO*    G  17          2HO*        G  17 -14.796   7.189  11.762
  182    H1*    G  17           H1*        G  17 -14.812   5.807  10.213
  183    H8     G  17           H8         G  17 -15.960   5.997   6.804
  184    H1     G  17           H1         G  17  -9.599   5.322   6.881
  185   1H2     G  17          1H2         G  17  -8.820   5.692   8.931
  186   2H2     G  17          2H2         G  17  -9.864   6.116  10.271
  187   1H5*    G  18          1H5*        G  18 -13.345   8.857  12.084
  188   2H5*    G  18          2H5*        G  18 -13.157  10.458  12.827
  189    H4*    G  18           H4*        G  18 -11.028   9.338  12.904
  190    H3*    G  18           H3*        G  18 -11.181  11.549  10.849
  191    H2*    G  18           H2*        G  18  -9.040  11.049  10.088
  192   2HO*    G  18          2HO*        G  18  -8.633   9.988  12.692
  193    H1*    G  18           H1*        G  18  -8.995   8.298  10.796
  194    H8     G  18           H8         G  18 -11.883   9.165   8.520
  195    H1     G  18           H1         G  18  -6.378   8.310   5.378
  196   1H2     G  18          1H2         G  18  -4.692   8.164   6.819
  197   2H2     G  18          2H2         G  18  -4.924   8.287   8.549
  198   1H5*    G  19          1H5*        G  19  -7.416  11.515  12.168
  199   2H5*    G  19          2H5*        G  19  -7.158  12.949  13.180
  200    H4*    G  19           H4*        G  19  -5.231  12.901  11.874
  201    H3*    G  19           H3*        G  19  -7.257  14.720  10.581
  202    H2*    G  19           H2*        G  19  -5.959  14.945   8.670
  203   2HO*    G  19          2HO*        G  19  -4.126  15.625  10.030
  204    H1*    G  19           H1*        G  19  -4.528  12.497   8.831
  205    H8     G  19           H8         G  19  -8.393  12.700   8.694
  206    H1     G  19           H1         G  19  -5.525  11.771   3.046
  207   1H2     G  19          1H2         G  19  -3.320  11.850   3.289
  208   2H2     G  19          2H2         G  19  -2.556  12.133   4.837
  209   1H5*    G  20          1H5*        G  20  -6.807  19.049   9.953
  210   2H5*    G  20          2H5*        G  20  -7.898  18.096   8.926
  211    H4*    G  20           H4*        G  20  -4.895  18.338   8.807
  212    H3*    G  20           H3*        G  20  -7.180  18.871   6.946
  213    H2*    G  20           H2*        G  20  -6.129  17.895   5.093
  214   2HO*    G  20          2HO*        G  20  -3.928  18.858   6.262
  215    H1*    G  20           H1*        G  20  -4.936  15.764   6.285
  216    H8     G  20           H8         G  20  -7.994  15.635   8.236
  217    H1     G  20           H1         G  20  -9.311  14.496   2.078
  218   1H2     G  20          1H2         G  20  -7.582  15.040   0.816
  219   2H2     G  20          2H2         G  20  -6.102  15.691   1.481
  220   1H5*    A  21          1H5*        A  21  -8.198  23.004   6.361
  221   2H5*    A  21          2H5*        A  21  -8.825  21.496   5.665
  222    H4*    A  21           H4*        A  21  -8.936  23.669   4.250
  223    H3*    A  21           H3*        A  21  -8.185  20.933   3.356
  224    H2*    A  21           H2*        A  21  -7.136  21.583   1.381
  225   2HO*    A  21          2HO*        A  21  -9.145  23.068   1.065
  226    H1*    A  21           H1*        A  21  -6.079  24.008   2.084
  227    H8     A  21           H8         A  21  -5.718  21.319   4.799
  228   1H6     A  21          1H6         A  21  -0.263  20.044   2.212
  229   2H6     A  21          2H6         A  21  -1.320  19.731   3.570
  230    H2     A  21           H2         A  21  -2.398  22.970  -0.446
  231   1H5*    A  22          1H5*        A  22 -10.197  19.894  -0.644
  232   2H5*    A  22          2H5*        A  22  -9.468  18.430   0.045
  233    H4*    A  22           H4*        A  22  -8.349  20.343  -1.819
  234    H3*    A  22           H3*        A  22  -7.628  17.608  -0.798
  235    H2*    A  22           H2*        A  22  -5.360  17.904  -1.224
  236   2HO*    A  22          2HO*        A  22  -5.511  20.202  -2.758
  237    H1*    A  22           H1*        A  22  -5.155  20.656  -0.834
  238    H8     A  22           H8         A  22  -6.903  19.578   2.213
  239   1H6     A  22          1H6         A  22  -1.535  17.418   4.367
  240   2H6     A  22          2H6         A  22  -3.180  17.851   4.777
  241    H2     A  22           H2         A  22  -1.042  18.217  -0.029
  242   1H5*    A  23          1H5*        A  23  -6.142  15.894  -5.630
  243   2H5*    A  23          2H5*        A  23  -6.261  14.554  -4.472
  244    H4*    A  23           H4*        A  23  -3.929  15.613  -5.664
  245    H3*    A  23           H3*        A  23  -4.517  13.512  -3.602
  246    H2*    A  23           H2*        A  23  -2.345  13.573  -2.714
  247   2HO*    A  23          2HO*        A  23  -0.872  15.129  -4.169
  248    H1*    A  23           H1*        A  23  -1.863  16.249  -2.853
  249    H8     A  23           H8         A  23  -5.497  15.482  -1.930
  250   1H6     A  23          1H6         A  23  -3.588  15.488   3.943
  251   2H6     A  23          2H6         A  23  -4.984  15.452   2.887
  252    H2     A  23           H2         A  23   0.051  15.726   1.299
  253   1H5*    C  24          1H5*        C  24  -1.843  11.425  -5.218
  254   2H5*    C  24          2H5*        C  24  -2.153   9.684  -5.376
  255    H4*    C  24           H4*        C  24  -0.706  10.334  -3.417
  256    H3*    C  24           H3*        C  24  -3.304   8.844  -2.959
  257    H2*    C  24           H2*        C  24  -2.888   8.859  -0.649
  258   2HO*    C  24          2HO*        C  24  -0.319   9.860  -0.677
  259    H1*    C  24           H1*        C  24  -1.637  11.354  -0.517
  260   1H4     C  24          1H4         C  24  -7.528  12.200   1.746
  261   2H4     C  24          2H4         C  24  -8.190  12.133   0.128
  262    H5     C  24           H5         C  24  -6.849  11.698  -1.829
  263    H6     C  24           H6         C  24  -4.595  11.190  -2.649
  264   1H5*    U  25          1H5*        U  25  -0.683   7.440  -0.670
  265   2H5*    U  25          2H5*        U  25  -0.353   5.698  -0.637
  266    H4*    U  25           H4*        U  25  -0.727   6.450   1.620
  267    H3*    U  25           H3*        U  25  -3.029   4.850   0.479
  268    H2*    U  25           H2*        U  25  -4.211   5.128   2.488
  269   2HO*    U  25          2HO*        U  25  -3.173   5.670   4.439
  270    H1*    U  25           H1*        U  25  -3.219   7.673   3.150
  271    H3     U  25           H3         U  25  -7.662   8.419   2.830
  272    H5     U  25           H5         U  25  -6.445   7.779  -1.157
  273    H6     U  25           H6         U  25  -4.248   7.185  -0.322
  274   1H5*    U  26          1H5*        U  26  -1.947   4.069   4.083
  275   2H5*    U  26          2H5*        U  26  -1.309   2.484   4.563
  276    H4*    U  26           H4*        U  26  -2.608   2.991   6.398
  277    H3*    U  26           H3*        U  26  -4.457   1.577   4.458
  278    H2*    U  26           H2*        U  26  -6.216   1.867   5.993
  279   2HO*    U  26          2HO*        U  26  -4.224   1.671   7.798
  280    H1*    U  26           H1*        U  26  -5.507   4.397   6.871
  281    H3     U  26           H3         U  26  -9.303   5.416   4.680
  282    H5     U  26           H5         U  26  -6.821   3.889   1.635
  283    H6     U  26           H6         U  26  -5.160   3.389   3.332
  284   1H5*    G  27          1H5*        G  27  -5.111  -0.028   8.121
  285   2H5*    G  27          2H5*        G  27  -5.671  -1.711   8.104
  286    H4*    G  27           H4*        G  27  -7.328  -0.048   9.014
  287    H3*    G  27           H3*        G  27  -8.094  -1.697   6.586
  288    H2*    G  27           H2*        G  27 -10.198  -0.667   6.635
  289   2HO*    G  27          2HO*        G  27  -9.948  -0.982   9.221
  290    H1*    G  27           H1*        G  27  -9.328   1.789   7.751
  291    H8     G  27           H8         G  27  -7.486   0.872   4.559
  292    H1     G  27           H1         G  27 -13.193   3.588   3.550
  293   1H2     G  27          1H2         G  27 -14.319   3.700   5.451
  294   2H2     G  27          2H2         G  27 -13.671   3.114   6.966
  295   1H5*    G  28          1H5*        G  28 -11.270  -2.658   9.335
  296   2H5*    G  28          2H5*        G  28 -11.378  -4.429   9.383
  297    H4*    G  28           H4*        G  28 -13.570  -3.615   8.899
  298    H3*    G  28           H3*        G  28 -12.169  -4.724   6.462
  299    H2*    G  28           H2*        G  28 -13.911  -4.059   5.093
  300   2HO*    G  28          2HO*        G  28 -15.930  -3.495   6.766
  301    H1*    G  28           H1*        G  28 -14.887  -1.912   6.678
  302    H8     G  28           H8         G  28 -11.266  -2.031   5.320
  303    H1     G  28           H1         G  28 -15.476   0.949   1.535
  304   1H2     G  28          1H2         G  28 -17.513   0.809   2.414
  305   2H2     G  28          2H2         G  28 -17.838  -0.052   3.900
  306   1H5*    U  29          1H5*        U  29 -16.588  -6.242   7.242
  307   2H5*    U  29          2H5*        U  29 -16.473  -7.959   6.810
  308    H4*    U  29           H4*        U  29 -18.516  -7.030   5.887
  309    H3*    U  29           H3*        U  29 -16.379  -7.675   3.849
  310    H2*    U  29           H2*        U  29 -17.738  -6.853   2.128
  311   2HO*    U  29          2HO*        U  29 -20.041  -6.686   3.735
  312    H1*    U  29           H1*        U  29 -19.018  -4.821   3.559
  313    H3     U  29           H3         U  29 -16.778  -2.543   0.339
  314    H5     U  29           H5         U  29 -13.743  -3.949   2.907
  315    H6     U  29           H6         U  29 -15.437  -5.210   4.108
  316   1H5*    U  30          1H5*        U  30 -20.302  -9.115   2.362
  317   2H5*    U  30          2H5*        U  30 -19.997 -10.741   1.720
  318    H4*    U  30           H4*        U  30 -21.192  -9.305   0.102
  319    H3*    U  30           H3*        U  30 -18.404 -10.226  -0.623
  320    H2*    U  30           H2*        U  30 -18.537  -9.052  -2.655
  321   2HO*    U  30          2HO*        U  30 -20.696  -8.146  -3.268
  322    H1*    U  30           H1*        U  30 -19.967  -6.858  -1.739
  323    H3     U  30           H3         U  30 -16.008  -4.961  -2.762
  324    H5     U  30           H5         U  30 -15.118  -7.370   0.580
  325    H6     U  30           H6         U  30 -17.383  -8.237   0.473
  326   1H5*    C  31          1H5*        C  31 -20.788 -10.759  -4.117
  327   2H5*    C  31          2H5*        C  31 -20.221 -12.206  -4.974
  328    H4*    C  31           H4*        C  31 -20.073 -10.069  -6.295
  329    H3*    C  31           H3*        C  31 -17.567 -11.680  -5.753
  330    H2*    C  31           H2*        C  31 -16.313 -10.101  -6.931
  331   2HO*    C  31          2HO*        C  31 -18.645  -8.956  -8.065
  332    H1*    C  31           H1*        C  31 -17.899  -7.845  -6.323
  333   1H4     C  31          1H4         C  31 -12.572  -6.989  -2.972
  334   2H4     C  31          2H4         C  31 -12.994  -8.304  -1.897
  335    H5     C  31           H5         C  31 -14.943  -9.685  -2.203
  336    H6     C  31           H6         C  31 -16.898 -10.119  -3.617
  337   1H5*    U  32          1H5*        U  32 -17.662 -11.282 -10.224
  338   2H5*    U  32          2H5*        U  32 -17.255 -12.907 -10.811
  339    H4*    U  32           H4*        U  32 -15.792 -11.230 -11.826
  340    H3*    U  32           H3*        U  32 -14.517 -13.170  -9.896
  341    H2*    U  32           H2*        U  32 -12.443 -12.106 -10.127
  342   2HO*    U  32          2HO*        U  32 -13.525 -11.180 -12.568
  343    H1*    U  32           H1*        U  32 -13.347  -9.496 -10.390
  344    H3     U  32           H3         U  32 -11.182  -9.250  -6.452
  345    H5     U  32           H5         U  32 -14.485 -11.717  -5.601
  346    H6     U  32           H6         U  32 -15.051 -11.660  -7.960
  347   1H5*    U  33          1H5*        U  33 -12.400 -12.415 -13.435
  348   2H5*    U  33          2H5*        U  33 -11.557 -13.799 -14.159
  349    H4*    U  33           H4*        U  33 -10.128 -11.757 -13.815
  350    H3*    U  33           H3*        U  33  -9.400 -14.411 -12.589
  351    H2*    U  33           H2*        U  33  -7.654 -13.483 -11.378
  352   2HO*    U  33          2HO*        U  33  -6.764 -12.592 -13.396
  353    H1*    U  33           H1*        U  33  -8.610 -10.813 -11.205
  354    H3     U  33           H3         U  33  -7.830 -11.760  -6.857
  355    H5     U  33           H5         U  33 -11.066 -14.259  -7.872
  356    H6     U  33           H6         U  33 -10.804 -13.554 -10.179
  357   1H5*    C  34          1H5*        C  34  -4.467 -15.163 -14.356
  358   2H5*    C  34          2H5*        C  34  -5.303 -15.455 -12.818
  359    H4*    C  34           H4*        C  34  -3.555 -13.054 -13.458
  360    H3*    C  34           H3*        C  34  -2.977 -15.643 -12.052
  361    H2*    C  34           H2*        C  34  -1.988 -14.597 -10.222
  362   2HO*    C  34          2HO*        C  34  -0.504 -13.347 -11.346
  363    H1*    C  34           H1*        C  34  -3.463 -12.245 -10.153
  364   1H4     C  34          1H4         C  34  -5.741 -16.031  -5.533
  365   2H4     C  34          2H4         C  34  -6.923 -16.656  -6.662
  366    H5     C  34           H5         C  34  -6.935 -16.097  -9.002
  367    H6     C  34           H6         C  34  -5.817 -14.821 -10.772
  368   1H5*    C  35          1H5*        C  35   1.800 -16.729 -12.121
  369   2H5*    C  35          2H5*        C  35   0.606 -17.369 -10.972
  370    H4*    C  35           H4*        C  35   2.694 -15.228 -10.528
  371    H3*    C  35           H3*        C  35   2.224 -17.987  -9.487
  372    H2*    C  35           H2*        C  35   2.462 -17.421  -7.250
  373   2HO*    C  35          2HO*        C  35   4.258 -15.609  -8.305
  374    H1*    C  35           H1*        C  35   1.572 -14.796  -7.262
  375   1H4     C  35          1H4         C  35  -3.165 -18.370  -4.874
  376   2H4     C  35          2H4         C  35  -3.871 -18.432  -6.473
  377    H5     C  35           H5         C  35  -2.775 -17.571  -8.433
  378    H6     C  35           H6         C  35  -0.767 -16.461  -9.291
  379   1H5*    U  36          1H5*        U  36   5.199 -21.039  -8.981
  380   2H5*    U  36          2H5*        U  36   3.574 -21.353  -8.337
  381    H4*    U  36           H4*        U  36   5.950 -20.094  -6.968
  382    H3*    U  36           H3*        U  36   4.298 -22.544  -6.567
  383    H2*    U  36           H2*        U  36   3.939 -22.212  -4.292
  384   2HO*    U  36          2HO*        U  36   5.630 -20.222  -3.644
  385    H1*    U  36           H1*        U  36   3.888 -19.465  -4.149
  386    H3     U  36           H3         U  36  -0.248 -21.284  -3.143
  387    H5     U  36           H5         U  36  -0.234 -20.529  -7.291
  388    H6     U  36           H6         U  36   2.147 -20.090  -7.137
  389   1H5*    A  37          1H5*        A  37   7.758 -25.292  -3.523
  390   2H5*    A  37          2H5*        A  37   6.500 -26.184  -4.405
  391    H4*    A  37           H4*        A  37   6.551 -25.218  -1.603
  392    H3*    A  37           H3*        A  37   6.199 -27.698  -2.747
  393    H2*    A  37           H2*        A  37   4.072 -27.441  -3.679
  394   2HO*    A  37          2HO*        A  37   3.959 -28.369  -1.149
  395    H1*    A  37           H1*        A  37   3.025 -25.606  -1.577
  396    H8     A  37           H8         A  37   4.073 -25.330  -5.330
  397   1H6     A  37          1H6         A  37  -1.772 -23.566  -6.261
  398   2H6     A  37          2H6         A  37  -0.219 -23.860  -7.014
  399    H2     A  37           H2         A  37  -1.281 -24.468  -1.885
  400   1H5*    A  38          1H5*        A  38   8.224 -28.251   2.684
  401   2H5*    A  38          2H5*        A  38   6.946 -29.337   2.104
  402    H4*    A  38           H4*        A  38   7.055 -28.069   4.584
  403    H3*    A  38           H3*        A  38   4.952 -29.584   3.081
  404    H2*    A  38           H2*        A  38   3.189 -28.692   4.304
  405   2HO*    A  38          2HO*        A  38   4.288 -29.292   6.325
  406    H1*    A  38           H1*        A  38   4.235 -26.193   4.946
  407    H8     A  38           H8         A  38   4.770 -26.625   1.278
  408   1H6     A  38          1H6         A  38  -1.122 -24.961   0.460
  409   2H6     A  38          2H6         A  38   0.413 -25.253  -0.328
  410    H2     A  38           H2         A  38  -0.499 -25.731   4.845
  411   1H5*    G  39          1H5*        G  39   2.534 -32.604   5.642
  412   2H5*    G  39          2H5*        G  39   2.156 -32.301   3.933
  413    H4*    G  39           H4*        G  39   0.972 -31.083   6.406
  414    H3*    G  39           H3*        G  39  -0.034 -32.458   3.964
  415    H2*    G  39           H2*        G  39  -1.711 -30.918   3.479
  416   2HO*    G  39          2HO*        G  39  -2.782 -30.828   5.396
  417    H1*    G  39           H1*        G  39  -0.559 -28.580   4.282
  418    H8     G  39           H8         G  39   2.312 -30.232   2.656
  419    H1     G  39           H1         G  39  -2.038 -28.334  -1.641
  420   1H2     G  39          1H2         G  39  -3.932 -27.802  -0.620
  421   2H2     G  39          2H2         G  39  -4.129 -27.913   1.115
  422   1H5*    U  40          1H5*        U  40  -3.521 -32.396   6.134
  423   2H5*    U  40          2H5*        U  40  -4.251 -33.997   6.370
  424    H4*    U  40           H4*        U  40  -5.826 -32.525   5.240
  425    H3*    U  40           H3*        U  40  -4.708 -34.830   3.666
  426    H2*    U  40           H2*        U  40  -5.697 -34.110   1.677
  427   2HO*    U  40          2HO*        U  40  -7.315 -32.133   2.240
  428    H1*    U  40           H1*        U  40  -5.534 -31.372   2.039
  429    H3     U  40           H3         U  40  -2.847 -32.316  -1.519
  430    H5     U  40           H5         U  40  -0.555 -33.332   1.869
  431    H6     U  40           H6         U  40  -2.530 -32.969   3.233
  432   1H5*    C  41          1H5*        C  41  -8.501 -34.589   2.951
  433   2H5*    C  41          2H5*        C  41  -9.634 -35.935   3.192
  434    H4*    C  41           H4*        C  41 -10.001 -35.174   0.976
  435    H3*    C  41           H3*        C  41  -8.319 -37.678   1.058
  436    H2*    C  41           H2*        C  41  -7.991 -37.606  -1.249
  437   2HO*    C  41          2HO*        C  41  -9.464 -36.036  -2.472
  438    H1*    C  41           H1*        C  41  -8.067 -34.826  -1.602
  439   1H4     C  41          1H4         C  41  -1.922 -36.323  -2.240
  440   2H4     C  41          2H4         C  41  -1.796 -36.682  -0.532
  441    H5     C  41           H5         C  41  -3.674 -36.617   0.973
  442    H6     C  41           H6         C  41  -6.083 -36.206   1.166
  443   1H5*    C  42          1H5*        C  42 -11.304 -37.855  -2.093
  444   2H5*    C  42          2H5*        C  42 -12.197 -39.381  -1.930
  445    H4*    C  42           H4*        C  42 -11.582 -39.040  -4.254
  446    H3*    C  42           H3*        C  42 -10.149 -41.266  -2.810
  447    H2*    C  42           H2*        C  42  -8.822 -41.715  -4.695
  448   2HO*    C  42          2HO*        C  42 -10.489 -40.046  -6.282
  449    H1*    C  42           H1*        C  42  -8.448 -39.129  -5.568
  450   1H4     C  42          1H4         C  42  -3.204 -40.320  -2.167
  451   2H4     C  42          2H4         C  42  -4.112 -40.222  -0.677
  452    H5     C  42           H5         C  42  -6.493 -39.908  -0.601
  453    H6     C  42           H6         C  42  -8.528 -39.623  -1.934
  454   1H5*    U  43          1H5*        U  43 -10.567 -42.263  -6.586
  455   2H5*    U  43          2H5*        U  43 -11.222 -43.890  -6.858
  456    H4*    U  43           H4*        U  43  -9.082 -43.561  -8.029
  457    H3*    U  43           H3*        U  43  -9.190 -45.581  -5.803
  458    H2*    U  43           H2*        U  43  -6.914 -45.835  -5.785
  459   2HO*    U  43          2HO*        U  43  -6.030 -45.180  -8.189
  460    H1*    U  43           H1*        U  43  -6.295 -43.465  -7.376
  461    H3     U  43           H3         U  43  -2.861 -43.248  -4.495
  462    H5     U  43           H5         U  43  -6.251 -42.983  -1.999
  463    H6     U  43           H6         U  43  -7.632 -43.392  -3.953
  464    H3T    U  43           H3T        U  43 -10.195 -45.972  -7.832
  465   1H5*    G  44          1H5*        G  44 -10.318  40.758  -4.270
  466   2H5*    G  44          2H5*        G  44  -9.909  39.030  -4.258
  467    H4*    G  44           H4*        G  44  -9.222  40.165  -6.354
  468    H3*    G  44           H3*        G  44  -7.205  38.840  -4.580
  469    H2*    G  44           H2*        G  44  -5.366  39.706  -5.734
  470   2HO*    G  44          2HO*        G  44  -7.195  39.833  -7.853
  471    H1*    G  44           H1*        G  44  -6.309  42.194  -6.363
  472    H8     G  44           H8         G  44  -7.453  41.302  -2.860
  473    H1     G  44           H1         G  44  -1.396  43.371  -3.098
  474   1H2     G  44          1H2         G  44  -0.737  43.542  -5.210
  475   2H2     G  44          2H2         G  44  -1.780  43.144  -6.557
  476    H5T    G  44           H5T        G  44  -8.216  39.444  -2.900
  477   1H5*    G  45          1H5*        G  45  -5.496  38.703  -8.042
  478   2H5*    G  45          2H5*        G  45  -5.192  37.045  -8.598
  479    H4*    G  45           H4*        G  45  -3.149  38.366  -8.739
  480    H3*    G  45           H3*        G  45  -3.188  36.202  -6.629
  481    H2*    G  45           H2*        G  45  -1.089  36.853  -5.866
  482   2HO*    G  45          2HO*        G  45  -0.598  38.199  -8.323
  483    H1*    G  45           H1*        G  45  -1.208  39.582  -6.658
  484    H8     G  45           H8         G  45  -4.016  38.521  -4.330
  485    H1     G  45           H1         G  45   1.386  40.187  -1.310
  486   1H2     G  45          1H2         G  45   3.033  40.398  -2.769
  487   2H2     G  45          2H2         G  45   2.805  40.153  -4.487
  488   1H5*    G  46          1H5*        G  46   0.206  36.246  -9.185
  489   2H5*    G  46          2H5*        G  46   0.780  34.666  -9.753
  490    H4*    G  46           H4*        G  46   2.634  36.037  -8.912
  491    H3*    G  46           H3*        G  46   1.925  33.530  -7.393
  492    H2*    G  46           H2*        G  46   3.512  33.996  -5.740
  493   2HO*    G  46          2HO*        G  46   4.771  36.091  -7.090
  494    H1*    G  46           H1*        G  46   3.342  36.776  -5.753
  495    H8     G  46           H8         G  46  -0.026  34.945  -5.690
  496    H1     G  46           H1         G  46   2.563  35.924   0.082
  497   1H2     G  46          1H2         G  46   4.631  36.716  -0.144
  498   2H2     G  46          2H2         G  46   5.362  36.998  -1.706
  499   1H5*    A  47          1H5*        A  47   6.281  33.340  -7.820
  500   2H5*    A  47          2H5*        A  47   6.639  31.715  -8.438
  501    H4*    A  47           H4*        A  47   7.976  32.209  -6.445
  502    H3*    A  47           H3*        A  47   5.881  30.052  -6.205
  503    H2*    A  47           H2*        A  47   6.346  29.769  -3.933
  504   2HO*    A  47          2HO*        A  47   8.857  30.360  -4.754
  505    H1*    A  47           H1*        A  47   7.032  32.406  -3.312
  506    H8     A  47           H8         A  47   3.787  31.858  -5.309
  507   1H6     A  47          1H6         A  47   0.957  31.703   0.179
  508   2H6     A  47          2H6         A  47   0.732  31.711  -1.556
  509    H2     A  47           H2         A  47   5.389  31.851   0.914
  510   1H5*    U  48          1H5*        U  48   8.937  28.229  -4.205
  511   2H5*    U  48          2H5*        U  48   9.045  26.537  -4.732
  512    H4*    U  48           H4*        U  48   8.556  26.734  -2.318
  513    H3*    U  48           H3*        U  48   6.480  25.471  -4.107
  514    H2*    U  48           H2*        U  48   4.969  25.307  -2.348
  515   2HO*    U  48          2HO*        U  48   5.735  25.301  -0.129
  516    H1*    U  48           H1*        U  48   5.942  27.457  -0.763
  517    H3     U  48           H3         U  48   1.607  28.602  -1.103
  518    H5     U  48           H5         U  48   3.021  28.903  -5.064
  519    H6     U  48           H6         U  48   5.134  27.980  -4.307
  520   1H5*    A  49          1H5*        A  49   8.827  23.768  -0.978
  521   2H5*    A  49          2H5*        A  49   9.522  22.139  -1.104
  522    H4*    A  49           H4*        A  49   8.956  23.201   1.247
  523    H3*    A  49           H3*        A  49   9.294  20.536   0.391
  524    H2*    A  49           H2*        A  49   7.100  19.798   0.554
  525   2HO*    A  49          2HO*        A  49   8.080  19.964   3.187
  526    H1*    A  49           H1*        A  49   6.323  21.774   2.663
  527    H8     A  49           H8         A  49   5.435  21.374  -1.109
  528   1H6     A  49          1H6         A  49  -0.319  20.383   0.909
  529   2H6     A  49          2H6         A  49   0.699  20.557  -0.503
  530    H2     A  49           H2         A  49   2.340  20.852   4.497
  531   1H5*    U  50          1H5*        U  50   9.583  21.385   6.082
  532   2H5*    U  50          2H5*        U  50   8.849  19.768   6.142
  533    H4*    U  50           H4*        U  50   7.989  21.319   7.896
  534    H3*    U  50           H3*        U  50   6.449  19.562   6.403
  535    H2*    U  50           H2*        U  50   5.453  21.093   4.937
  536   2HO*    U  50          2HO*        U  50   3.864  21.947   7.087
  537    H1*    U  50           H1*        U  50   5.350  23.288   6.976
  538    H3     U  50           H3         U  50   7.366  26.124   3.539
  539    H5     U  50           H5         U  50   3.970  24.025   2.188
  540    H6     U  50           H6         U  50   4.108  22.647   4.181
  541   1H5*    G  51          1H5*        G  51   3.488  17.191   7.474
  542   2H5*    G  51          2H5*        G  51   4.310  17.471   5.926
  543    H4*    G  51           H4*        G  51   1.422  18.114   6.605
  544    H3*    G  51           H3*        G  51   2.732  15.914   5.059
  545    H2*    G  51           H2*        G  51   1.396  16.176   3.178
  546   2HO*    G  51          2HO*        G  51  -0.568  16.031   4.397
  547    H1*    G  51           H1*        G  51   0.878  18.892   3.275
  548    H8     G  51           H8         G  51   4.523  18.752   3.778
  549    H1     G  51           H1         G  51   2.947  17.311  -2.256
  550   1H2     G  51          1H2         G  51   0.773  16.899  -2.394
  551   2H2     G  51          2H2         G  51  -0.289  16.979  -1.008
  552   1H5*    G  52          1H5*        G  52   1.731  11.793   5.239
  553   2H5*    G  52          2H5*        G  52   3.152  12.277   4.290
  554    H4*    G  52           H4*        G  52   0.310  11.923   3.449
  555    H3*    G  52           H3*        G  52   3.031  11.276   2.341
  556    H2*    G  52           H2*        G  52   2.332  11.624   0.125
  557   2HO*    G  52          2HO*        G  52   0.348  11.230  -0.531
  558    H1*    G  52           H1*        G  52   0.723  13.793   0.503
  559    H8     G  52           H8         G  52   3.394  14.729   2.811
  560    H1     G  52           H1         G  52   5.501  14.872  -3.233
  561   1H2     G  52          1H2         G  52   4.053  13.829  -4.564
  562   2H2     G  52          2H2         G  52   2.582  13.101  -3.964
  563   1H5*    A  53          1H5*        A  53   0.876   7.836   0.824
  564   2H5*    A  53          2H5*        A  53   1.907   6.391   0.862
  565    H4*    A  53           H4*        A  53   1.360   7.348  -1.441
  566    H3*    A  53           H3*        A  53   4.186   6.819  -0.518
  567    H2*    A  53           H2*        A  53   5.047   7.707  -2.502
  568   2HO*    A  53          2HO*        A  53   4.137   7.224  -4.329
  569    H1*    A  53           H1*        A  53   3.083   9.644  -2.972
  570    H8     A  53           H8         A  53   4.014  10.278   0.528
  571   1H6     A  53          1H6         A  53   9.249  12.894  -1.465
  572   2H6     A  53          2H6         A  53   8.192  12.661  -0.089
  573    H2     A  53           H2         A  53   7.395  10.703  -4.919
  574   1H5*    A  54          1H5*        A  54   3.811   5.174  -4.254
  575   2H5*    A  54          2H5*        A  54   4.171   3.438  -4.344
  576    H4*    A  54           H4*        A  54   5.351   4.493  -6.134
  577    H3*    A  54           H3*        A  54   7.135   3.717  -3.824
  578    H2*    A  54           H2*        A  54   8.996   4.683  -4.887
  579   2HO*    A  54          2HO*        A  54   7.971   5.368  -7.304
  580    H1*    A  54           H1*        A  54   7.737   6.858  -6.023
  581    H8     A  54           H8         A  54   6.617   6.185  -2.424
  582   1H6     A  54          1H6         A  54  11.306   9.832  -0.715
  583   2H6     A  54          2H6         A  54   9.894   8.955  -0.170
  584    H2     A  54           H2         A  54  11.667   9.094  -5.133
  585   1H5*    G  55          1H5*        G  55   9.085   1.600  -7.294
  586   2H5*    G  55          2H5*        G  55   9.785   0.121  -6.608
  587    H4*    G  55           H4*        G  55  11.444   1.685  -7.682
  588    H3*    G  55           H3*        G  55  11.740   0.929  -4.764
  589    H2*    G  55           H2*        G  55  13.700   2.239  -4.652
  590   2HO*    G  55          2HO*        G  55  13.941   1.478  -7.220
  591    H1*    G  55           H1*        G  55  12.842   4.299  -6.290
  592    H8     G  55           H8         G  55  10.147   3.195  -3.829
  593    H1     G  55           H1         G  55  14.441   7.225  -1.332
  594   1H2     G  55          1H2         G  55  16.135   7.500  -2.742
  595   2H2     G  55          2H2         G  55  16.201   6.697  -4.294
  596   1H5*    A  56          1H5*        A  56  15.256   0.303  -6.479
  597   2H5*    A  56          2H5*        A  56  16.046  -1.266  -6.224
  598    H4*    A  56           H4*        A  56  17.604   0.486  -5.649
  599    H3*    A  56           H3*        A  56  16.486  -1.037  -3.293
  600    H2*    A  56           H2*        A  56  17.580   0.365  -1.797
  601   2HO*    A  56          2HO*        A  56  19.402   1.725  -2.709
  602    H1*    A  56           H1*        A  56  17.691   2.691  -3.406
  603    H8     A  56           H8         A  56  14.225   1.177  -2.821
  604   1H6     A  56          1H6         A  56  13.893   4.883   2.104
  605   2H6     A  56          2H6         A  56  13.012   3.782   1.070
  606    H2     A  56           H2         A  56  18.086   5.101   0.489
  607   1H5*    A  57          1H5*        A  57  21.065  -1.130  -2.913
  608   2H5*    A  57          2H5*        A  57  21.401  -2.810  -2.447
  609    H4*    A  57           H4*        A  57  22.544  -1.284  -0.934
  610    H3*    A  57           H3*        A  57  20.220  -2.806   0.260
  611    H2*    A  57           H2*        A  57  20.582  -1.742   2.329
  612   2HO*    A  57          2HO*        A  57  23.000  -0.555   1.497
  613    H1*    A  57           H1*        A  57  21.254   0.758   1.351
  614    H8     A  57           H8         A  57  18.304  -1.068  -0.336
  615   1H6     A  57          1H6         A  57  14.721   1.950   3.684
  616   2H6     A  57          2H6         A  57  14.747   0.903   2.284
  617    H2     A  57           H2         A  57  19.009   2.776   4.765
  618   1H5*    C  58          1H5*        C  58  23.025  -3.466   3.138
  619   2H5*    C  58          2H5*        C  58  23.111  -5.192   3.544
  620    H4*    C  58           H4*        C  58  22.617  -3.966   5.556
  621    H3*    C  58           H3*        C  58  20.222  -5.457   4.454
  622    H2*    C  58           H2*        C  58  18.918  -4.623   6.202
  623   2HO*    C  58          2HO*        C  58  21.387  -4.418   7.573
  624    H1*    C  58           H1*        C  58  20.353  -2.202   6.599
  625   1H4     C  58          1H4         C  58  14.742  -0.352   4.258
  626   2H4     C  58          2H4         C  58  15.112  -1.070   2.706
  627    H5     C  58           H5         C  58  17.126  -2.318   2.273
  628    H6     C  58           H6         C  58  19.208  -3.175   3.241
  629   1H5*    C  59          1H5*        C  59  20.607  -5.913   8.504
  630   2H5*    C  59          2H5*        C  59  20.258  -7.540   9.124
  631    H4*    C  59           H4*        C  59  18.907  -5.819  10.258
  632    H3*    C  59           H3*        C  59  17.433  -7.815   8.528
  633    H2*    C  59           H2*        C  59  15.418  -6.747   8.994
  634   2HO*    C  59          2HO*        C  59  15.007  -5.706  10.889
  635    H1*    C  59           H1*        C  59  16.467  -4.145   9.440
  636   1H4     C  59          1H4         C  59  13.032  -3.673   4.113
  637   2H4     C  59          2H4         C  59  14.153  -4.706   3.250
  638    H5     C  59           H5         C  59  16.069  -5.739   4.291
  639    H6     C  59           H6         C  59  17.289  -6.051   6.395
  640   1H5*    G  60          1H5*        G  60  16.288  -7.846  13.176
  641   2H5*    G  60          2H5*        G  60  15.845  -9.538  13.480
  642    H4*    G  60           H4*        G  60  14.268  -8.001  14.562
  643    H3*    G  60           H3*        G  60  13.195  -9.666  12.275
  644    H2*    G  60           H2*        G  60  11.080  -8.672  12.537
  645   2HO*    G  60          2HO*        G  60  11.633  -7.237  14.846
  646    H1*    G  60           H1*        G  60  11.938  -6.112  13.147
  647    H8     G  60           H8         G  60  13.943  -7.635  10.302
  648    H1     G  60           H1         G  60   8.384  -5.068   8.433
  649   1H2     G  60          1H2         G  60   7.162  -4.532  10.206
  650   2H2     G  60          2H2         G  60   7.713  -4.804  11.844
  651   1H5*    G  61          1H5*        G  61  10.116  -9.268  14.677
  652   2H5*    G  61          2H5*        G  61   9.887 -10.807  15.529
  653    H4*    G  61           H4*        G  61   7.709 -10.210  14.961
  654    H3*    G  61           H3*        G  61   8.791 -12.033  12.806
  655    H2*    G  61           H2*        G  61   6.868 -11.725  11.532
  656   2HO*    G  61          2HO*        G  61   5.704 -11.580  14.030
  657    H1*    G  61           H1*        G  61   6.171  -9.144  12.486
  658    H8     G  61           H8         G  61   9.668  -9.363  11.026
  659    H1     G  61           H1         G  61   5.116  -8.534   6.607
  660   1H2     G  61          1H2         G  61   3.109  -8.758   7.531
  661   2H2     G  61          2H2         G  61   2.891  -9.116   9.228
  662   1H5*    G  62          1H5*        G  62   4.735 -12.854  13.246
  663   2H5*    G  62          2H5*        G  62   4.575 -14.560  13.707
  664    H4*    G  62           H4*        G  62   3.019 -14.122  11.929
  665    H3*    G  62           H3*        G  62   5.428 -15.741  11.105
  666    H2*    G  62           H2*        G  62   4.803 -15.673   8.870
  667   2HO*    G  62          2HO*        G  62   2.758 -15.846   8.227
  668    H1*    G  62           H1*        G  62   3.289 -13.268   8.924
  669    H8     G  62           H8         G  62   6.985 -13.299  10.018
  670    H1     G  62           H1         G  62   6.039 -11.960   3.832
  671   1H2     G  62          1H2         G  62   3.895 -12.207   3.318
  672   2H2     G  62          2H2         G  62   2.698 -12.698   4.495
  673   1H5*    G  63          1H5*        G  63   5.135 -20.082  10.451
  674   2H5*    G  63          2H5*        G  63   6.565 -19.323   9.725
  675    H4*    G  63           H4*        G  63   3.716 -19.344   8.784
  676    H3*    G  63           H3*        G  63   6.405 -19.960   7.623
  677    H2*    G  63           H2*        G  63   5.973 -18.907   5.577
  678   2HO*    G  63          2HO*        G  63   4.080 -19.520   4.830
  679    H1*    G  63           H1*        G  63   4.562 -16.744   6.427
  680    H8     G  63           H8         G  63   7.019 -16.945   9.154
  681    H1     G  63           H1         G  63   9.853 -15.290   3.659
  682   1H2     G  63          1H2         G  63   8.469 -15.607   1.967
  683   2H2     G  63          2H2         G  63   6.851 -16.231   2.182
  684   1H5*    A  64          1H5*        A  64   7.437 -24.060   6.980
  685   2H5*    A  64          2H5*        A  64   8.232 -22.513   6.628
  686    H4*    A  64           H4*        A  64   8.732 -24.531   5.091
  687    H3*    A  64           H3*        A  64   8.164 -21.724   4.254
  688    H2*    A  64           H2*        A  64   7.769 -22.236   2.010
  689   2HO*    A  64          2HO*        A  64   9.424 -23.402   1.322
  690    H1*    A  64           H1*        A  64   6.553 -24.671   2.229
  691    H8     A  64           H8         A  64   5.443 -22.260   4.983
  692   1H6     A  64          1H6         A  64   0.991 -20.480   1.106
  693   2H6     A  64          2H6         A  64   1.613 -20.363   2.736
  694    H2     A  64           H2         A  64   3.780 -23.187  -1.154
  695   1H5*    A  65          1H5*        A  65  11.112 -19.885   1.251
  696   2H5*    A  65          2H5*        A  65   9.909 -18.804   1.983
  697    H4*    A  65           H4*        A  65   9.823 -20.307  -0.550
  698    H3*    A  65           H3*        A  65   8.623 -17.783   0.554
  699    H2*    A  65           H2*        A  65   6.679 -17.984  -0.717
  700   2HO*    A  65          2HO*        A  65   6.611 -19.399  -2.571
  701    H1*    A  65           H1*        A  65   6.413 -20.731  -0.762
  702    H8     A  65           H8         A  65   7.094 -20.304   2.787
  703   1H6     A  65          1H6         A  65   1.419 -17.982   3.523
  704   2H6     A  65          2H6         A  65   2.822 -18.636   4.338
  705    H2     A  65           H2         A  65   2.346 -18.001  -0.876
  706   1H5*    A  66          1H5*        A  66   8.912 -15.538  -4.385
  707   2H5*    A  66          2H5*        A  66   8.724 -14.289  -3.139
  708    H4*    A  66           H4*        A  66   6.872 -14.992  -5.118
  709    H3*    A  66           H3*        A  66   6.850 -13.208  -2.717
  710    H2*    A  66           H2*        A  66   4.519 -13.221  -2.490
  711   2HO*    A  66          2HO*        A  66   3.140 -13.586  -4.154
  712    H1*    A  66           H1*        A  66   3.970 -15.801  -3.140
  713    H8     A  66           H8         A  66   7.247 -15.467  -1.186
  714   1H6     A  66          1H6         A  66   3.816 -16.103   3.909
  715   2H6     A  66          2H6         A  66   5.447 -16.028   3.276
  716    H2     A  66           H2         A  66   1.026 -15.710   0.398
  717   1H5*    C  67          1H5*        C  67   4.697 -11.104  -5.096
  718   2H5*    C  67          2H5*        C  67   4.709  -9.331  -4.997
  719    H4*    C  67           H4*        C  67   2.791 -10.444  -3.804
  720    H3*    C  67           H3*        C  67   4.711  -8.654  -2.305
  721    H2*    C  67           H2*        C  67   3.565  -9.061  -0.303
  722   2HO*    C  67          2HO*        C  67   1.433  -9.265  -1.997
  723    H1*    C  67           H1*        C  67   2.831 -11.708  -0.801
  724   1H4     C  67          1H4         C  67   7.734 -11.953   3.268
  725   2H4     C  67          2H4         C  67   8.858 -11.667   1.959
  726    H5     C  67           H5         C  67   8.162 -11.234  -0.307
  727    H6     C  67           H6         C  67   6.238 -10.940  -1.798
  728   1H5*    U  68          1H5*        U  68   1.340  -7.948  -0.768
  729   2H5*    U  68          2H5*        U  68   0.778  -6.266  -0.828
  730    H4*    U  68           H4*        U  68   0.602  -7.013   1.443
  731    H3*    U  68           H3*        U  68   2.947  -5.157   0.985
  732    H2*    U  68           H2*        U  68   3.548  -5.358   3.245
  733   2HO*    U  68          2HO*        U  68   1.993  -6.293   4.773
  734    H1*    U  68           H1*        U  68   2.725  -8.014   3.614
  735    H3     U  68           H3         U  68   7.156  -8.262   4.457
  736    H5     U  68           H5         U  68   6.952  -7.583   0.301
  737    H6     U  68           H6         U  68   4.555  -7.286   0.533
  738   1H5*    U  69          1H5*        U  69   1.204  -4.366   4.185
  739   2H5*    U  69          2H5*        U  69   0.487  -2.781   4.529
  740    H4*    U  69           H4*        U  69   1.688  -3.251   6.476
  741    H3*    U  69           H3*        U  69   3.482  -1.611   4.665
  742    H2*    U  69           H2*        U  69   5.168  -1.765   6.266
  743   2HO*    U  69          2HO*        U  69   4.791  -1.949   8.427
  744    H1*    U  69           H1*        U  69   4.389  -4.272   7.354
  745    H3     U  69           H3         U  69   8.665  -5.176   6.262
  746    H5     U  69           H5         U  69   6.886  -4.273   2.554
  747    H6     U  69           H6         U  69   4.850  -3.706   3.739
  748   1H5*    G  70          1H5*        G  70   3.496  -0.362   8.475
  749   2H5*    G  70          2H5*        G  70   3.768   1.360   8.803
  750    H4*    G  70           H4*        G  70   5.483  -0.024   9.872
  751    H3*    G  70           H3*        G  70   6.479   1.678   7.564
  752    H2*    G  70           H2*        G  70   8.626   0.857   7.980
  753   2HO*    G  70          2HO*        G  70   9.344   0.301   9.967
  754    H1*    G  70           H1*        G  70   7.798  -1.643   9.073
  755    H8     G  70           H8         G  70   6.822  -0.608   5.475
  756    H1     G  70           H1         G  70  12.261  -3.945   6.009
  757   1H2     G  70          1H2         G  70  12.751  -4.239   8.156
  758   2H2     G  70          2H2         G  70  11.741  -3.614   9.441
  759   1H5*    G  71          1H5*        G  71   8.197   3.219  11.783
  760   2H5*    G  71          2H5*        G  71   8.641   4.909  11.472
  761    H4*    G  71           H4*        G  71  10.428   3.575  12.611
  762    H3*    G  71           H3*        G  71  10.976   4.832   9.918
  763    H2*    G  71           H2*        G  71  13.144   3.924   9.914
  764   2HO*    G  71          2HO*        G  71  13.845   2.848  12.010
  765    H1*    G  71           H1*        G  71  12.557   1.499  11.096
  766    H8     G  71           H8         G  71   9.955   2.500   8.502
  767    H1     G  71           H1         G  71  15.179  -0.201   5.975
  768   1H2     G  71          1H2         G  71  16.725  -0.472   7.549
  769   2H2     G  71          2H2         G  71  16.482   0.034   9.205
  770   1H5*    U  72          1H5*        U  72  14.401   6.471  12.160
  771   2H5*    U  72          2H5*        U  72  14.261   8.223  11.913
  772    H4*    U  72           H4*        U  72  16.486   7.587  11.297
  773    H3*    U  72           H3*        U  72  14.721   8.129   8.901
  774    H2*    U  72           H2*        U  72  16.470   7.549   7.462
  775   2HO*    U  72          2HO*        U  72  18.345   8.376   7.890
  776    H1*    U  72           H1*        U  72  17.694   5.611   9.075
  777    H3     U  72           H3         U  72  16.530   3.276   5.374
  778    H5     U  72           H5         U  72  12.844   4.176   7.215
  779    H6     U  72           H6         U  72  14.055   5.545   8.812
  780   1H5*    U  73          1H5*        U  73  18.743  10.199   8.502
  781   2H5*    U  73          2H5*        U  73  18.364  11.797   7.829
  782    H4*    U  73           H4*        U  73  20.171  10.653   6.584
  783    H3*    U  73           H3*        U  73  17.577  11.185   5.116
  784    H2*    U  73           H2*        U  73  18.497  10.211   3.173
  785   2HO*    U  73          2HO*        U  73  20.606  10.141   2.759
  786    H1*    U  73           H1*        U  73  19.825   8.137   4.408
  787    H3     U  73           H3         U  73  16.486   6.011   2.245
  788    H5     U  73           H5         U  73  14.530   8.007   5.403
  789    H6     U  73           H6         U  73  16.638   9.085   5.936
  790   1H5*    C  74          1H5*        C  74  20.712  12.399   2.451
  791   2H5*    C  74          2H5*        C  74  20.140  13.798   1.522
  792    H4*    C  74           H4*        C  74  20.781  11.791   0.142
  793    H3*    C  74           H3*        C  74  17.947  12.859  -0.034
  794    H2*    C  74           H2*        C  74  17.510  11.223  -1.680
  795   2HO*    C  74          2HO*        C  74  20.332  10.910  -1.905
  796    H1*    C  74           H1*        C  74  19.112   9.210  -0.579
  797   1H4     C  74          1H4         C  74  13.190   7.520   0.978
  798   2H4     C  74          2H4         C  74  13.126   8.766   2.206
  799    H5     C  74           H5         C  74  14.890  10.370   2.552
  800    H6     C  74           H6         C  74  17.092  11.134   1.787
  801   1H5*    U  75          1H5*        U  75  19.626  13.398  -3.741
  802   2H5*    U  75          2H5*        U  75  18.975  14.615  -4.857
  803    H4*    U  75           H4*        U  75  18.399  12.265  -5.485
  804    H3*    U  75           H3*        U  75  16.156  14.191  -4.819
  805    H2*    U  75           H2*        U  75  14.604  12.493  -5.211
  806   2HO*    U  75          2HO*        U  75  14.837  11.432  -7.000
  807    H1*    U  75           H1*        U  75  16.276  10.315  -4.495
  808    H3     U  75           H3         U  75  12.550   9.777  -1.977
  809    H5     U  75           H5         U  75  14.585  12.988  -0.164
  810    H6     U  75           H6         U  75  16.132  12.975  -2.036
  811   1H5*    U  76          1H5*        U  76  15.604  12.921  -8.767
  812   2H5*    U  76          2H5*        U  76  15.202  14.164  -9.969
  813    H4*    U  76           H4*        U  76  13.534  12.421 -10.074
  814    H3*    U  76           H3*        U  76  12.609  15.023  -8.868
  815    H2*    U  76           H2*        U  76  10.567  14.123  -8.242
  816   2HO*    U  76          2HO*        U  76  10.317  13.384 -10.540
  817    H1*    U  76           H1*        U  76  11.332  11.397  -8.038
  818    H3     U  76           H3         U  76   9.437  12.106  -4.004
  819    H5     U  76           H5         U  76  12.929  14.459  -3.905
  820    H6     U  76           H6         U  76  13.284  13.915  -6.243
  821   1H5*    C  77          1H5*        C  77   8.498  16.017 -11.852
  822   2H5*    C  77          2H5*        C  77   8.578  16.671 -10.203
  823    H4*    C  77           H4*        C  77   7.064  14.297 -11.252
  824    H3*    C  77           H3*        C  77   6.432  16.732  -9.610
  825    H2*    C  77           H2*        C  77   5.005  15.569  -8.185
  826   2HO*    C  77          2HO*        C  77   3.902  13.735  -8.793
  827    H1*    C  77           H1*        C  77   6.222  13.066  -8.224
  828   1H4     C  77          1H4         C  77   7.744  15.796  -2.656
  829   2H4     C  77          2H4         C  77   9.184  16.455  -3.398
  830    H5     C  77           H5         C  77   9.651  16.282  -5.753
  831    H6     C  77           H6         C  77   8.842  15.436  -7.906
  832   1H5*    C  78          1H5*        C  78   1.398  16.174 -11.129
  833   2H5*    C  78          2H5*        C  78   1.589  17.922 -10.882
  834    H4*    C  78           H4*        C  78  -0.034  16.288  -9.393
  835    H3*    C  78           H3*        C  78   1.218  18.965  -8.814
  836    H2*    C  78           H2*        C  78   0.735  18.815  -6.548
  837   2HO*    C  78          2HO*        C  78  -1.048  16.778  -6.437
  838    H1*    C  78           H1*        C  78   0.691  15.996  -6.290
  839   1H4     C  78          1H4         C  78   5.840  17.933  -3.074
  840   2H4     C  78          2H4         C  78   6.724  18.095  -4.575
  841    H5     C  78           H5         C  78   5.718  17.791  -6.740
  842    H6     C  78           H6         C  78   3.645  17.271  -7.939
  843   1H5*    U  79          1H5*        U  79  -3.186  22.298  -8.160
  844   2H5*    U  79          2H5*        U  79  -1.487  22.105  -7.683
  845    H4*    U  79           H4*        U  79  -3.910  20.959  -6.253
  846    H3*    U  79           H3*        U  79  -2.122  23.314  -5.705
  847    H2*    U  79           H2*        U  79  -1.894  22.769  -3.456
  848   2HO*    U  79          2HO*        U  79  -4.096  22.664  -2.980
  849    H1*    U  79           H1*        U  79  -2.151  19.984  -3.634
  850    H3     U  79           H3         U  79   1.885  21.140  -1.720
  851    H5     U  79           H5         U  79   2.514  21.111  -5.889
  852    H6     U  79           H6         U  79   0.114  20.895  -6.182
  853   1H5*    A  80          1H5*        A  80  -6.091  24.337  -1.977
  854   2H5*    A  80          2H5*        A  80  -6.676  24.635  -3.626
  855    H4*    A  80           H4*        A  80  -4.508  25.189  -4.412
  856    H3*    A  80           H3*        A  80  -4.982  27.190  -3.335
  857    H2*    A  80           H2*        A  80  -2.643  27.208  -3.230
  858   2HO*    A  80          2HO*        A  80  -3.767  27.503  -0.763
  859    H1*    A  80           H1*        A  80  -2.371  25.025  -1.231
  860    H8     A  80           H8         A  80  -1.746  25.376  -5.068
  861   1H6     A  80          1H6         A  80   4.143  24.154  -3.662
  862   2H6     A  80          2H6         A  80   3.007  24.462  -4.956
  863    H2     A  80           H2         A  80   1.806  24.289   0.175
  864   1H5*    A  81          1H5*        A  81  -7.992  27.424   1.050
  865   2H5*    A  81          2H5*        A  81  -7.230  28.904   1.666
  866    H4*    A  81           H4*        A  81  -7.842  26.972   3.319
  867    H3*    A  81           H3*        A  81  -5.370  28.660   3.288
  868    H2*    A  81           H2*        A  81  -4.189  27.287   4.729
  869   2HO*    A  81          2HO*        A  81  -5.085  26.479   6.476
  870    H1*    A  81           H1*        A  81  -5.469  24.828   4.252
  871    H8     A  81           H8         A  81  -4.409  25.748   0.893
  872   1H6     A  81          1H6         A  81   1.401  24.286   2.390
  873   2H6     A  81          2H6         A  81   0.300  24.641   1.078
  874    H2     A  81           H2         A  81  -0.982  24.547   6.193
  875   1H5*    G  82          1H5*        G  82  -4.244  30.760   7.205
  876   2H5*    G  82          2H5*        G  82  -3.235  30.654   5.748
  877    H4*    G  82           H4*        G  82  -3.114  29.037   8.281
  878    H3*    G  82           H3*        G  82  -1.284  30.820   6.780
  879    H2*    G  82           H2*        G  82   0.513  29.352   6.620
  880   2HO*    G  82          2HO*        G  82   1.035  28.574   8.509
  881    H1*    G  82           H1*        G  82  -0.725  26.932   6.441
  882    H8     G  82           H8         G  82  -2.903  29.030   4.301
  883    H1     G  82           H1         G  82   2.724  27.835   1.493
  884   1H2     G  82          1H2         G  82   4.149  26.995   2.972
  885   2H2     G  82          2H2         G  82   3.719  26.734   4.647
  886   1H5*    U  83          1H5*        U  83   1.618  30.384   9.320
  887   2H5*    U  83          2H5*        U  83   1.811  31.879  10.259
  888    H4*    U  83           H4*        U  83   3.905  31.535   9.233
  889    H3*    U  83           H3*        U  83   2.259  33.572   7.737
  890    H2*    U  83           H2*        U  83   3.871  33.732   6.044
  891   2HO*    U  83          2HO*        U  83   5.685  32.507   7.870
  892    H1*    U  83           H1*        U  83   4.727  31.092   6.020
  893    H3     U  83           H3         U  83   2.823  31.629   1.941
  894    H5     U  83           H5         U  83  -0.445  31.399   4.594
  895    H6     U  83           H6         U  83   1.133  31.449   6.438
  896   1H5*    C  84          1H5*        C  84   5.637  34.934   7.809
  897   2H5*    C  84          2H5*        C  84   6.127  36.500   8.489
  898    H4*    C  84           H4*        C  84   6.925  36.561   6.280
  899    H3*    C  84           H3*        C  84   4.283  38.004   6.500
  900    H2*    C  84           H2*        C  84   4.174  38.296   4.201
  901   2HO*    C  84          2HO*        C  84   6.912  37.767   3.791
  902    H1*    C  84           H1*        C  84   5.756  36.066   3.425
  903   1H4     C  84          1H4         C  84  -0.075  34.675   1.330
  904   2H4     C  84          2H4         C  84  -0.668  34.514   2.969
  905    H5     C  84           H5         C  84   0.683  34.960   4.912
  906    H6     C  84           H6         C  84   2.895  35.659   5.707
  907   1H5*    C  85          1H5*        C  85   7.474  39.679   4.218
  908   2H5*    C  85          2H5*        C  85   7.871  41.340   4.704
  909    H4*    C  85           H4*        C  85   8.123  41.297   2.352
  910    H3*    C  85           H3*        C  85   5.506  42.547   3.180
  911    H2*    C  85           H2*        C  85   4.829  42.762   0.941
  912   2HO*    C  85          2HO*        C  85   7.596  42.567   0.409
  913    H1*    C  85           H1*        C  85   5.867  40.406  -0.038
  914   1H4     C  85          1H4         C  85  -0.211  38.977   1.203
  915   2H4     C  85          2H4         C  85   0.106  38.992   2.922
  916    H5     C  85           H5         C  85   2.235  39.584   3.867
  917    H6     C  85           H6         C  85   4.526  40.298   3.373
  918   1H5*    U  86          1H5*        U  86   6.689  44.215  -0.188
  919   2H5*    U  86          2H5*        U  86   6.712  45.990  -0.150
  920    H4*    U  86           H4*        U  86   5.403  45.117  -2.051
  921    H3*    U  86           H3*        U  86   4.020  46.723   0.072
  922    H2*    U  86           H2*        U  86   1.940  46.083  -0.612
  923   2HO*    U  86          2HO*        U  86   2.945  47.019  -2.905
  924    H1*    U  86           H1*        U  86   2.849  44.030  -2.516
  925    H3     U  86           H3         U  86  -1.060  42.172  -1.290
  926    H5     U  86           H5         U  86   1.110  42.394   2.320
  927    H6     U  86           H6         U  86   2.827  43.625   1.126
  928    H3T    U  86           H3T        U  86   4.986  47.012  -2.541
  929   1HO1  MN6 101          1HO1      MN6 101  -0.472 -43.789   0.231
  930   2HO1  MN6 101          2HO1      MN6 101  -1.219 -42.568   0.868
  931   1HO2  MN6 101          1HO2      MN6 101  -0.124 -40.036  -2.978
  932   2HO2  MN6 101          2HO2      MN6 101   1.267 -39.769  -2.305
  933   1HO3  MN6 101          1HO3      MN6 101  -1.764 -40.631   0.122
  934   2HO3  MN6 101          2HO3      MN6 101  -1.448 -39.745  -1.133
  935   1HO4  MN6 101          1HO4      MN6 101   2.131 -42.893  -1.956
  936   2HO4  MN6 101          2HO4      MN6 101   2.050 -43.088  -0.403
  937   1HO5  MN6 101          1HO5      MN6 101   1.565 -39.771  -0.092
  938   2HO5  MN6 101          2HO5      MN6 101   1.158 -40.740   1.072
  939   1HO6  MN6 101          1HO6      MN6 101  -0.106 -43.330  -2.869
  940   2HO6  MN6 101          2HO6      MN6 101  -1.240 -43.524  -1.803
  941   1HO1  MN6 102          1HO1      MN6 102   6.143 -30.849  -7.007
  942   2HO1  MN6 102          2HO1      MN6 102   4.873 -30.078  -6.509
  943   1HO2  MN6 102          1HO2      MN6 102   4.910 -29.477 -11.436
  944   2HO2  MN6 102          2HO2      MN6 102   3.757 -30.537 -11.381
  945   1HO3  MN6 102          1HO3      MN6 102   4.438 -27.781  -8.890
  946   2HO3  MN6 102          2HO3      MN6 102   3.094 -28.447  -8.438
  947   1HO4  MN6 102          1HO4      MN6 102   4.160 -32.632  -9.534
  948   2HO4  MN6 102          2HO4      MN6 102   5.249 -32.159 -10.558
  949   1HO5  MN6 102          1HO5      MN6 102   2.733 -31.444  -7.883
  950   2HO5  MN6 102          2HO5      MN6 102   2.299 -31.169  -9.364
  951   1HO6  MN6 102          1HO6      MN6 102   7.121 -30.235  -9.189
  952   2HO6  MN6 102          2HO6      MN6 102   6.603 -28.832  -8.717
  953   1HO1  MN6 103          1HO1      MN6 103  -9.506 -15.987  -0.343
  954   2HO1  MN6 103          2HO1      MN6 103  -8.558 -15.644  -1.544
  955   1HO2  MN6 103          1HO2      MN6 103  -5.539 -14.562   2.305
  956   2HO2  MN6 103          2HO2      MN6 103  -6.722 -13.593   2.652
  957   1HO3  MN6 103          1HO3      MN6 103  -5.767 -16.871   0.429
  958   2HO3  MN6 103          2HO3      MN6 103  -6.042 -16.621   1.951
  959   1HO4  MN6 103          1HO4      MN6 103  -8.099 -12.714  -0.138
  960   2HO4  MN6 103          2HO4      MN6 103  -8.638 -12.946   1.317
  961   1HO5  MN6 103          1HO5      MN6 103  -9.133 -14.835   2.501
  962   2HO5  MN6 103          2HO5      MN6 103  -8.068 -15.916   2.899
  963   1HO6  MN6 103          1HO6      MN6 103  -6.014 -13.692  -0.957
  964   2HO6  MN6 103          2HO6      MN6 103  -6.435 -15.057  -1.602
  965   1HO1  MN6 104          1HO1      MN6 104 -11.542  -2.123   1.466
  966   2HO1  MN6 104          2HO1      MN6 104 -11.147  -0.646   1.124
  967   1HO2  MN6 104          1HO2      MN6 104  -7.706  -2.882  -1.712
  968   2HO2  MN6 104          2HO2      MN6 104  -6.992  -2.279  -0.454
  969   1HO3  MN6 104          1HO3      MN6 104  -9.121  -4.411   1.124
  970   2HO3  MN6 104          2HO3      MN6 104  -8.753  -3.260   2.122
  971   1HO4  MN6 104          1HO4      MN6 104  -8.888   0.043  -0.846
  972   2HO4  MN6 104          2HO4      MN6 104 -10.280  -0.356  -1.448
  973   1HO5  MN6 104          1HO5      MN6 104  -8.940  -0.191   1.459
  974   2HO5  MN6 104          2HO5      MN6 104  -7.585  -0.905   1.129
  975   1HO6  MN6 104          1HO6      MN6 104  -9.845  -4.204  -1.369
  976   2HO6  MN6 104          2HO6      MN6 104 -11.181  -3.806  -0.650
  977   1HO1  MN6 105          1HO1      MN6 105 -12.764  11.545   3.582
  978   2HO1  MN6 105          2HO1      MN6 105 -13.209  12.979   4.032
  979   1HO2  MN6 105          1HO2      MN6 105 -10.287  11.955   7.947
  980   2HO2  MN6 105          2HO2      MN6 105 -11.781  11.895   8.416
  981   1HO3  MN6 105          1HO3      MN6 105 -12.105   9.770   4.745
  982   2HO3  MN6 105          2HO3      MN6 105 -13.278   9.977   5.764
  983   1HO4  MN6 105          1HO4      MN6 105 -11.628  14.056   7.214
  984   2HO4  MN6 105          2HO4      MN6 105 -12.270  14.376   5.820
  985   1HO5  MN6 105          1HO5      MN6 105 -14.280  12.463   5.846
  986   2HO5  MN6 105          2HO5      MN6 105 -13.787  12.710   7.312
  987   1HO6  MN6 105          1HO6      MN6 105  -9.753  10.695   5.466
  988   2HO6  MN6 105          2HO6      MN6 105 -10.050  11.612   4.230
  989   1HO1  MN6 106          1HO1      MN6 106  -5.551  39.958   2.506
  990   2HO1  MN6 106          2HO1      MN6 106  -6.475  39.097   1.577
  991   1HO2  MN6 106          1HO2      MN6 106  -2.740  37.289  -0.747
  992   2HO2  MN6 106          2HO2      MN6 106  -1.921  37.195   0.585
  993   1HO3  MN6 106          1HO3      MN6 106  -5.500  36.958  -0.347
  994   2HO3  MN6 106          2HO3      MN6 106  -5.798  36.666   1.165
  995   1HO4  MN6 106          1HO4      MN6 106  -2.567  39.517   2.710
  996   2HO4  MN6 106          2HO4      MN6 106  -3.460  40.628   2.056
  997   1HO5  MN6 106          1HO5      MN6 106  -4.182  37.385   3.380
  998   2HO5  MN6 106          2HO5      MN6 106  -3.641  36.302   2.386
  999   1HO6  MN6 106          1HO6      MN6 106  -4.786  38.788  -1.228
 1000   2HO6  MN6 106          2HO6      MN6 106  -4.077  40.099  -0.741
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.845  27.595 -10.979
 1002   2HO1  MN6 107          2HO1      MN6 107  -0.660  26.580 -10.820
 1003   1HO2  MN6 107          1HO2      MN6 107   0.134  28.229  -6.359
 1004   2HO2  MN6 107          2HO2      MN6 107  -0.356  29.651  -6.800
 1005   1HO3  MN6 107          1HO3      MN6 107  -2.914  29.042  -7.956
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.206  27.697  -8.707
 1007   1HO4  MN6 107          1HO4      MN6 107   1.486  27.647  -9.723
 1008   2HO4  MN6 107          2HO4      MN6 107   1.600  27.449  -8.172
 1009   1HO5  MN6 107          1HO5      MN6 107   0.266  30.386  -9.308
 1010   2HO5  MN6 107          2HO5      MN6 107  -1.237  30.587  -8.908
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.336  25.746  -8.909
 1012   2HO6  MN6 107          2HO6      MN6 107  -0.326  25.901  -7.719
 1013   1HO1  MN6 108          1HO1      MN6 108   7.555  15.661   0.940
 1014   2HO1  MN6 108          2HO1      MN6 108   7.831  16.805   1.976
 1015   1HO2  MN6 108          1HO2      MN6 108  10.177  13.151   4.173
 1016   2HO2  MN6 108          2HO2      MN6 108   9.226  13.668   5.307
 1017   1HO3  MN6 108          1HO3      MN6 108   6.873  14.835   5.121
 1018   2HO3  MN6 108          2HO3      MN6 108   6.318  13.659   4.247
 1019   1HO4  MN6 108          1HO4      MN6 108  10.469  14.075   1.912
 1020   2HO4  MN6 108          2HO4      MN6 108  10.731  15.260   2.904
 1021   1HO5  MN6 108          1HO5      MN6 108   8.942  15.855   5.279
 1022   2HO5  MN6 108          2HO5      MN6 108   8.030  16.772   4.392
 1023   1HO6  MN6 108          1HO6      MN6 108   7.327  12.446   2.632
 1024   2HO6  MN6 108          2HO6      MN6 108   7.062  13.434   1.443
 1025   1HO1  MN6 109          1HO1      MN6 109   8.948   0.242   3.627
 1026   2HO1  MN6 109          2HO1      MN6 109  10.496  -0.007   3.578
 1027   1HO2  MN6 109          1HO2      MN6 109   9.320   3.941   0.629
 1028   2HO2  MN6 109          2HO2      MN6 109  10.847   4.113   0.942
 1029   1HO3  MN6 109          1HO3      MN6 109   8.498   0.355   1.240
 1030   2HO3  MN6 109          2HO3      MN6 109   7.588   1.473   1.857
 1031   1HO4  MN6 109          1HO4      MN6 109  12.187   1.883   3.301
 1032   2HO4  MN6 109          2HO4      MN6 109  11.660   3.334   3.571
 1033   1HO5  MN6 109          1HO5      MN6 109  11.898   0.833   1.066
 1034   2HO5  MN6 109          2HO5      MN6 109  10.626   0.739   0.154
 1035   1HO6  MN6 109          1HO6      MN6 109   8.238   2.776   3.756
 1036   2HO6  MN6 109          2HO6      MN6 109   9.384   3.844   3.826
 1037   1HO1  MN6 110          1HO1      MN6 110  10.924  -9.226   8.195
 1038   2HO1  MN6 110          2HO1      MN6 110  11.298  -9.945   9.536
 1039   1HO2  MN6 110          1HO2      MN6 110   9.393 -13.968   8.021
 1040   2HO2  MN6 110          2HO2      MN6 110   9.104 -13.365   6.603
 1041   1HO3  MN6 110          1HO3      MN6 110   9.076 -12.662   9.690
 1042   2HO3  MN6 110          2HO3      MN6 110   9.876 -11.443  10.267
 1043   1HO4  MN6 110          1HO4      MN6 110  11.714 -11.435   5.717
 1044   2HO4  MN6 110          2HO4      MN6 110  12.116 -12.836   6.293
 1045   1HO5  MN6 110          1HO5      MN6 110  12.624 -13.038   8.733
 1046   2HO5  MN6 110          2HO5      MN6 110  12.081 -12.146   9.903
 1047   1HO6  MN6 110          1HO6      MN6 110   9.527  -9.881   6.734
 1048   2HO6  MN6 110          2HO6      MN6 110   8.411 -10.760   7.395
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  10.931 -43.268  -3.117
    2   2H5*    G   1          2H5*        G   1  10.551 -41.555  -3.383
    3    H4*    G   1           H4*        G   1  11.022 -42.775  -5.492
    4    H3*    G   1           H3*        G   1   8.427 -41.392  -5.010
    5    H2*    G   1           H2*        G   1   7.283 -42.398  -6.774
    6   2HO*    G   1          2HO*        G   1   8.749 -43.668  -8.350
    7    H1*    G   1           H1*        G   1   8.374 -44.898  -6.763
    8    H8     G   1           H8         G   1   8.050 -44.187  -3.138
    9    H1     G   1           H1         G   1   2.346 -45.255  -5.852
   10   1H2     G   1          1H2         G   1   2.545 -45.235  -8.063
   11   2H2     G   1          2H2         G   1   4.072 -44.956  -8.870
   12    H5T    G   1           H5T        G   1   8.354 -42.073  -3.160
   13   1H5*    G   2          1H5*        G   2   8.184 -41.175  -8.607
   14   2H5*    G   2          2H5*        G   2   8.405 -39.559  -9.308
   15    H4*    G   2           H4*        G   2   6.371 -40.409 -10.207
   16    H3*    G   2           H3*        G   2   5.926 -38.383  -8.016
   17    H2*    G   2           H2*        G   2   3.634 -38.757  -8.036
   18   2HO*    G   2          2HO*        G   2   2.632 -39.721  -9.965
   19    H1*    G   2           H1*        G   2   3.651 -41.424  -9.016
   20    H8     G   2           H8         G   2   5.669 -40.998  -5.840
   21    H1     G   2           H1         G   2  -0.606 -41.782  -4.813
   22   1H2     G   2          1H2         G   2  -1.712 -41.621  -6.722
   23   2H2     G   2          2H2         G   2  -0.911 -41.333  -8.250
   24   1H5*    G   3          1H5*        G   3   3.604 -37.817 -11.068
   25   2H5*    G   3          2H5*        G   3   3.563 -36.315 -12.015
   26    H4*    G   3           H4*        G   3   1.298 -36.859 -11.664
   27    H3*    G   3           H3*        G   3   2.242 -34.756  -9.723
   28    H2*    G   3           H2*        G   3   0.220 -34.806  -8.556
   29   2HO*    G   3          2HO*        G   3  -1.693 -35.305  -9.477
   30    H1*    G   3           H1*        G   3  -0.415 -37.500  -8.899
   31    H8     G   3           H8         G   3   3.163 -36.629  -7.758
   32    H1     G   3           H1         G   3  -1.036 -37.535  -3.010
   33   1H2     G   3          1H2         G   3  -3.075 -37.786  -3.848
   34   2H2     G   3          2H2         G   3  -3.402 -37.726  -5.564
   35   1H5*    A   4          1H5*        A   4  -1.682 -34.117 -11.102
   36   2H5*    A   4          2H5*        A   4  -1.899 -32.485 -11.765
   37    H4*    A   4           H4*        A   4  -3.767 -33.048 -10.309
   38    H3*    A   4           H3*        A   4  -1.887 -30.902  -9.344
   39    H2*    A   4           H2*        A   4  -2.955 -30.760  -7.280
   40   2HO*    A   4          2HO*        A   4  -5.187 -31.676  -8.737
   41    H1*    A   4           H1*        A   4  -3.851 -33.409  -7.056
   42    H8     A   4           H8         A   4  -0.140 -32.740  -7.882
   43   1H6     A   4          1H6         A   4   0.814 -33.196  -1.796
   44   2H6     A   4          2H6         A   4   1.574 -33.024  -3.362
   45    H2     A   4           H2         A   4  -3.620 -33.366  -2.516
   46   1H5*    U   5          1H5*        U   5  -5.852 -29.646  -8.428
   47   2H5*    U   5          2H5*        U   5  -6.002 -27.889  -8.637
   48    H4*    U   5           H4*        U   5  -6.501 -28.754  -6.312
   49    H3*    U   5           H3*        U   5  -4.464 -26.613  -6.857
   50    H2*    U   5           H2*        U   5  -3.650 -26.646  -4.687
   51   2HO*    U   5          2HO*        U   5  -5.040 -27.534  -2.953
   52    H1*    U   5           H1*        U   5  -4.317 -29.300  -3.977
   53    H3     U   5           H3         U   5   0.101 -29.381  -3.143
   54    H5     U   5           H5         U   5  -0.103 -28.796  -7.312
   55    H6     U   5           H6         U   5  -2.512 -28.601  -7.101
   56   1H5*    A   6          1H5*        A   6  -8.487 -22.333  -5.593
   57   2H5*    A   6          2H5*        A   6  -6.720 -22.167  -5.549
   58    H4*    A   6           H4*        A   6  -8.285 -23.483  -3.317
   59    H3*    A   6           H3*        A   6  -8.403 -20.702  -3.919
   60    H2*    A   6           H2*        A   6  -6.341 -20.075  -3.063
   61   2HO*    A   6          2HO*        A   6  -7.574 -19.280  -1.405
   62    H1*    A   6           H1*        A   6  -6.187 -22.405  -1.178
   63    H8     A   6           H8         A   6  -4.229 -21.358  -4.376
   64   1H6     A   6          1H6         A   6   0.656 -20.986  -0.606
   65   2H6     A   6          2H6         A   6   0.105 -20.846  -2.260
   66    H2     A   6           H2         A   6  -2.940 -22.020   1.883
   67   1H5*    U   7          1H5*        U   7 -10.948 -20.697   1.172
   68   2H5*    U   7          2H5*        U   7  -9.437 -20.290   0.336
   69    H4*    U   7           H4*        U   7  -9.825 -21.232   3.025
   70    H3*    U   7           H3*        U   7  -7.914 -19.670   1.733
   71    H2*    U   7           H2*        U   7  -6.612 -21.423   0.850
   72   2HO*    U   7          2HO*        U   7  -5.442 -22.015   3.232
   73    H1*    U   7           H1*        U   7  -7.105 -23.150   3.266
   74    H3     U   7           H3         U   7  -7.964 -26.746   0.050
   75    H5     U   7           H5         U   7  -4.269 -24.804  -0.541
   76    H6     U   7           H6         U   7  -5.024 -23.051   0.959
   77   1H5*    G   8          1H5*        G   8  -4.305 -20.861   3.950
   78   2H5*    G   8          2H5*        G   8  -4.602 -19.726   5.282
   79    H4*    G   8           H4*        G   8  -2.384 -19.284   4.771
   80    H3*    G   8           H3*        G   8  -4.164 -17.363   3.307
   81    H2*    G   8           H2*        G   8  -2.444 -16.556   1.959
   82   2HO*    G   8          2HO*        G   8  -0.416 -16.360   2.635
   83    H1*    G   8           H1*        G   8  -0.917 -18.844   1.682
   84    H8     G   8           H8         G   8  -4.629 -19.549   1.241
   85    H1     G   8           H1         G   8  -1.786 -17.360  -4.056
   86   1H2     G   8          1H2         G   8   0.271 -16.685  -3.591
   87   2H2     G   8          2H2         G   8   0.947 -16.770  -1.982
   88   1H5*    G   9          1H5*        G   9  -4.136 -13.014   3.993
   89   2H5*    G   9          2H5*        G   9  -5.075 -13.616   2.612
   90    H4*    G   9           H4*        G   9  -2.157 -12.946   2.803
   91    H3*    G   9           H3*        G   9  -4.442 -12.269   0.990
   92    H2*    G   9           H2*        G   9  -3.178 -12.461  -0.970
   93   2HO*    G   9          2HO*        G   9  -1.052 -11.884   0.758
   94    H1*    G   9           H1*        G   9  -1.574 -14.565  -0.322
   95    H8     G   9           H8         G   9  -4.554 -15.981   1.117
   96    H1     G   9           H1         G   9  -5.307 -15.363  -5.212
   97   1H2     G   9          1H2         G   9  -3.753 -14.000  -6.030
   98   2H2     G   9          2H2         G   9  -2.538 -13.247  -5.023
   99   1H5*    A  10          1H5*        A  10  -1.882  -8.870   0.533
  100   2H5*    A  10          2H5*        A  10  -2.707  -7.300   0.448
  101    H4*    A  10           H4*        A  10  -1.613  -8.034  -1.697
  102    H3*    A  10           H3*        A  10  -4.562  -7.417  -1.568
  103    H2*    A  10           H2*        A  10  -4.873  -8.078  -3.784
  104   2HO*    A  10          2HO*        A  10  -2.073  -7.987  -4.258
  105    H1*    A  10           H1*        A  10  -2.908 -10.064  -3.924
  106    H8     A  10           H8         A  10  -4.790 -10.960  -0.888
  107   1H6     A  10          1H6         A  10  -9.307 -13.149  -4.488
  108   2H6     A  10          2H6         A  10  -8.674 -13.077  -2.860
  109    H2     A  10           H2         A  10  -6.510 -10.765  -7.075
  110   1H5*    A  11          1H5*        A  11  -2.583  -4.825  -4.616
  111   2H5*    A  11          2H5*        A  11  -3.340  -3.223  -4.733
  112    H4*    A  11           H4*        A  11  -3.195  -4.485  -6.906
  113    H3*    A  11           H3*        A  11  -5.858  -3.560  -5.821
  114    H2*    A  11           H2*        A  11  -6.978  -4.554  -7.634
  115   2HO*    A  11          2HO*        A  11  -4.440  -4.728  -8.923
  116    H1*    A  11           H1*        A  11  -5.399  -6.808  -7.889
  117    H8     A  11           H8         A  11  -6.037  -6.271  -4.213
  118   1H6     A  11          1H6         A  11 -11.493  -9.057  -5.071
  119   2H6     A  11          2H6         A  11 -10.361  -8.450  -3.882
  120    H2     A  11           H2         A  11  -9.697  -8.246  -9.108
  121   1H5*    G  12          1H5*        G  12  -5.939  -1.302  -9.661
  122   2H5*    G  12          2H5*        G  12  -6.577   0.298  -9.229
  123    H4*    G  12           H4*        G  12  -7.977  -0.930 -10.896
  124    H3*    G  12           H3*        G  12  -9.164  -0.159  -8.224
  125    H2*    G  12           H2*        G  12 -11.195  -1.181  -8.806
  126   2HO*    G  12          2HO*        G  12 -11.201  -1.926 -11.240
  127    H1*    G  12           H1*        G  12 -10.161  -3.304 -10.271
  128    H8     G  12           H8         G  12  -8.247  -2.887  -7.027
  129    H1     G  12           H1         G  12 -13.830  -5.937  -6.323
  130   1H2     G  12          1H2         G  12 -15.013  -5.790  -8.200
  131   2H2     G  12          2H2         G  12 -14.428  -4.943  -9.612
  132   1H5*    A  13          1H5*        A  13 -11.794   0.477 -10.665
  133   2H5*    A  13          2H5*        A  13 -12.197   2.132 -11.164
  134    H4*    A  13           H4*        A  13 -14.314   1.278 -10.953
  135    H3*    A  13           H3*        A  13 -13.558   2.313  -8.223
  136    H2*    A  13           H2*        A  13 -15.485   1.392  -7.267
  137   2HO*    A  13          2HO*        A  13 -16.502   1.391  -9.920
  138    H1*    A  13           H1*        A  13 -15.697  -0.888  -8.845
  139    H8     A  13           H8         A  13 -12.259   0.053  -7.341
  140   1H6     A  13          1H6         A  13 -13.722  -3.870  -2.801
  141   2H6     A  13          2H6         A  13 -12.472  -2.845  -3.469
  142    H2     A  13           H2         A  13 -17.295  -3.484  -5.500
  143   1H5*    A  14          1H5*        A  14 -17.216   2.879  -8.576
  144   2H5*    A  14          2H5*        A  14 -17.868   4.529  -8.624
  145    H4*    A  14           H4*        A  14 -19.268   3.499  -7.081
  146    H3*    A  14           H3*        A  14 -17.008   4.836  -5.597
  147    H2*    A  14           H2*        A  14 -17.645   3.867  -3.590
  148   2HO*    A  14          2HO*        A  14 -20.239   3.222  -4.494
  149    H1*    A  14           H1*        A  14 -18.951   1.565  -4.621
  150    H8     A  14           H8         A  14 -15.244   2.434  -5.357
  151   1H6     A  14          1H6         A  14 -13.928  -1.489  -0.776
  152   2H6     A  14          2H6         A  14 -13.264  -0.459  -2.022
  153    H2     A  14           H2         A  14 -18.403  -1.098  -1.017
  154   1H5*    C  15          1H5*        C  15 -21.298   5.451  -3.832
  155   2H5*    C  15          2H5*        C  15 -21.291   7.151  -3.322
  156    H4*    C  15           H4*        C  15 -22.272   5.781  -1.574
  157    H3*    C  15           H3*        C  15 -19.555   6.946  -0.957
  158    H2*    C  15           H2*        C  15 -19.503   5.844   1.108
  159   2HO*    C  15          2HO*        C  15 -22.217   5.099   1.006
  160    H1*    C  15           H1*        C  15 -20.887   3.534   0.380
  161   1H4     C  15          1H4         C  15 -14.822   1.650   0.439
  162   2H4     C  15          2H4         C  15 -14.442   2.683  -0.920
  163    H5     C  15           H5         C  15 -16.042   4.165  -1.938
  164    H6     C  15           H6         C  15 -18.347   4.997  -1.861
  165   1H5*    C  16          1H5*        C  16 -21.521   7.165   2.125
  166   2H5*    C  16          2H5*        C  16 -21.562   8.606   3.161
  167    H4*    C  16           H4*        C  16 -20.657   6.831   4.477
  168    H3*    C  16           H3*        C  16 -18.552   8.766   3.498
  169    H2*    C  16           H2*        C  16 -16.867   7.467   4.437
  170   2HO*    C  16          2HO*        C  16 -18.885   6.787   6.269
  171    H1*    C  16           H1*        C  16 -18.194   4.961   4.318
  172   1H4     C  16          1H4         C  16 -13.397   4.377   0.206
  173   2H4     C  16          2H4         C  16 -14.046   5.647  -0.810
  174    H5     C  16           H5         C  16 -16.041   6.891  -0.260
  175    H6     C  16           H6         C  16 -17.816   7.209   1.403
  176   1H5*    G  17          1H5*        G  17 -19.185   8.313   8.321
  177   2H5*    G  17          2H5*        G  17 -18.600   9.875   8.926
  178    H4*    G  17           H4*        G  17 -17.855   7.970  10.325
  179    H3*    G  17           H3*        G  17 -15.786   9.645   8.905
  180    H2*    G  17           H2*        G  17 -14.051   8.271   9.698
  181   2HO*    G  17          2HO*        G  17 -14.603   6.612  11.349
  182    H1*    G  17           H1*        G  17 -15.315   5.845   9.463
  183    H8     G  17           H8         G  17 -16.252   7.879   6.453
  184    H1     G  17           H1         G  17 -10.374   5.397   6.021
  185   1H2     G  17          1H2         G  17  -9.751   4.562   7.990
  186   2H2     G  17          2H2         G  17 -10.779   4.627   9.404
  187   1H5*    G  18          1H5*        G  18 -13.668   8.709  11.874
  188   2H5*    G  18          2H5*        G  18 -13.572  10.082  12.993
  189    H4*    G  18           H4*        G  18 -11.350   9.457  12.858
  190    H3*    G  18           H3*        G  18 -11.821  11.533  10.715
  191    H2*    G  18           H2*        G  18  -9.679  11.208   9.870
  192   2HO*    G  18          2HO*        G  18  -8.699   9.852  12.121
  193    H1*    G  18           H1*        G  18  -9.324   8.516  10.716
  194    H8     G  18           H8         G  18 -12.365   8.997   8.509
  195    H1     G  18           H1         G  18  -6.908   8.404   5.219
  196   1H2     G  18          1H2         G  18  -5.173   8.489   6.600
  197   2H2     G  18          2H2         G  18  -5.359   8.694   8.328
  198   1H5*    G  19          1H5*        G  19  -7.926  11.853  12.427
  199   2H5*    G  19          2H5*        G  19  -7.799  13.480  13.126
  200    H4*    G  19           H4*        G  19  -5.761  12.938  11.913
  201    H3*    G  19           H3*        G  19  -7.516  15.073  10.709
  202    H2*    G  19           H2*        G  19  -6.198  15.200   8.805
  203   2HO*    G  19          2HO*        G  19  -3.917  14.020   9.271
  204    H1*    G  19           H1*        G  19  -5.112  12.575   8.856
  205    H8     G  19           H8         G  19  -8.914  13.303   8.733
  206    H1     G  19           H1         G  19  -6.170  12.231   3.050
  207   1H2     G  19          1H2         G  19  -3.976  12.012   3.294
  208   2H2     G  19          2H2         G  19  -3.188  12.130   4.851
  209   1H5*    G  20          1H5*        G  20  -6.280  19.496  10.395
  210   2H5*    G  20          2H5*        G  20  -7.070  17.962   9.979
  211    H4*    G  20           H4*        G  20  -4.260  18.605   9.065
  212    H3*    G  20           H3*        G  20  -6.852  19.543   7.850
  213    H2*    G  20           H2*        G  20  -6.180  18.891   5.698
  214   2HO*    G  20          2HO*        G  20  -3.703  18.083   5.823
  215    H1*    G  20           H1*        G  20  -4.858  16.570   6.346
  216    H8     G  20           H8         G  20  -7.902  16.554   8.512
  217    H1     G  20           H1         G  20  -9.304  15.286   2.397
  218   1H2     G  20          1H2         G  20  -7.553  15.692   1.116
  219   2H2     G  20          2H2         G  20  -6.038  16.288   1.755
  220   1H5*    A  21          1H5*        A  21  -7.973  23.394   7.081
  221   2H5*    A  21          2H5*        A  21  -8.530  21.833   6.445
  222    H4*    A  21           H4*        A  21  -8.853  23.955   4.991
  223    H3*    A  21           H3*        A  21  -7.896  21.271   4.102
  224    H2*    A  21           H2*        A  21  -7.094  22.005   2.031
  225   2HO*    A  21          2HO*        A  21  -8.608  24.393   2.390
  226    H1*    A  21           H1*        A  21  -6.121  24.463   2.696
  227    H8     A  21           H8         A  21  -5.496  21.826   5.412
  228   1H6     A  21          1H6         A  21  -0.165  20.689   2.529
  229   2H6     A  21          2H6         A  21  -1.140  20.354   3.942
  230    H2     A  21           H2         A  21  -2.525  23.531  -0.028
  231   1H5*    A  22          1H5*        A  22  -9.821  18.921   0.557
  232   2H5*    A  22          2H5*        A  22  -8.619  19.109   1.851
  233    H4*    A  22           H4*        A  22  -8.494  20.509  -0.841
  234    H3*    A  22           H3*        A  22  -7.340  17.885   0.060
  235    H2*    A  22           H2*        A  22  -5.204  18.400  -0.722
  236   2HO*    A  22          2HO*        A  22  -6.229  20.562  -2.253
  237    H1*    A  22           H1*        A  22  -5.183  21.134  -0.289
  238    H8     A  22           H8         A  22  -6.392  20.167   2.970
  239   1H6     A  22          1H6         A  22  -0.848  17.825   4.338
  240   2H6     A  22          2H6         A  22  -2.387  18.350   4.984
  241    H2     A  22           H2         A  22  -1.031  18.445  -0.112
  242   1H5*    A  23          1H5*        A  23  -6.152  17.113  -5.036
  243   2H5*    A  23          2H5*        A  23  -6.555  15.477  -4.479
  244    H4*    A  23           H4*        A  23  -4.128  16.136  -5.409
  245    H3*    A  23           H3*        A  23  -4.959  14.105  -3.369
  246    H2*    A  23           H2*        A  23  -2.781  13.787  -2.556
  247   2HO*    A  23          2HO*        A  23  -0.940  14.471  -3.748
  248    H1*    A  23           H1*        A  23  -1.842  16.335  -2.673
  249    H8     A  23           H8         A  23  -5.539  15.982  -1.641
  250   1H6     A  23          1H6         A  23  -3.453  16.008   4.173
  251   2H6     A  23          2H6         A  23  -4.881  16.046   3.160
  252    H2     A  23           H2         A  23   0.111  15.880   1.416
  253   1H5*    C  24          1H5*        C  24  -2.376  12.069  -5.082
  254   2H5*    C  24          2H5*        C  24  -2.590  10.327  -5.344
  255    H4*    C  24           H4*        C  24  -1.055  10.861  -3.456
  256    H3*    C  24           H3*        C  24  -3.604   9.334  -2.903
  257    H2*    C  24           H2*        C  24  -3.097   9.273  -0.612
  258   2HO*    C  24          2HO*        C  24  -0.754  10.182  -0.163
  259    H1*    C  24           H1*        C  24  -1.903  11.772  -0.405
  260   1H4     C  24          1H4         C  24  -7.800  12.573   1.849
  261   2H4     C  24          2H4         C  24  -8.449  12.576   0.225
  262    H5     C  24           H5         C  24  -7.105  12.169  -1.732
  263    H6     C  24           H6         C  24  -4.850  11.670  -2.555
  264   1H5*    U  25          1H5*        U  25  -0.853   7.917  -0.705
  265   2H5*    U  25          2H5*        U  25  -0.568   6.166  -0.708
  266    H4*    U  25           H4*        U  25  -0.879   6.950   1.573
  267    H3*    U  25           H3*        U  25  -3.139   5.271   0.466
  268    H2*    U  25           H2*        U  25  -4.322   5.529   2.464
  269   2HO*    U  25          2HO*        U  25  -2.262   6.598   3.989
  270    H1*    U  25           H1*        U  25  -3.327   8.075   3.169
  271    H3     U  25           H3         U  25  -7.805   8.719   3.066
  272    H5     U  25           H5         U  25  -6.745   8.218  -0.985
  273    H6     U  25           H6         U  25  -4.502   7.652  -0.260
  274   1H5*    U  26          1H5*        U  26  -2.450   4.389   4.103
  275   2H5*    U  26          2H5*        U  26  -1.886   2.753   4.494
  276    H4*    U  26           H4*        U  26  -3.492   3.105   6.131
  277    H3*    U  26           H3*        U  26  -4.896   1.792   3.790
  278    H2*    U  26           H2*        U  26  -6.925   1.947   4.946
  279   2HO*    U  26          2HO*        U  26  -6.644   2.645   7.349
  280    H1*    U  26           H1*        U  26  -6.392   4.342   6.314
  281    H3     U  26           H3         U  26  -9.928   5.737   3.914
  282    H5     U  26           H5         U  26  -7.138   4.633   0.957
  283    H6     U  26           H6         U  26  -5.670   3.853   2.721
  284   1H5*    G  27          1H5*        G  27  -5.967   0.354   7.260
  285   2H5*    G  27          2H5*        G  27  -6.408  -1.353   7.460
  286    H4*    G  27           H4*        G  27  -8.279   0.079   8.081
  287    H3*    G  27           H3*        G  27  -8.672  -1.470   5.504
  288    H2*    G  27           H2*        G  27 -10.789  -0.512   5.300
  289   2HO*    G  27          2HO*        G  27 -11.205  -1.163   7.619
  290    H1*    G  27           H1*        G  27 -10.204   1.894   6.704
  291    H8     G  27           H8         G  27  -8.206   0.888   3.548
  292    H1     G  27           H1         G  27 -13.318   4.598   2.497
  293   1H2     G  27          1H2         G  27 -14.456   4.862   4.385
  294   2H2     G  27          2H2         G  27 -13.953   4.129   5.892
  295   1H5*    G  28          1H5*        G  28 -11.740  -2.830   8.971
  296   2H5*    G  28          2H5*        G  28 -11.897  -4.563   8.623
  297    H4*    G  28           H4*        G  28 -14.087  -3.652   9.092
  298    H3*    G  28           H3*        G  28 -13.578  -4.425   6.223
  299    H2*    G  28           H2*        G  28 -15.671  -3.591   5.547
  300   2HO*    G  28          2HO*        G  28 -17.337  -3.150   7.019
  301    H1*    G  28           H1*        G  28 -15.762  -1.348   7.109
  302    H8     G  28           H8         G  28 -12.268  -2.092   5.725
  303    H1     G  28           H1         G  28 -15.989   1.253   1.734
  304   1H2     G  28          1H2         G  28 -18.046   1.403   2.562
  305   2H2     G  28          2H2         G  28 -18.509   0.658   4.075
  306   1H5*    U  29          1H5*        U  29 -17.553  -6.171   6.978
  307   2H5*    U  29          2H5*        U  29 -17.445  -7.832   6.362
  308    H4*    U  29           H4*        U  29 -19.342  -6.618   5.368
  309    H3*    U  29           H3*        U  29 -17.079  -7.394   3.519
  310    H2*    U  29           H2*        U  29 -18.192  -6.388   1.716
  311   2HO*    U  29          2HO*        U  29 -20.461  -6.898   3.278
  312    H1*    U  29           H1*        U  29 -19.341  -4.265   3.107
  313    H3     U  29           H3         U  29 -16.521  -2.220   0.212
  314    H5     U  29           H5         U  29 -13.957  -4.040   3.019
  315    H6     U  29           H6         U  29 -15.901  -5.106   4.005
  316   1H5*    U  30          1H5*        U  30 -20.987  -8.493   1.811
  317   2H5*    U  30          2H5*        U  30 -20.831 -10.088   1.050
  318    H4*    U  30           H4*        U  30 -21.857  -8.394  -0.449
  319    H3*    U  30           H3*        U  30 -19.193  -9.585  -1.257
  320    H2*    U  30           H2*        U  30 -19.228  -8.288  -3.217
  321   2HO*    U  30          2HO*        U  30 -21.709  -7.175  -3.076
  322    H1*    U  30           H1*        U  30 -20.421  -6.018  -2.132
  323    H3     U  30           H3         U  30 -16.321  -4.511  -3.276
  324    H5     U  30           H5         U  30 -15.594  -7.008   0.042
  325    H6     U  30           H6         U  30 -17.928  -7.670  -0.029
  326   1H5*    C  31          1H5*        C  31 -21.528  -9.821  -4.774
  327   2H5*    C  31          2H5*        C  31 -21.094 -11.312  -5.632
  328    H4*    C  31           H4*        C  31 -20.658  -9.207  -6.927
  329    H3*    C  31           H3*        C  31 -18.354 -11.059  -6.275
  330    H2*    C  31           H2*        C  31 -16.884  -9.599  -7.339
  331   2HO*    C  31          2HO*        C  31 -17.387  -8.550  -9.128
  332    H1*    C  31           H1*        C  31 -18.348  -7.207  -6.890
  333   1H4     C  31          1H4         C  31 -13.087  -6.569  -3.389
  334   2H4     C  31          2H4         C  31 -13.629  -7.812  -2.283
  335    H5     C  31           H5         C  31 -15.656  -9.074  -2.606
  336    H6     C  31           H6         C  31 -17.587  -9.437  -4.074
  337   1H5*    U  32          1H5*        U  32 -18.219 -10.602 -10.780
  338   2H5*    U  32          2H5*        U  32 -18.067 -12.277 -11.347
  339    H4*    U  32           H4*        U  32 -16.366 -10.922 -12.410
  340    H3*    U  32           H3*        U  32 -15.373 -12.871 -10.334
  341    H2*    U  32           H2*        U  32 -13.175 -12.089 -10.559
  342   2HO*    U  32          2HO*        U  32 -13.904 -10.677 -12.919
  343    H1*    U  32           H1*        U  32 -13.721  -9.409 -10.961
  344    H3     U  32           H3         U  32 -11.752  -9.271  -6.912
  345    H5     U  32           H5         U  32 -15.397 -11.240  -6.164
  346    H6     U  32           H6         U  32 -15.822 -11.219  -8.553
  347   1H5*    U  33          1H5*        U  33 -12.993 -12.456 -13.821
  348   2H5*    U  33          2H5*        U  33 -12.297 -13.980 -14.406
  349    H4*    U  33           H4*        U  33 -10.640 -12.110 -14.110
  350    H3*    U  33           H3*        U  33 -10.309 -14.732 -12.659
  351    H2*    U  33           H2*        U  33  -8.499 -13.926 -11.452
  352   2HO*    U  33          2HO*        U  33  -8.119 -11.934 -13.452
  353    H1*    U  33           H1*        U  33  -9.136 -11.159 -11.524
  354    H3     U  33           H3         U  33  -8.623 -11.772  -7.087
  355    H5     U  33           H5         U  33 -12.008 -14.099  -8.031
  356    H6     U  33           H6         U  33 -11.614 -13.608 -10.374
  357   1H5*    C  34          1H5*        C  34  -5.546 -15.371 -14.525
  358   2H5*    C  34          2H5*        C  34  -5.644 -16.426 -13.100
  359    H4*    C  34           H4*        C  34  -4.548 -13.680 -13.380
  360    H3*    C  34           H3*        C  34  -3.905 -16.157 -11.797
  361    H2*    C  34           H2*        C  34  -3.133 -14.936  -9.971
  362   2HO*    C  34          2HO*        C  34  -3.005 -12.460 -11.247
  363    H1*    C  34           H1*        C  34  -4.753 -12.679 -10.191
  364   1H4     C  34          1H4         C  34  -7.027 -16.252  -5.391
  365   2H4     C  34          2H4         C  34  -8.187 -16.935  -6.508
  366    H5     C  34           H5         C  34  -8.156 -16.494  -8.875
  367    H6     C  34           H6         C  34  -6.996 -15.322 -10.686
  368   1H5*    C  35          1H5*        C  35  -0.219 -13.972 -11.356
  369   2H5*    C  35          2H5*        C  35   0.957 -14.938 -12.272
  370    H4*    C  35           H4*        C  35   1.993 -14.453 -10.194
  371    H3*    C  35           H3*        C  35   0.949 -17.260 -10.395
  372    H2*    C  35           H2*        C  35   1.302 -17.713  -8.141
  373   2HO*    C  35          2HO*        C  35   3.488 -16.219  -8.572
  374    H1*    C  35           H1*        C  35   0.936 -15.166  -7.067
  375   1H4     C  35          1H4         C  35  -4.452 -18.203  -5.600
  376   2H4     C  35          2H4         C  35  -4.969 -18.158  -7.269
  377    H5     C  35           H5         C  35  -3.603 -17.296  -9.051
  378    H6     C  35           H6         C  35  -1.444 -16.288  -9.622
  379   1H5*    U  36          1H5*        U  36   4.994 -20.089  -9.445
  380   2H5*    U  36          2H5*        U  36   3.469 -20.847  -8.943
  381    H4*    U  36           H4*        U  36   5.548 -19.443  -7.297
  382    H3*    U  36           H3*        U  36   4.146 -22.077  -7.250
  383    H2*    U  36           H2*        U  36   3.663 -22.043  -4.979
  384   2HO*    U  36          2HO*        U  36   5.694 -20.070  -4.646
  385    H1*    U  36           H1*        U  36   3.372 -19.338  -4.523
  386    H3     U  36           H3         U  36  -0.677 -21.340  -3.768
  387    H5     U  36           H5         U  36  -0.515 -20.646  -7.923
  388    H6     U  36           H6         U  36   1.817 -20.032  -7.662
  389   1H5*    A  37          1H5*        A  37   6.372 -25.386  -4.672
  390   2H5*    A  37          2H5*        A  37   4.708 -25.461  -5.284
  391    H4*    A  37           H4*        A  37   5.553 -24.412  -2.562
  392    H3*    A  37           H3*        A  37   5.323 -27.081  -3.212
  393    H2*    A  37           H2*        A  37   3.063 -27.186  -3.785
  394   2HO*    A  37          2HO*        A  37   2.106 -26.951  -1.265
  395    H1*    A  37           H1*        A  37   2.157 -25.096  -1.862
  396    H8     A  37           H8         A  37   2.589 -25.038  -5.723
  397   1H6     A  37          1H6         A  37  -3.580 -24.759  -5.891
  398   2H6     A  37          2H6         A  37  -2.113 -24.729  -6.843
  399    H2     A  37           H2         A  37  -2.333 -25.219  -1.598
  400   1H5*    A  38          1H5*        A  38   6.892 -26.646   1.742
  401   2H5*    A  38          2H5*        A  38   6.725 -28.395   1.995
  402    H4*    A  38           H4*        A  38   6.435 -27.072   4.082
  403    H3*    A  38           H3*        A  38   4.311 -28.892   3.046
  404    H2*    A  38           H2*        A  38   2.619 -28.072   4.407
  405   2HO*    A  38          2HO*        A  38   3.202 -28.080   6.432
  406    H1*    A  38           H1*        A  38   3.382 -25.432   4.695
  407    H8     A  38           H8         A  38   3.754 -25.897   1.067
  408   1H6     A  38          1H6         A  38  -2.392 -25.612   0.525
  409   2H6     A  38          2H6         A  38  -0.867 -25.574  -0.335
  410    H2     A  38           H2         A  38  -1.411 -26.116   4.882
  411   1H5*    G  39          1H5*        G  39   3.511 -31.650   6.817
  412   2H5*    G  39          2H5*        G  39   2.972 -32.717   5.505
  413    H4*    G  39           H4*        G  39   1.364 -31.191   7.230
  414    H3*    G  39           H3*        G  39   0.891 -32.886   4.810
  415    H2*    G  39           H2*        G  39  -1.125 -31.859   4.248
  416   2HO*    G  39          2HO*        G  39  -2.370 -31.850   5.977
  417    H1*    G  39           H1*        G  39  -0.624 -29.277   5.050
  418    H8     G  39           H8         G  39   2.528 -30.149   3.344
  419    H1     G  39           H1         G  39  -2.268 -29.411  -0.833
  420   1H2     G  39          1H2         G  39  -4.211 -29.376   0.240
  421   2H2     G  39          2H2         G  39  -4.327 -29.534   1.979
  422   1H5*    U  40          1H5*        U  40  -3.088 -33.639   6.902
  423   2H5*    U  40          2H5*        U  40  -3.059 -35.414   6.924
  424    H4*    U  40           H4*        U  40  -5.113 -34.442   5.874
  425    H3*    U  40           H3*        U  40  -3.298 -36.303   4.371
  426    H2*    U  40           H2*        U  40  -4.407 -35.971   2.341
  427   2HO*    U  40          2HO*        U  40  -6.572 -35.242   4.000
  428    H1*    U  40           H1*        U  40  -5.095 -33.315   2.601
  429    H3     U  40           H3         U  40  -2.056 -33.400  -0.780
  430    H5     U  40           H5         U  40   0.252 -33.712   2.734
  431    H6     U  40           H6         U  40  -1.812 -33.942   3.990
  432   1H5*    C  41          1H5*        C  41  -6.796 -37.195   3.443
  433   2H5*    C  41          2H5*        C  41  -7.565 -38.778   3.673
  434    H4*    C  41           H4*        C  41  -7.919 -38.263   1.399
  435    H3*    C  41           H3*        C  41  -5.580 -40.140   1.739
  436    H2*    C  41           H2*        C  41  -5.089 -40.035  -0.536
  437   2HO*    C  41          2HO*        C  41  -6.698 -39.333  -2.071
  438    H1*    C  41           H1*        C  41  -6.011 -37.424  -1.040
  439   1H4     C  41          1H4         C  41   0.318 -36.958  -1.322
  440   2H4     C  41          2H4         C  41   0.452 -37.220   0.402
  441    H5     C  41           H5         C  41  -1.440 -37.693   1.818
  442    H6     C  41           H6         C  41  -3.865 -38.043   1.881
  443   1H5*    C  42          1H5*        C  42  -8.267 -41.076  -1.496
  444   2H5*    C  42          2H5*        C  42  -8.755 -42.782  -1.451
  445    H4*    C  42           H4*        C  42  -8.239 -42.166  -3.735
  446    H3*    C  42           H3*        C  42  -6.252 -44.006  -2.405
  447    H2*    C  42           H2*        C  42  -4.866 -43.967  -4.299
  448   2HO*    C  42          2HO*        C  42  -5.804 -42.892  -6.290
  449    H1*    C  42           H1*        C  42  -5.236 -41.329  -5.028
  450   1H4     C  42          1H4         C  42   0.221 -41.250  -1.757
  451   2H4     C  42          2H4         C  42  -0.641 -41.489  -0.255
  452    H5     C  42           H5         C  42  -3.016 -41.835  -0.136
  453    H6     C  42           H6         C  42  -5.087 -42.035  -1.430
  454   1H5*    U  43          1H5*        U  43  -6.291 -44.935  -6.193
  455   2H5*    U  43          2H5*        U  43  -6.553 -46.661  -6.510
  456    H4*    U  43           H4*        U  43  -4.514 -45.835  -7.611
  457    H3*    U  43           H3*        U  43  -4.300 -47.916  -5.473
  458    H2*    U  43           H2*        U  43  -2.084 -47.533  -5.106
  459   2HO*    U  43          2HO*        U  43  -0.840 -48.140  -6.675
  460    H1*    U  43           H1*        U  43  -1.880 -45.219  -6.941
  461    H3     U  43           H3         U  43   1.486 -44.116  -4.177
  462    H5     U  43           H5         U  43  -1.885 -44.223  -1.643
  463    H6     U  43           H6         U  43  -3.169 -45.089  -3.514
  464    H3T    U  43           H3T        U  43  -3.172 -48.684  -7.657
  465   1H5*    G  44          1H5*        G  44  -8.709  44.588  -2.057
  466   2H5*    G  44          2H5*        G  44  -8.847  42.872  -2.494
  467    H4*    G  44           H4*        G  44  -8.314  44.095  -4.489
  468    H3*    G  44           H3*        G  44  -6.139  42.377  -3.367
  469    H2*    G  44           H2*        G  44  -4.468  43.255  -4.744
  470   2HO*    G  44          2HO*        G  44  -6.242  44.675  -6.398
  471    H1*    G  44           H1*        G  44  -5.236  45.873  -4.857
  472    H8     G  44           H8         G  44  -5.895  44.973  -1.309
  473    H1     G  44           H1         G  44   0.374  45.534  -2.496
  474   1H2     G  44          1H2         G  44   0.724  45.642  -4.685
  475   2H2     G  44          2H2         G  44  -0.577  45.572  -5.851
  476    H5T    G  44           H5T        G  44  -6.955  42.450  -1.520
  477   1H5*    G  45          1H5*        G  45  -5.000  42.369  -6.924
  478   2H5*    G  45          2H5*        G  45  -5.160  40.792  -7.723
  479    H4*    G  45           H4*        G  45  -2.922  41.565  -8.094
  480    H3*    G  45           H3*        G  45  -3.125  39.363  -6.039
  481    H2*    G  45           H2*        G  45  -0.853  39.520  -5.562
  482   2HO*    G  45          2HO*        G  45  -0.651  40.521  -8.205
  483    H1*    G  45           H1*        G  45  -0.479  42.247  -6.235
  484    H8     G  45           H8         G  45  -3.200  41.775  -3.652
  485    H1     G  45           H1         G  45   2.707  41.777  -1.177
  486   1H2     G  45          1H2         G  45   4.209  41.655  -2.799
  487   2H2     G  45          2H2         G  45   3.762  41.580  -4.489
  488   1H5*    G  46          1H5*        G  46  -0.296  38.624  -8.668
  489   2H5*    G  46          2H5*        G  46  -0.184  37.110  -9.587
  490    H4*    G  46           H4*        G  46   1.978  37.501  -8.671
  491    H3*    G  46           H3*        G  46   0.429  35.389  -7.173
  492    H2*    G  46           H2*        G  46   2.113  35.197  -5.569
  493   2HO*    G  46          2HO*        G  46   4.202  35.439  -6.018
  494    H1*    G  46           H1*        G  46   3.033  37.842  -5.602
  495    H8     G  46           H8         G  46  -0.760  37.348  -5.266
  496    H1     G  46           H1         G  46   2.425  37.366   0.290
  497   1H2     G  46          1H2         G  46   4.609  37.374  -0.094
  498   2H2     G  46          2H2         G  46   5.282  37.373  -1.708
  499   1H5*    A  47          1H5*        A  47   4.370  34.384  -7.975
  500   2H5*    A  47          2H5*        A  47   4.664  32.796  -8.713
  501    H4*    A  47           H4*        A  47   6.248  33.121  -6.921
  502    H3*    A  47           H3*        A  47   4.076  31.104  -6.370
  503    H2*    A  47           H2*        A  47   4.808  30.801  -4.173
  504   2HO*    A  47          2HO*        A  47   6.879  30.971  -3.573
  505    H1*    A  47           H1*        A  47   5.752  33.380  -3.668
  506    H8     A  47           H8         A  47   2.252  33.035  -5.239
  507   1H6     A  47          1H6         A  47   0.123  33.178   0.556
  508   2H6     A  47          2H6         A  47  -0.314  33.176  -1.138
  509    H2     A  47           H2         A  47   4.613  33.022   0.737
  510   1H5*    U  48          1H5*        U  48   7.519  29.495  -4.974
  511   2H5*    U  48          2H5*        U  48   7.697  27.748  -5.232
  512    H4*    U  48           H4*        U  48   7.702  28.401  -2.826
  513    H3*    U  48           H3*        U  48   5.616  26.525  -3.907
  514    H2*    U  48           H2*        U  48   4.387  26.550  -1.940
  515   2HO*    U  48          2HO*        U  48   5.599  27.379   0.055
  516    H1*    U  48           H1*        U  48   5.137  29.089  -0.956
  517    H3     U  48           H3         U  48   0.655  29.532  -1.055
  518    H5     U  48           H5         U  48   1.716  29.233  -5.123
  519    H6     U  48           H6         U  48   3.994  28.776  -4.426
  520   1H5*    A  49          1H5*        A  49   9.371  22.275  -1.383
  521   2H5*    A  49          2H5*        A  49   7.608  22.075  -1.466
  522    H4*    A  49           H4*        A  49   9.033  23.431   0.842
  523    H3*    A  49           H3*        A  49   9.230  20.701   0.366
  524    H2*    A  49           H2*        A  49   6.992  20.092   0.621
  525   2HO*    A  49          2HO*        A  49   7.540  20.573   3.369
  526    H1*    A  49           H1*        A  49   6.388  22.199   2.657
  527    H8     A  49           H8         A  49   5.343  21.619  -1.051
  528   1H6     A  49          1H6         A  49  -0.366  20.990   1.236
  529   2H6     A  49          2H6         A  49   0.598  21.020  -0.221
  530    H2     A  49           H2         A  49   2.447  21.598   4.683
  531   1H5*    U  50          1H5*        U  50   9.935  21.605   5.719
  532   2H5*    U  50          2H5*        U  50  10.033  19.864   6.055
  533    H4*    U  50           H4*        U  50   8.599  20.496   7.730
  534    H3*    U  50           H3*        U  50   7.245  19.207   5.658
  535    H2*    U  50           H2*        U  50   6.116  21.054   4.770
  536   2HO*    U  50          2HO*        U  50   4.083  21.166   5.645
  537    H1*    U  50           H1*        U  50   5.869  22.405   7.442
  538    H3     U  50           H3         U  50   7.496  26.439   5.227
  539    H5     U  50           H5         U  50   4.309  24.601   3.169
  540    H6     U  50           H6         U  50   4.622  22.640   4.567
  541   1H5*    G  51          1H5*        G  51   3.136  19.983   7.032
  542   2H5*    G  51          2H5*        G  51   3.037  18.534   8.055
  543    H4*    G  51           H4*        G  51   1.059  18.523   6.757
  544    H3*    G  51           H3*        G  51   3.139  16.606   5.747
  545    H2*    G  51           H2*        G  51   1.956  16.136   3.801
  546   2HO*    G  51          2HO*        G  51  -0.063  15.654   4.082
  547    H1*    G  51           H1*        G  51   0.675  18.579   3.414
  548    H8     G  51           H8         G  51   4.394  18.962   4.115
  549    H1     G  51           H1         G  51   3.051  17.698  -2.014
  550   1H2     G  51          1H2         G  51   0.913  17.158  -2.230
  551   2H2     G  51          2H2         G  51  -0.184  17.104  -0.870
  552   1H5*    G  52          1H5*        G  52   2.890  12.600   5.010
  553   2H5*    G  52          2H5*        G  52   3.036  14.316   4.579
  554    H4*    G  52           H4*        G  52   0.612  13.007   3.527
  555    H3*    G  52           H3*        G  52   3.321  11.893   2.855
  556    H2*    G  52           H2*        G  52   2.962  12.059   0.553
  557   2HO*    G  52          2HO*        G  52   0.942  12.057  -0.370
  558    H1*    G  52           H1*        G  52   1.424  14.353   0.479
  559    H8     G  52           H8         G  52   4.080  15.404   2.769
  560    H1     G  52           H1         G  52   6.361  14.685  -3.169
  561   1H2     G  52          1H2         G  52   4.884  13.590  -4.420
  562   2H2     G  52          2H2         G  52   3.350  13.033  -3.793
  563   1H5*    A  53          1H5*        A  53   0.666   9.153   0.644
  564   2H5*    A  53          2H5*        A  53   1.324   7.524   0.896
  565    H4*    A  53           H4*        A  53   1.147   8.324  -1.521
  566    H3*    A  53           H3*        A  53   3.696   7.256  -0.315
  567    H2*    A  53           H2*        A  53   4.909   7.758  -2.240
  568   2HO*    A  53          2HO*        A  53   2.420   7.824  -3.625
  569    H1*    A  53           H1*        A  53   3.459   9.997  -3.100
  570    H8     A  53           H8         A  53   4.407  10.402   0.526
  571   1H6     A  53          1H6         A  53   9.904  12.417  -1.444
  572   2H6     A  53          2H6         A  53   8.854  12.230  -0.057
  573    H2     A  53           H2         A  53   7.697  10.742  -4.982
  574   1H5*    A  54          1H5*        A  54   3.311   5.835  -4.098
  575   2H5*    A  54          2H5*        A  54   3.284   4.065  -4.208
  576    H4*    A  54           H4*        A  54   4.773   4.834  -5.903
  577    H3*    A  54           H3*        A  54   6.241   3.737  -3.497
  578    H2*    A  54           H2*        A  54   8.297   4.248  -4.512
  579   2HO*    A  54          2HO*        A  54   6.811   3.962  -6.841
  580    H1*    A  54           H1*        A  54   7.538   6.604  -5.765
  581    H8     A  54           H8         A  54   6.400   6.172  -2.114
  582   1H6     A  54          1H6         A  54  11.667   9.009  -0.584
  583   2H6     A  54          2H6         A  54  10.152   8.370   0.010
  584    H2     A  54           H2         A  54  11.739   8.258  -5.016
  585   1H5*    G  55          1H5*        G  55   7.996   1.762  -7.055
  586   2H5*    G  55          2H5*        G  55   8.349   0.087  -6.584
  587    H4*    G  55           H4*        G  55  10.336   1.295  -7.468
  588    H3*    G  55           H3*        G  55  10.397   0.346  -4.593
  589    H2*    G  55           H2*        G  55  12.573   1.218  -4.372
  590   2HO*    G  55          2HO*        G  55  12.613   1.014  -7.194
  591    H1*    G  55           H1*        G  55  12.237   3.451  -5.989
  592    H8     G  55           H8         G  55   9.440   2.762  -3.448
  593    H1     G  55           H1         G  55  14.388   6.067  -1.114
  594   1H2     G  55          1H2         G  55  16.025   6.146  -2.608
  595   2H2     G  55          2H2         G  55  15.899   5.382  -4.175
  596   1H5*    A  56          1H5*        A  56  13.622  -0.442  -6.669
  597   2H5*    A  56          2H5*        A  56  14.297  -2.080  -6.755
  598    H4*    A  56           H4*        A  56  16.129  -0.607  -6.362
  599    H3*    A  56           H3*        A  56  15.288  -2.063  -3.847
  600    H2*    A  56           H2*        A  56  16.943  -0.924  -2.635
  601   2HO*    A  56          2HO*        A  56  18.265   0.300  -4.714
  602    H1*    A  56           H1*        A  56  16.836   1.496  -4.027
  603    H8     A  56           H8         A  56  13.498  -0.051  -2.882
  604   1H6     A  56          1H6         A  56  14.128   3.477   2.144
  605   2H6     A  56          2H6         A  56  13.062   2.409   1.261
  606    H2     A  56           H2         A  56  17.922   3.788  -0.247
  607   1H5*    A  57          1H5*        A  57  19.472  -3.110  -3.858
  608   2H5*    A  57          2H5*        A  57  19.553  -4.813  -3.365
  609    H4*    A  57           H4*        A  57  20.780  -3.390  -1.796
  610    H3*    A  57           H3*        A  57  18.247  -4.655  -0.722
  611    H2*    A  57           H2*        A  57  18.641  -3.633   1.353
  612   2HO*    A  57          2HO*        A  57  20.911  -2.529   1.468
  613    H1*    A  57           H1*        A  57  19.798  -1.278   0.387
  614    H8     A  57           H8         A  57  16.493  -2.489  -1.198
  615   1H6     A  57          1H6         A  57  13.714   1.109   2.982
  616   2H6     A  57          2H6         A  57  13.482   0.091   1.578
  617    H2     A  57           H2         A  57  18.121   1.084   3.887
  618   1H5*    C  58          1H5*        C  58  21.487  -6.006   2.099
  619   2H5*    C  58          2H5*        C  58  21.022  -7.648   2.589
  620    H4*    C  58           H4*        C  58  21.336  -6.106   4.515
  621    H3*    C  58           H3*        C  58  18.578  -7.266   4.044
  622    H2*    C  58           H2*        C  58  17.772  -6.090   5.898
  623   2HO*    C  58          2HO*        C  58  19.666  -5.074   7.265
  624    H1*    C  58           H1*        C  58  19.504  -3.870   5.711
  625   1H4     C  58          1H4         C  58  13.850  -1.586   3.926
  626   2H4     C  58          2H4         C  58  13.903  -2.518   2.445
  627    H5     C  58           H5         C  58  15.673  -4.061   1.919
  628    H6     C  58           H6         C  58  17.760  -5.077   2.712
  629   1H5*    C  59          1H5*        C  59  19.510  -7.604   7.747
  630   2H5*    C  59          2H5*        C  59  19.148  -9.061   8.696
  631    H4*    C  59           H4*        C  59  18.073  -7.152   9.729
  632    H3*    C  59           H3*        C  59  16.190  -9.067   8.338
  633    H2*    C  59           H2*        C  59  14.378  -7.694   8.858
  634   2HO*    C  59          2HO*        C  59  14.235  -6.571  10.689
  635    H1*    C  59           H1*        C  59  15.763  -5.228   8.896
  636   1H4     C  59          1H4         C  59  12.073  -4.916   3.737
  637   2H4     C  59          2H4         C  59  13.014  -6.158   2.937
  638    H5     C  59           H5         C  59  14.860  -7.302   3.994
  639    H6     C  59           H6         C  59  16.158  -7.541   6.059
  640   1H5*    G  60          1H5*        G  60  15.419  -8.628  13.084
  641   2H5*    G  60          2H5*        G  60  14.849 -10.255  13.504
  642    H4*    G  60           H4*        G  60  13.502  -8.493  14.587
  643    H3*    G  60           H3*        G  60  12.159 -10.288  12.567
  644    H2*    G  60           H2*        G  60  10.149  -9.101  12.768
  645   2HO*    G  60          2HO*        G  60  11.087  -7.737  15.070
  646    H1*    G  60           H1*        G  60  11.200  -6.561  13.146
  647    H8     G  60           H8         G  60  12.964  -8.416  10.344
  648    H1     G  60           H1         G  60   7.524  -5.595   8.502
  649   1H2     G  60          1H2         G  60   6.410  -4.852  10.282
  650   2H2     G  60          2H2         G  60   7.004  -5.058  11.915
  651   1H5*    G  61          1H5*        G  61   9.197  -9.591  14.883
  652   2H5*    G  61          2H5*        G  61   8.974 -10.984  15.960
  653    H4*    G  61           H4*        G  61   6.791 -10.618  15.365
  654    H3*    G  61           H3*        G  61   7.907 -12.419  13.209
  655    H2*    G  61           H2*        G  61   5.921 -12.235  11.990
  656   2HO*    G  61          2HO*        G  61   4.188 -11.012  13.581
  657    H1*    G  61           H1*        G  61   5.224  -9.624  12.763
  658    H8     G  61           H8         G  61   8.790 -10.197  11.448
  659    H1     G  61           H1         G  61   4.485  -8.804   6.923
  660   1H2     G  61          1H2         G  61   2.445  -8.756   7.801
  661   2H2     G  61          2H2         G  61   2.146  -9.069   9.496
  662   1H5*    G  62          1H5*        G  62   3.992 -13.174  13.502
  663   2H5*    G  62          2H5*        G  62   3.748 -14.831  14.090
  664    H4*    G  62           H4*        G  62   2.261 -14.599  12.271
  665    H3*    G  62           H3*        G  62   4.772 -16.060  11.450
  666    H2*    G  62           H2*        G  62   4.104 -16.075   9.226
  667   2HO*    G  62          2HO*        G  62   1.468 -15.417   9.410
  668    H1*    G  62           H1*        G  62   2.435 -13.770   9.284
  669    H8     G  62           H8         G  62   6.163 -13.566  10.261
  670    H1     G  62           H1         G  62   4.932 -12.377   4.091
  671   1H2     G  62          1H2         G  62   2.787 -12.744   3.659
  672   2H2     G  62          2H2         G  62   1.662 -13.281   4.886
  673   1H5*    G  63          1H5*        G  63   4.448 -20.393  10.276
  674   2H5*    G  63          2H5*        G  63   5.789 -19.541   9.484
  675    H4*    G  63           H4*        G  63   2.864 -19.575   8.789
  676    H3*    G  63           H3*        G  63   5.436 -20.169   7.393
  677    H2*    G  63           H2*        G  63   4.902 -18.997   5.439
  678   2HO*    G  63          2HO*        G  63   2.187 -18.933   6.315
  679    H1*    G  63           H1*        G  63   3.617 -16.848   6.474
  680    H8     G  63           H8         G  63   6.171 -17.283   9.082
  681    H1     G  63           H1         G  63   8.848 -15.408   3.581
  682   1H2     G  63          1H2         G  63   7.389 -15.586   1.928
  683   2H2     G  63          2H2         G  63   5.758 -16.169   2.173
  684   1H5*    A  64          1H5*        A  64   6.639 -23.884   6.731
  685   2H5*    A  64          2H5*        A  64   7.227 -22.236   6.434
  686    H4*    A  64           H4*        A  64   8.035 -24.158   4.883
  687    H3*    A  64           H3*        A  64   7.175 -21.411   4.083
  688    H2*    A  64           H2*        A  64   6.984 -21.911   1.805
  689   2HO*    A  64          2HO*        A  64   9.110 -22.993   1.839
  690    H1*    A  64           H1*        A  64   6.005 -24.450   1.922
  691    H8     A  64           H8         A  64   4.527 -22.257   4.684
  692   1H6     A  64          1H6         A  64   0.158 -20.718   0.610
  693   2H6     A  64          2H6         A  64   0.678 -20.604   2.276
  694    H2     A  64           H2         A  64   3.289 -23.097  -1.567
  695   1H5*    A  65          1H5*        A  65  10.100 -18.663   1.410
  696   2H5*    A  65          2H5*        A  65   8.564 -18.840   2.281
  697    H4*    A  65           H4*        A  65   9.197 -19.913  -0.490
  698    H3*    A  65           H3*        A  65   7.706 -17.482   0.458
  699    H2*    A  65           H2*        A  65   5.885 -17.884  -0.947
  700   2HO*    A  65          2HO*        A  65   6.653 -19.888  -2.533
  701    H1*    A  65           H1*        A  65   5.861 -20.641  -0.922
  702    H8     A  65           H8         A  65   6.247 -20.035   2.654
  703   1H6     A  65          1H6         A  65   0.343 -18.242   2.899
  704   2H6     A  65          2H6         A  65   1.734 -18.738   3.836
  705    H2     A  65           H2         A  65   1.590 -18.316  -1.419
  706   1H5*    A  66          1H5*        A  66   7.841 -15.569  -4.544
  707   2H5*    A  66          2H5*        A  66   7.758 -14.183  -3.439
  708    H4*    A  66           H4*        A  66   5.789 -14.937  -5.208
  709    H3*    A  66           H3*        A  66   5.809 -13.191  -2.769
  710    H2*    A  66           H2*        A  66   3.473 -13.235  -2.533
  711   2HO*    A  66          2HO*        A  66   3.568 -13.742  -5.276
  712    H1*    A  66           H1*        A  66   2.977 -15.820  -3.215
  713    H8     A  66           H8         A  66   6.225 -15.378  -1.222
  714   1H6     A  66          1H6         A  66   2.769 -16.289   3.817
  715   2H6     A  66          2H6         A  66   4.404 -16.129   3.206
  716    H2     A  66           H2         A  66   0.002 -15.954   0.274
  717   1H5*    C  67          1H5*        C  67   3.361 -11.240  -4.769
  718   2H5*    C  67          2H5*        C  67   3.302  -9.474  -4.603
  719    H4*    C  67           H4*        C  67   1.505 -10.721  -3.349
  720    H3*    C  67           H3*        C  67   3.415  -8.886  -1.891
  721    H2*    C  67           H2*        C  67   2.395  -9.417   0.152
  722   2HO*    C  67          2HO*        C  67   0.249 -10.875  -0.687
  723    H1*    C  67           H1*        C  67   1.774 -12.080  -0.400
  724   1H4     C  67          1H4         C  67   6.890 -12.171   3.402
  725   2H4     C  67          2H4         C  67   7.928 -11.775   2.049
  726    H5     C  67           H5         C  67   7.091 -11.318  -0.166
  727    H6     C  67           H6         C  67   5.078 -11.090  -1.546
  728   1H5*    U  68          1H5*        U  68   0.217  -8.324  -0.043
  729   2H5*    U  68          2H5*        U  68  -0.501  -6.717  -0.265
  730    H4*    U  68           H4*        U  68  -0.584  -6.981   2.043
  731    H3*    U  68           H3*        U  68   2.012  -5.562   1.393
  732    H2*    U  68           H2*        U  68   2.541  -5.547   3.688
  733   2HO*    U  68          2HO*        U  68  -0.225  -6.069   4.114
  734    H1*    U  68           H1*        U  68   1.425  -8.026   4.323
  735    H3     U  68           H3         U  68   5.784  -8.816   5.145
  736    H5     U  68           H5         U  68   5.651  -8.289   0.963
  737    H6     U  68           H6         U  68   3.304  -7.710   1.178
  738   1H5*    U  69          1H5*        U  69   0.318  -4.165   4.424
  739   2H5*    U  69          2H5*        U  69  -0.077  -2.448   4.635
  740    H4*    U  69           H4*        U  69   0.995  -3.056   6.640
  741    H3*    U  69           H3*        U  69   3.035  -1.782   4.793
  742    H2*    U  69           H2*        U  69   4.642  -2.070   6.472
  743   2HO*    U  69          2HO*        U  69   3.569  -2.831   8.662
  744    H1*    U  69           H1*        U  69   3.583  -4.453   7.546
  745    H3     U  69           H3         U  69   7.688  -5.869   6.333
  746    H5     U  69           H5         U  69   5.905  -4.799   2.670
  747    H6     U  69           H6         U  69   3.994  -3.974   3.914
  748   1H5*    G  70          1H5*        G  70   3.207  -0.509   8.360
  749   2H5*    G  70          2H5*        G  70   3.567   1.173   8.796
  750    H4*    G  70           H4*        G  70   5.211  -0.247   9.831
  751    H3*    G  70           H3*        G  70   6.305   1.267   7.443
  752    H2*    G  70           H2*        G  70   8.372   0.246   7.788
  753   2HO*    G  70          2HO*        G  70   7.623  -0.443  10.444
  754    H1*    G  70           H1*        G  70   7.378  -2.123   9.018
  755    H8     G  70           H8         G  70   6.304  -1.126   5.436
  756    H1     G  70           H1         G  70  11.420  -4.957   5.810
  757   1H2     G  70          1H2         G  70  12.006  -5.220   7.939
  758   2H2     G  70          2H2         G  70  11.137  -4.456   9.249
  759   1H5*    G  71          1H5*        G  71   8.263   2.568  11.673
  760   2H5*    G  71          2H5*        G  71   8.884   4.201  11.357
  761    H4*    G  71           H4*        G  71  10.514   2.735  12.540
  762    H3*    G  71           H3*        G  71  11.204   3.851   9.822
  763    H2*    G  71           H2*        G  71  13.253   2.692   9.813
  764   2HO*    G  71          2HO*        G  71  13.110   3.096  12.457
  765    H1*    G  71           H1*        G  71  12.398   0.349  10.943
  766    H8     G  71           H8         G  71   9.774   1.730   8.557
  767    H1     G  71           H1         G  71  14.450  -1.501   5.613
  768   1H2     G  71          1H2         G  71  16.058  -1.997   7.069
  769   2H2     G  71          2H2         G  71  15.994  -1.508   8.745
  770   1H5*    U  72          1H5*        U  72  14.893   4.792  11.899
  771   2H5*    U  72          2H5*        U  72  15.028   6.555  11.749
  772    H4*    U  72           H4*        U  72  17.099   5.609  11.006
  773    H3*    U  72           H3*        U  72  15.360   6.558   8.719
  774    H2*    U  72           H2*        U  72  16.977   5.826   7.186
  775   2HO*    U  72          2HO*        U  72  18.879   5.533   9.276
  776    H1*    U  72           H1*        U  72  17.874   3.595   8.607
  777    H3     U  72           H3         U  72  16.170   1.785   4.822
  778    H5     U  72           H5         U  72  12.774   3.134   6.926
  779    H6     U  72           H6         U  72  14.266   4.148   8.550
  780   1H5*    U  73          1H5*        U  73  19.462   8.233   8.277
  781   2H5*    U  73          2H5*        U  73  19.298   9.886   7.653
  782    H4*    U  73           H4*        U  73  20.849   8.494   6.305
  783    H3*    U  73           H3*        U  73  18.320   9.489   4.967
  784    H2*    U  73           H2*        U  73  19.032   8.475   2.958
  785   2HO*    U  73          2HO*        U  73  21.545   7.719   3.932
  786    H1*    U  73           H1*        U  73  20.076   6.177   4.082
  787    H3     U  73           H3         U  73  16.437   4.685   1.859
  788    H5     U  73           H5         U  73  14.842   6.675   5.219
  789    H6     U  73           H6         U  73  17.083   7.441   5.743
  790   1H5*    C  74          1H5*        C  74  21.409  10.402   2.398
  791   2H5*    C  74          2H5*        C  74  21.175  11.949   1.562
  792    H4*    C  74           H4*        C  74  21.373  10.079  -0.022
  793    H3*    C  74           H3*        C  74  18.640  11.399   0.097
  794    H2*    C  74           H2*        C  74  17.986   9.980  -1.679
  795   2HO*    C  74          2HO*        C  74  19.681   8.683  -2.759
  796    H1*    C  74           H1*        C  74  19.399   7.733  -0.825
  797   1H4     C  74          1H4         C  74  13.433   6.575   1.016
  798   2H4     C  74          2H4         C  74  13.556   7.772   2.286
  799    H5     C  74           H5         C  74  15.488   9.173   2.595
  800    H6     C  74           H6         C  74  17.720   9.735   1.752
  801   1H5*    U  75          1H5*        U  75  20.156  12.084  -3.596
  802   2H5*    U  75          2H5*        U  75  19.610  13.436  -4.610
  803    H4*    U  75           H4*        U  75  18.772  11.219  -5.378
  804    H3*    U  75           H3*        U  75  16.742  13.281  -4.477
  805    H2*    U  75           H2*        U  75  15.029  11.763  -4.926
  806   2HO*    U  75          2HO*        U  75  16.753  10.156  -6.504
  807    H1*    U  75           H1*        U  75  16.541   9.394  -4.482
  808    H3     U  75           H3         U  75  12.815   8.942  -1.926
  809    H5     U  75           H5         U  75  15.225  11.696   0.165
  810    H6     U  75           H6         U  75  16.705  11.757  -1.755
  811   1H5*    U  76          1H5*        U  76  16.159  12.460  -8.797
  812   2H5*    U  76          2H5*        U  76  15.812  13.938  -9.716
  813    H4*    U  76           H4*        U  76  14.141  12.238 -10.215
  814    H3*    U  76           H3*        U  76  13.224  14.651  -8.671
  815    H2*    U  76           H2*        U  76  11.112  13.757  -8.303
  816   2HO*    U  76          2HO*        U  76  10.087  12.488  -9.733
  817    H1*    U  76           H1*        U  76  11.765  11.024  -8.317
  818    H3     U  76           H3         U  76   9.904  11.553  -4.227
  819    H5     U  76           H5         U  76  13.591  13.576  -3.947
  820    H6     U  76           H6         U  76  13.899  13.209  -6.324
  821   1H5*    C  77          1H5*        C  77   9.312  16.145 -11.642
  822   2H5*    C  77          2H5*        C  77   9.329  16.747  -9.972
  823    H4*    C  77           H4*        C  77   7.810  14.460 -11.174
  824    H3*    C  77           H3*        C  77   7.201  16.804  -9.404
  825    H2*    C  77           H2*        C  77   5.753  15.598  -8.033
  826   2HO*    C  77          2HO*        C  77   4.564  14.774  -9.885
  827    H1*    C  77           H1*        C  77   6.952  13.107  -8.114
  828   1H4     C  77          1H4         C  77   8.671  15.872  -2.610
  829   2H4     C  77          2H4         C  77  10.124  16.455  -3.389
  830    H5     C  77           H5         C  77  10.543  16.214  -5.746
  831    H6     C  77           H6         C  77   9.661  15.364  -7.870
  832   1H5*    C  78          1H5*        C  78   2.594  15.360 -10.360
  833   2H5*    C  78          2H5*        C  78   2.247  16.990 -10.971
  834    H4*    C  78           H4*        C  78   0.700  16.133  -9.150
  835    H3*    C  78           H3*        C  78   2.180  18.747  -8.935
  836    H2*    C  78           H2*        C  78   1.507  19.060  -6.736
  837   2HO*    C  78          2HO*        C  78  -0.419  17.998  -5.924
  838    H1*    C  78           H1*        C  78   1.119  16.348  -6.003
  839   1H4     C  78          1H4         C  78   6.150  18.228  -2.593
  840   2H4     C  78          2H4         C  78   7.140  18.284  -4.034
  841    H5     C  78           H5         C  78   6.283  17.866  -6.241
  842    H6     C  78           H6         C  78   4.288  17.319  -7.555
  843   1H5*    U  79          1H5*        U  79  -3.124  19.890  -8.168
  844   2H5*    U  79          2H5*        U  79  -2.475  21.538  -8.051
  845    H4*    U  79           H4*        U  79  -3.745  20.025  -6.027
  846    H3*    U  79           H3*        U  79  -2.404  22.710  -6.168
  847    H2*    U  79           H2*        U  79  -1.984  22.776  -3.897
  848   2HO*    U  79          2HO*        U  79  -3.364  21.840  -2.385
  849    H1*    U  79           H1*        U  79  -2.070  19.984  -3.331
  850    H3     U  79           H3         U  79   1.751  21.614  -1.421
  851    H5     U  79           H5         U  79   2.632  21.222  -5.525
  852    H6     U  79           H6         U  79   0.281  20.760  -5.917
  853   1H5*    A  80          1H5*        A  80  -5.418  25.980  -4.172
  854   2H5*    A  80          2H5*        A  80  -3.798  26.607  -4.538
  855    H4*    A  80           H4*        A  80  -4.866  25.445  -1.976
  856    H3*    A  80           H3*        A  80  -4.332  28.051  -2.675
  857    H2*    A  80           H2*        A  80  -2.013  27.947  -2.956
  858   2HO*    A  80          2HO*        A  80  -1.938  27.807  -0.128
  859    H1*    A  80           H1*        A  80  -1.537  25.915  -0.827
  860    H8     A  80           H8         A  80  -1.408  25.964  -4.729
  861   1H6     A  80          1H6         A  80   4.578  24.629  -3.999
  862   2H6     A  80          2H6         A  80   3.297  24.903  -5.158
  863    H2     A  80           H2         A  80   2.757  25.086   0.085
  864   1H5*    A  81          1H5*        A  81  -7.510  28.147   2.033
  865   2H5*    A  81          2H5*        A  81  -5.960  28.993   1.856
  866    H4*    A  81           H4*        A  81  -6.981  27.626   4.135
  867    H3*    A  81           H3*        A  81  -4.512  29.188   3.477
  868    H2*    A  81           H2*        A  81  -3.194  28.141   5.089
  869   2HO*    A  81          2HO*        A  81  -4.952  28.510   6.702
  870    H1*    A  81           H1*        A  81  -4.264  25.606   5.061
  871    H8     A  81           H8         A  81  -4.005  26.392   1.453
  872   1H6     A  81          1H6         A  81   2.054  25.249   1.812
  873   2H6     A  81          2H6         A  81   0.700  25.505   0.735
  874    H2     A  81           H2         A  81   0.452  25.537   6.002
  875   1H5*    G  82          1H5*        G  82  -3.904  32.277   8.005
  876   2H5*    G  82          2H5*        G  82  -3.098  32.237   6.424
  877    H4*    G  82           H4*        G  82  -2.481  30.704   8.930
  878    H3*    G  82           H3*        G  82  -1.013  32.500   7.069
  879    H2*    G  82           H2*        G  82   0.838  31.132   6.779
  880   2HO*    G  82          2HO*        G  82   1.153  29.340   8.402
  881    H1*    G  82           H1*        G  82  -0.263  28.625   7.038
  882    H8     G  82           H8         G  82  -2.714  30.272   4.831
  883    H1     G  82           H1         G  82   2.767  29.065   1.752
  884   1H2     G  82          1H2         G  82   4.364  28.561   3.210
  885   2H2     G  82          2H2         G  82   4.082  28.521   4.935
  886   1H5*    U  83          1H5*        U  83   1.980  32.332   9.622
  887   2H5*    U  83          2H5*        U  83   2.346  33.890  10.389
  888    H4*    U  83           H4*        U  83   4.343  33.205   9.298
  889    H3*    U  83           H3*        U  83   2.848  35.360   7.822
  890    H2*    U  83           H2*        U  83   4.271  35.236   5.975
  891   2HO*    U  83          2HO*        U  83   6.339  34.019   6.228
  892    H1*    U  83           H1*        U  83   4.836  32.526   6.007
  893    H3     U  83           H3         U  83   2.551  33.088   2.131
  894    H5     U  83           H5         U  83  -0.404  33.345   5.128
  895    H6     U  83           H6         U  83   1.366  33.291   6.786
  896   1H5*    C  84          1H5*        C  84   6.900  36.192   7.786
  897   2H5*    C  84          2H5*        C  84   7.354  37.858   8.194
  898    H4*    C  84           H4*        C  84   8.388  37.213   6.090
  899    H3*    C  84           H3*        C  84   6.186  39.272   5.912
  900    H2*    C  84           H2*        C  84   6.340  39.309   3.582
  901   2HO*    C  84          2HO*        C  84   8.209  38.539   2.482
  902    H1*    C  84           H1*        C  84   7.052  36.639   3.168
  903   1H4     C  84          1H4         C  84   0.923  36.926   1.509
  904   2H4     C  84          2H4         C  84   0.443  37.135   3.178
  905    H5     C  84           H5         C  84   2.018  37.330   4.990
  906    H6     C  84           H6         C  84   4.393  37.390   5.591
  907   1H5*    C  85          1H5*        C  85   9.298  40.156   3.634
  908   2H5*    C  85          2H5*        C  85  10.130  41.708   3.861
  909    H4*    C  85           H4*        C  85   9.888  41.435   1.516
  910    H3*    C  85           H3*        C  85   7.831  43.336   2.646
  911    H2*    C  85           H2*        C  85   6.853  43.584   0.526
  912   2HO*    C  85          2HO*        C  85   9.271  42.490  -0.509
  913    H1*    C  85           H1*        C  85   7.195  40.985  -0.375
  914   1H4     C  85          1H4         C  85   1.148  41.147   1.593
  915   2H4     C  85          2H4         C  85   1.659  41.212   3.264
  916    H5     C  85           H5         C  85   3.963  41.339   3.936
  917    H6     C  85           H6         C  85   6.284  41.450   3.154
  918   1H5*    U  86          1H5*        U  86   8.770  44.506  -0.978
  919   2H5*    U  86          2H5*        U  86   9.207  46.221  -1.101
  920    H4*    U  86           H4*        U  86   7.418  45.605  -2.684
  921    H3*    U  86           H3*        U  86   6.876  47.605  -0.523
  922    H2*    U  86           H2*        U  86   4.613  47.403  -0.693
  923   2HO*    U  86          2HO*        U  86   3.895  47.022  -3.118
  924    H1*    U  86           H1*        U  86   4.659  45.179  -2.644
  925    H3     U  86           H3         U  86   0.699  44.236  -0.755
  926    H5     U  86           H5         U  86   3.405  44.038   2.477
  927    H6     U  86           H6         U  86   5.135  44.853   0.981
  928    H3T    U  86           H3T        U  86   7.316  48.892  -2.129
  929   1HO1  MN6 101          1HO1      MN6 101   5.450 -43.181   0.071
  930   2HO1  MN6 101          2HO1      MN6 101   6.172 -42.469  -1.125
  931   1HO2  MN6 101          1HO2      MN6 101   2.040 -40.148  -1.931
  932   2HO2  MN6 101          2HO2      MN6 101   2.349 -39.309  -0.643
  933   1HO3  MN6 101          1HO3      MN6 101   2.361 -41.751   1.199
  934   2HO3  MN6 101          2HO3      MN6 101   3.719 -42.480   1.482
  935   1HO4  MN6 101          1HO4      MN6 101   4.310 -39.655  -2.537
  936   2HO4  MN6 101          2HO4      MN6 101   5.609 -40.511  -2.346
  937   1HO5  MN6 101          1HO5      MN6 101   4.030 -39.166   0.802
  938   2HO5  MN6 101          2HO5      MN6 101   5.419 -39.886   0.895
  939   1HO6  MN6 101          1HO6      MN6 101   3.340 -43.451  -1.515
  940   2HO6  MN6 101          2HO6      MN6 101   3.996 -42.645  -2.689
  941   1HO1  MN6 102          1HO1      MN6 102   6.860 -28.725 -11.441
  942   2HO1  MN6 102          2HO1      MN6 102   7.536 -28.081 -10.182
  943   1HO2  MN6 102          1HO2      MN6 102   2.821 -29.582  -9.052
  944   2HO2  MN6 102          2HO2      MN6 102   3.098 -28.245  -8.283
  945   1HO3  MN6 102          1HO3      MN6 102   5.218 -31.052  -8.120
  946   2HO3  MN6 102          2HO3      MN6 102   6.426 -31.099  -9.118
  947   1HO4  MN6 102          1HO4      MN6 102   5.006 -27.440 -11.419
  948   2HO4  MN6 102          2HO4      MN6 102   4.233 -26.793 -10.219
  949   1HO5  MN6 102          1HO5      MN6 102   3.802 -30.189 -11.227
  950   2HO5  MN6 102          2HO5      MN6 102   4.563 -31.250 -10.360
  951   1HO6  MN6 102          1HO6      MN6 102   6.269 -26.975  -8.503
  952   2HO6  MN6 102          2HO6      MN6 102   5.201 -27.525  -7.495
  953   1HO1  MN6 103          1HO1      MN6 103  -8.271 -14.062  -1.472
  954   2HO1  MN6 103          2HO1      MN6 103  -7.559 -14.574  -0.172
  955   1HO2  MN6 103          1HO2      MN6 103 -12.366 -16.046  -0.268
  956   2HO2  MN6 103          2HO2      MN6 103 -11.845 -16.182   1.204
  957   1HO3  MN6 103          1HO3      MN6 103 -10.136 -15.961  -2.780
  958   2HO3  MN6 103          2HO3      MN6 103 -11.536 -15.574  -2.193
  959   1HO4  MN6 103          1HO4      MN6 103  -8.944 -14.721   1.767
  960   2HO4  MN6 103          2HO4      MN6 103  -8.629 -16.256   1.741
  961   1HO5  MN6 103          1HO5      MN6 103  -9.917 -13.104  -0.351
  962   2HO5  MN6 103          2HO5      MN6 103 -10.834 -13.558   0.837
  963   1HO6  MN6 103          1HO6      MN6 103  -8.502 -17.340  -1.364
  964   2HO6  MN6 103          2HO6      MN6 103  -9.012 -17.919   0.001
  965   1HO1  MN6 104          1HO1      MN6 104 -11.694  -1.197  -2.690
  966   2HO1  MN6 104          2HO1      MN6 104 -11.315   0.129  -1.944
  967   1HO2  MN6 104          1HO2      MN6 104  -9.430  -2.316   1.637
  968   2HO2  MN6 104          2HO2      MN6 104  -9.722  -3.678   0.918
  969   1HO3  MN6 104          1HO3      MN6 104  -9.878   0.665  -0.346
  970   2HO3  MN6 104          2HO3      MN6 104 -10.669   0.085   0.878
  971   1HO4  MN6 104          1HO4      MN6 104  -9.388  -4.006  -1.491
  972   2HO4  MN6 104          2HO4      MN6 104  -9.842  -3.160  -2.730
  973   1HO5  MN6 104          1HO5      MN6 104  -7.657  -1.974  -1.269
  974   2HO5  MN6 104          2HO5      MN6 104  -7.993  -0.468  -0.988
  975   1HO6  MN6 104          1HO6      MN6 104 -12.152  -2.952   0.098
  976   2HO6  MN6 104          2HO6      MN6 104 -11.918  -1.661   0.957
  977   1HO1  MN6 105          1HO1      MN6 105 -14.181  12.932   5.036
  978   2HO1  MN6 105          2HO1      MN6 105 -13.592  14.222   5.704
  979   1HO2  MN6 105          1HO2      MN6 105  -9.952  11.086   6.273
  980   2HO2  MN6 105          2HO2      MN6 105 -10.147  11.500   7.773
  981   1HO3  MN6 105          1HO3      MN6 105 -10.506  12.345   4.599
  982   2HO3  MN6 105          2HO3      MN6 105 -11.807  11.663   4.052
  983   1HO4  MN6 105          1HO4      MN6 105 -13.902  11.324   7.983
  984   2HO4  MN6 105          2HO4      MN6 105 -12.506  11.160   8.677
  985   1HO5  MN6 105          1HO5      MN6 105 -12.412   9.946   5.293
  986   2HO5  MN6 105          2HO5      MN6 105 -13.653  10.821   4.906
  987   1HO6  MN6 105          1HO6      MN6 105 -11.919  14.562   7.020
  988   2HO6  MN6 105          2HO6      MN6 105 -10.859  13.740   7.831
  989   1HO1  MN6 106          1HO1      MN6 106  -3.644  41.203   3.787
  990   2HO1  MN6 106          2HO1      MN6 106  -4.518  42.076   2.822
  991   1HO2  MN6 106          1HO2      MN6 106  -0.824  39.761   0.234
  992   2HO2  MN6 106          2HO2      MN6 106  -2.057  39.926  -0.721
  993   1HO3  MN6 106          1HO3      MN6 106  -0.375  41.218   2.672
  994   2HO3  MN6 106          2HO3      MN6 106  -0.764  39.706   2.538
  995   1HO4  MN6 106          1HO4      MN6 106  -4.052  42.798   0.501
  996   2HO4  MN6 106          2HO4      MN6 106  -4.639  41.387   0.151
  997   1HO5  MN6 106          1HO5      MN6 106  -1.952  43.522   0.896
  998   2HO5  MN6 106          2HO5      MN6 106  -1.406  43.197   2.329
  999   1HO6  MN6 106          1HO6      MN6 106  -4.165  39.279   1.139
 1000   2HO6  MN6 106          2HO6      MN6 106  -2.771  38.672   1.518
 1001   1HO1  MN6 107          1HO1      MN6 107  -2.696  26.920  -7.097
 1002   2HO1  MN6 107          2HO1      MN6 107  -2.003  28.006  -6.204
 1003   1HO2  MN6 107          1HO2      MN6 107  -2.844  30.953  -9.921
 1004   2HO2  MN6 107          2HO2      MN6 107  -1.451  30.479 -10.458
 1005   1HO3  MN6 107          1HO3      MN6 107  -4.452  28.216  -9.340
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.405  27.525 -10.280
 1007   1HO4  MN6 107          1HO4      MN6 107   0.090  29.189  -7.631
 1008   2HO4  MN6 107          2HO4      MN6 107  -0.055  30.200  -8.822
 1009   1HO5  MN6 107          1HO5      MN6 107  -0.047  27.772  -9.551
 1010   2HO5  MN6 107          2HO5      MN6 107  -1.211  26.722  -9.535
 1011   1HO6  MN6 107          1HO6      MN6 107  -3.120  30.086  -6.714
 1012   2HO6  MN6 107          2HO6      MN6 107  -4.264  29.407  -7.543
 1013   1HO1  MN6 108          1HO1      MN6 108   8.842  17.113   1.011
 1014   2HO1  MN6 108          2HO1      MN6 108  10.245  16.481   0.715
 1015   1HO2  MN6 108          1HO2      MN6 108   8.776  12.724   3.335
 1016   2HO2  MN6 108          2HO2      MN6 108   9.101  13.597   4.596
 1017   1HO3  MN6 108          1HO3      MN6 108   6.717  15.325   3.279
 1018   2HO3  MN6 108          2HO3      MN6 108   7.383  16.743   3.342
 1019   1HO4  MN6 108          1HO4      MN6 108  11.252  14.318   3.545
 1020   2HO4  MN6 108          2HO4      MN6 108  11.565  15.207   2.293
 1021   1HO5  MN6 108          1HO5      MN6 108   9.066  15.937   5.012
 1022   2HO5  MN6 108          2HO5      MN6 108  10.471  16.303   4.420
 1023   1HO6  MN6 108          1HO6      MN6 108   8.251  13.267   1.255
 1024   2HO6  MN6 108          2HO6      MN6 108   9.203  14.131   0.359
 1025   1HO1  MN6 109          1HO1      MN6 109   8.218   2.511   3.652
 1026   2HO1  MN6 109          2HO1      MN6 109   9.555   1.897   4.190
 1027   1HO2  MN6 109          1HO2      MN6 109   9.498  -0.585   0.043
 1028   2HO2  MN6 109          2HO2      MN6 109   8.975   0.686  -0.711
 1029   1HO3  MN6 109          1HO3      MN6 109  10.795   3.297   1.057
 1030   2HO3  MN6 109          2HO3      MN6 109  11.565   2.476   2.148
 1031   1HO4  MN6 109          1HO4      MN6 109   6.991   1.208   2.243
 1032   2HO4  MN6 109          2HO4      MN6 109   7.612  -0.215   2.454
 1033   1HO5  MN6 109          1HO5      MN6 109   8.439   3.678   1.333
 1034   2HO5  MN6 109          2HO5      MN6 109   7.635   2.707   0.402
 1035   1HO6  MN6 109          1HO6      MN6 109  10.970  -0.491   1.970
 1036   2HO6  MN6 109          2HO6      MN6 109  11.002   0.422   3.243
 1037   1HO1  MN6 110          1HO1      MN6 110  11.376 -13.302  10.246
 1038   2HO1  MN6 110          2HO1      MN6 110  11.246 -14.328   9.068
 1039   1HO2  MN6 110          1HO2      MN6 110   9.030 -10.506   6.797
 1040   2HO2  MN6 110          2HO2      MN6 110   7.857 -11.440   7.253
 1041   1HO3  MN6 110          1HO3      MN6 110  12.276 -11.765   7.495
 1042   2HO3  MN6 110          2HO3      MN6 110  11.247 -11.055   6.550
 1043   1HO4  MN6 110          1HO4      MN6 110   8.496 -12.327  10.362
 1044   2HO4  MN6 110          2HO4      MN6 110   8.817 -13.783   9.878
 1045   1HO5  MN6 110          1HO5      MN6 110  10.419  -9.899   9.465
 1046   2HO5  MN6 110          2HO5      MN6 110  11.266 -10.964  10.241
 1047   1HO6  MN6 110          1HO6      MN6 110   9.225 -13.071   6.263
 1048   2HO6  MN6 110          2HO6      MN6 110  10.696 -13.542   6.529
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   8.033 -42.981  -1.414
    2   2H5*    G   1          2H5*        G   1   7.935 -41.324  -2.045
    3    H4*    G   1           H4*        G   1   8.156 -42.931  -3.874
    4    H3*    G   1           H3*        G   1   5.653 -41.316  -3.635
    5    H2*    G   1           H2*        G   1   4.453 -42.559  -5.207
    6   2HO*    G   1          2HO*        G   1   6.917 -42.837  -6.315
    7    H1*    G   1           H1*        G   1   5.378 -45.070  -4.683
    8    H8     G   1           H8         G   1   5.091 -43.580  -1.286
    9    H1     G   1           H1         G   1  -0.648 -44.934  -3.784
   10   1H2     G   1          1H2         G   1  -0.443 -45.405  -5.944
   11   2H2     G   1          2H2         G   1   1.099 -45.381  -6.770
   12    H5T    G   1           H5T        G   1   5.972 -41.152  -1.319
   13   1H5*    G   2          1H5*        G   2   5.540 -42.018  -7.333
   14   2H5*    G   2          2H5*        G   2   5.775 -40.579  -8.345
   15    H4*    G   2           H4*        G   2   3.804 -41.723  -9.114
   16    H3*    G   2           H3*        G   2   3.266 -39.168  -7.605
   17    H2*    G   2           H2*        G   2   0.966 -39.520  -7.687
   18   2HO*    G   2          2HO*        G   2   0.093 -40.091  -9.504
   19    H1*    G   2           H1*        G   2   0.971 -42.342  -7.762
   20    H8     G   2           H8         G   2   2.961 -40.929  -4.856
   21    H1     G   2           H1         G   2  -3.328 -41.304  -3.714
   22   1H2     G   2          1H2         G   2  -4.411 -41.802  -5.587
   23   2H2     G   2          2H2         G   2  -3.589 -42.041  -7.112
   24   1H5*    G   3          1H5*        G   3   1.005 -39.007 -10.915
   25   2H5*    G   3          2H5*        G   3   1.098 -37.536 -11.905
   26    H4*    G   3           H4*        G   3  -1.216 -37.954 -11.356
   27    H3*    G   3           H3*        G   3   0.044 -35.614  -9.930
   28    H2*    G   3           H2*        G   3  -1.865 -35.271  -8.645
   29   2HO*    G   3          2HO*        G   3  -3.094 -36.149 -10.940
   30    H1*    G   3           H1*        G   3  -2.810 -37.926  -8.563
   31    H8     G   3           H8         G   3   0.828 -37.334  -7.491
   32    H1     G   3           H1         G   3  -3.460 -36.801  -2.766
   33   1H2     G   3          1H2         G   3  -5.512 -36.882  -3.598
   34   2H2     G   3          2H2         G   3  -5.830 -37.061  -5.307
   35   1H5*    A   4          1H5*        A   4  -3.804 -34.530 -11.454
   36   2H5*    A   4          2H5*        A   4  -3.707 -33.049 -12.428
   37    H4*    A   4           H4*        A   4  -5.569 -32.807 -10.943
   38    H3*    A   4           H3*        A   4  -3.154 -31.179 -10.176
   39    H2*    A   4           H2*        A   4  -4.143 -30.482  -8.181
   40   2HO*    A   4          2HO*        A   4  -6.685 -31.271  -8.337
   41    H1*    A   4           H1*        A   4  -5.668 -32.750  -7.620
   42    H8     A   4           H8         A   4  -1.934 -33.076  -8.602
   43   1H6     A   4          1H6         A   4  -0.849 -33.271  -2.527
   44   2H6     A   4          2H6         A   4  -0.140 -33.399  -4.121
   45    H2     A   4           H2         A   4  -5.238 -32.487  -3.120
   46   1H5*    U   5          1H5*        U   5  -6.612 -28.870  -9.287
   47   2H5*    U   5          2H5*        U   5  -6.340 -27.204  -9.837
   48    H4*    U   5           H4*        U   5  -6.932 -27.382  -7.419
   49    H3*    U   5           H3*        U   5  -4.316 -26.171  -8.293
   50    H2*    U   5           H2*        U   5  -3.512 -26.003  -6.125
   51   2HO*    U   5          2HO*        U   5  -4.905 -25.924  -4.310
   52    H1*    U   5           H1*        U   5  -4.853 -28.178  -4.968
   53    H3     U   5           H3         U   5  -0.631 -29.563  -4.298
   54    H5     U   5           H5         U   5  -0.951 -29.429  -8.500
   55    H6     U   5           H6         U   5  -3.171 -28.484  -8.234
   56   1H5*    A   6          1H5*        A   6  -5.621 -22.596  -5.281
   57   2H5*    A   6          2H5*        A   6  -5.526 -24.351  -5.041
   58    H4*    A   6           H4*        A   6  -7.476 -24.099  -3.416
   59    H3*    A   6           H3*        A   6  -7.666 -21.484  -4.269
   60    H2*    A   6           H2*        A   6  -5.700 -20.602  -3.366
   61   2HO*    A   6          2HO*        A   6  -6.855 -20.761  -0.821
   62    H1*    A   6           H1*        A   6  -5.670 -22.337  -0.943
   63    H8     A   6           H8         A   6  -3.617 -21.825  -4.224
   64   1H6     A   6          1H6         A   6   1.190 -21.062  -0.418
   65   2H6     A   6          2H6         A   6   0.673 -21.090  -2.088
   66    H2     A   6           H2         A   6  -2.454 -21.853   2.088
   67   1H5*    U   7          1H5*        U   7  -7.721 -22.609  -0.210
   68   2H5*    U   7          2H5*        U   7  -9.371 -22.595   0.444
   69    H4*    U   7           H4*        U   7  -8.678 -21.344   2.375
   70    H3*    U   7           H3*        U   7  -6.137 -20.881   0.847
   71    H2*    U   7           H2*        U   7  -4.783 -21.382   2.644
   72   2HO*    U   7          2HO*        U   7  -6.280 -21.154   4.820
   73    H1*    U   7           H1*        U   7  -6.624 -22.909   4.205
   74    H3     U   7           H3         U   7  -4.212 -26.665   3.958
   75    H5     U   7           H5         U   7  -3.046 -24.574   0.490
   76    H6     U   7           H6         U   7  -4.671 -22.862   1.052
   77   1H5*    G   8          1H5*        G   8  -3.807 -20.210   4.219
   78   2H5*    G   8          2H5*        G   8  -4.229 -18.531   4.611
   79    H4*    G   8           H4*        G   8  -1.775 -18.919   4.347
   80    H3*    G   8           H3*        G   8  -3.252 -16.935   2.646
   81    H2*    G   8           H2*        G   8  -1.439 -16.564   1.242
   82   2HO*    G   8          2HO*        G   8   0.127 -16.029   2.684
   83    H1*    G   8           H1*        G   8  -0.225 -19.064   1.337
   84    H8     G   8           H8         G   8  -3.861 -19.639   0.681
   85    H1     G   8           H1         G   8  -0.747 -17.550  -4.506
   86   1H2     G   8          1H2         G   8   1.275 -16.837  -3.942
   87   2H2     G   8          2H2         G   8   1.859 -16.875  -2.294
   88   1H5*    G   9          1H5*        G   9  -3.304 -12.678   3.132
   89   2H5*    G   9          2H5*        G   9  -4.187 -13.370   1.755
   90    H4*    G   9           H4*        G   9  -1.308 -12.566   1.982
   91    H3*    G   9           H3*        G   9  -3.566 -12.103   0.066
   92    H2*    G   9           H2*        G   9  -2.215 -12.310  -1.835
   93   2HO*    G   9          2HO*        G   9   0.253 -12.447  -0.626
   94    H1*    G   9           H1*        G   9  -0.546 -14.305  -1.031
   95    H8     G   9           H8         G   9  -3.524 -15.779   0.369
   96    H1     G   9           H1         G   9  -4.066 -15.484  -6.003
   97   1H2     G   9          1H2         G   9  -2.529 -14.107  -6.830
   98   2H2     G   9          2H2         G   9  -1.377 -13.265  -5.821
   99   1H5*    A  10          1H5*        A  10  -0.895  -9.098  -0.433
  100   2H5*    A  10          2H5*        A  10  -1.266  -7.364  -0.347
  101    H4*    A  10           H4*        A  10  -0.316  -7.808  -2.507
  102    H3*    A  10           H3*        A  10  -3.276  -7.268  -2.502
  103    H2*    A  10           H2*        A  10  -3.478  -7.764  -4.779
  104   2HO*    A  10          2HO*        A  10  -0.707  -7.186  -4.854
  105    H1*    A  10           H1*        A  10  -1.592  -9.778  -4.970
  106    H8     A  10           H8         A  10  -3.535 -10.543  -1.875
  107   1H6     A  10          1H6         A  10  -7.971 -12.860  -5.498
  108   2H6     A  10          2H6         A  10  -7.391 -12.706  -3.855
  109    H2     A  10           H2         A  10  -5.045 -10.677  -8.120
  110   1H5*    A  11          1H5*        A  11  -1.359  -4.544  -5.432
  111   2H5*    A  11          2H5*        A  11  -2.162  -2.961  -5.454
  112    H4*    A  11           H4*        A  11  -2.041  -4.094  -7.690
  113    H3*    A  11           H3*        A  11  -4.698  -3.335  -6.478
  114    H2*    A  11           H2*        A  11  -5.854  -4.299  -8.287
  115   2HO*    A  11          2HO*        A  11  -3.721  -4.950  -9.894
  116    H1*    A  11           H1*        A  11  -4.240  -6.494  -8.678
  117    H8     A  11           H8         A  11  -4.700  -5.950  -4.954
  118   1H6     A  11          1H6         A  11  -9.991  -9.102  -5.501
  119   2H6     A  11          2H6         A  11  -8.851  -8.391  -4.379
  120    H2     A  11           H2         A  11  -8.435  -8.275  -9.634
  121   1H5*    G  12          1H5*        G  12  -5.056  -0.937 -10.203
  122   2H5*    G  12          2H5*        G  12  -5.738   0.614  -9.674
  123    H4*    G  12           H4*        G  12  -7.172  -0.606 -11.313
  124    H3*    G  12           H3*        G  12  -8.249  -0.010  -8.551
  125    H2*    G  12           H2*        G  12 -10.262  -1.095  -9.083
  126   2HO*    G  12          2HO*        G  12  -9.815  -1.510 -11.777
  127    H1*    G  12           H1*        G  12  -9.212  -3.100 -10.693
  128    H8     G  12           H8         G  12  -7.166  -2.730  -7.523
  129    H1     G  12           H1         G  12 -12.542  -6.106  -6.712
  130   1H2     G  12          1H2         G  12 -13.821  -5.940  -8.519
  131   2H2     G  12          2H2         G  12 -13.352  -5.000  -9.917
  132   1H5*    A  13          1H5*        A  13 -11.096   0.653 -10.738
  133   2H5*    A  13          2H5*        A  13 -11.590   2.329 -11.054
  134    H4*    A  13           H4*        A  13 -13.652   1.415 -10.672
  135    H3*    A  13           H3*        A  13 -12.603   2.185  -7.948
  136    H2*    A  13           H2*        A  13 -14.414   1.137  -6.899
  137   2HO*    A  13          2HO*        A  13 -16.266   0.456  -8.325
  138    H1*    A  13           H1*        A  13 -14.765  -0.975  -8.677
  139    H8     A  13           H8         A  13 -11.217  -0.088  -7.397
  140   1H6     A  13          1H6         A  13 -12.165  -4.524  -3.206
  141   2H6     A  13          2H6         A  13 -11.006  -3.393  -3.866
  142    H2     A  13           H2         A  13 -15.975  -3.978  -5.526
  143   1H5*    A  14          1H5*        A  14 -17.020   3.095  -8.424
  144   2H5*    A  14          2H5*        A  14 -17.210   4.729  -7.756
  145    H4*    A  14           H4*        A  14 -18.915   3.196  -6.873
  146    H3*    A  14           H3*        A  14 -16.877   4.309  -4.947
  147    H2*    A  14           H2*        A  14 -17.754   3.035  -3.185
  148   2HO*    A  14          2HO*        A  14 -20.070   3.384  -4.571
  149    H1*    A  14           H1*        A  14 -18.415   0.755  -4.597
  150    H8     A  14           H8         A  14 -15.017   2.481  -5.282
  151   1H6     A  14          1H6         A  14 -12.695  -1.530  -1.205
  152   2H6     A  14          2H6         A  14 -12.321  -0.261  -2.349
  153    H2     A  14           H2         A  14 -17.160  -2.071  -1.285
  154   1H5*    C  15          1H5*        C  15 -20.903   4.345  -3.169
  155   2H5*    C  15          2H5*        C  15 -21.138   5.950  -2.448
  156    H4*    C  15           H4*        C  15 -21.756   4.230  -0.846
  157    H3*    C  15           H3*        C  15 -19.211   5.733  -0.200
  158    H2*    C  15           H2*        C  15 -18.919   4.427   1.722
  159   2HO*    C  15          2HO*        C  15 -20.768   3.115   2.498
  160    H1*    C  15           H1*        C  15 -20.061   2.051   0.749
  161   1H4     C  15          1H4         C  15 -13.829   0.827   0.678
  162   2H4     C  15          2H4         C  15 -13.555   2.057  -0.537
  163    H5     C  15           H5         C  15 -15.301   3.475  -1.396
  164    H6     C  15           H6         C  15 -17.682   4.044  -1.256
  165   1H5*    C  16          1H5*        C  16 -21.005   5.470   2.977
  166   2H5*    C  16          2H5*        C  16 -21.183   6.834   4.099
  167    H4*    C  16           H4*        C  16 -19.960   5.186   5.283
  168    H3*    C  16           H3*        C  16 -18.136   7.340   4.196
  169    H2*    C  16           H2*        C  16 -16.273   6.192   4.989
  170   2HO*    C  16          2HO*        C  16 -17.784   4.553   6.719
  171    H1*    C  16           H1*        C  16 -17.374   3.573   4.906
  172   1H4     C  16          1H4         C  16 -12.798   3.501   0.513
  173   2H4     C  16          2H4         C  16 -13.601   4.744  -0.422
  174    H5     C  16           H5         C  16 -15.662   5.796   0.271
  175    H6     C  16           H6         C  16 -17.360   5.920   2.037
  176   1H5*    G  17          1H5*        G  17 -18.359   6.744   9.034
  177   2H5*    G  17          2H5*        G  17 -17.862   8.335   9.644
  178    H4*    G  17           H4*        G  17 -16.845   6.472  10.918
  179    H3*    G  17           H3*        G  17 -15.035   8.332   9.376
  180    H2*    G  17           H2*        G  17 -13.145   7.089  10.015
  181   2HO*    G  17          2HO*        G  17 -14.669   5.574  11.863
  182    H1*    G  17           H1*        G  17 -14.246   4.573   9.846
  183    H8     G  17           H8         G  17 -15.473   6.625   6.934
  184    H1     G  17           H1         G  17  -9.569   4.311   6.072
  185   1H2     G  17          1H2         G  17  -8.795   3.477   7.981
  186   2H2     G  17          2H2         G  17  -9.730   3.493   9.460
  187   1H5*    G  18          1H5*        G  18 -12.653   7.425  12.235
  188   2H5*    G  18          2H5*        G  18 -12.605   8.781  13.378
  189    H4*    G  18           H4*        G  18 -10.353   8.269  13.154
  190    H3*    G  18           H3*        G  18 -11.014  10.410  11.128
  191    H2*    G  18           H2*        G  18  -8.888  10.247  10.196
  192   2HO*    G  18          2HO*        G  18  -7.681   8.819  12.254
  193    H1*    G  18           H1*        G  18  -8.351   7.543  10.892
  194    H8     G  18           H8         G  18 -11.508   7.930   8.850
  195    H1     G  18           H1         G  18  -6.193   7.844   5.287
  196   1H2     G  18          1H2         G  18  -4.403   7.981   6.589
  197   2H2     G  18          2H2         G  18  -4.514   8.097   8.330
  198   1H5*    G  19          1H5*        G  19  -7.109  10.935  12.539
  199   2H5*    G  19          2H5*        G  19  -7.016  12.530  13.311
  200    H4*    G  19           H4*        G  19  -5.088  12.258  11.892
  201    H3*    G  19           H3*        G  19  -7.162  14.193  10.875
  202    H2*    G  19           H2*        G  19  -6.063  14.451   8.849
  203   2HO*    G  19          2HO*        G  19  -3.735  13.920   8.727
  204    H1*    G  19           H1*        G  19  -4.691  11.963   8.781
  205    H8     G  19           H8         G  19  -8.544  12.181   9.022
  206    H1     G  19           H1         G  19  -6.230  11.552   3.085
  207   1H2     G  19          1H2         G  19  -4.012  11.651   3.119
  208   2H2     G  19          2H2         G  19  -3.105  11.873   4.598
  209   1H5*    G  20          1H5*        G  20  -6.335  18.574  10.713
  210   2H5*    G  20          2H5*        G  20  -7.587  18.017   9.584
  211    H4*    G  20           H4*        G  20  -4.608  18.129   9.243
  212    H3*    G  20           H3*        G  20  -7.014  19.057   7.732
  213    H2*    G  20           H2*        G  20  -6.209  18.390   5.636
  214   2HO*    G  20          2HO*        G  20  -4.197  19.076   5.423
  215    H1*    G  20           H1*        G  20  -5.035  16.036   6.286
  216    H8     G  20           H8         G  20  -7.899  15.895   8.587
  217    H1     G  20           H1         G  20  -9.864  15.406   2.518
  218   1H2     G  20          1H2         G  20  -8.225  15.938   1.139
  219   2H2     G  20          2H2         G  20  -6.643  16.422   1.702
  220   1H5*    A  21          1H5*        A  21  -7.965  23.177   7.615
  221   2H5*    A  21          2H5*        A  21  -8.416  21.669   6.794
  222    H4*    A  21           H4*        A  21  -8.683  24.032   5.610
  223    H3*    A  21           H3*        A  21  -8.021  21.358   4.474
  224    H2*    A  21           H2*        A  21  -7.146  22.161   2.465
  225   2HO*    A  21          2HO*        A  21  -8.786  23.475   1.795
  226    H1*    A  21           H1*        A  21  -5.944  24.465   3.289
  227    H8     A  21           H8         A  21  -5.480  21.653   5.840
  228   1H6     A  21          1H6         A  21  -0.437  20.101   2.640
  229   2H6     A  21          2H6         A  21  -1.369  19.807   4.091
  230    H2     A  21           H2         A  21  -2.620  23.268   0.317
  231   1H5*    A  22          1H5*        A  22 -10.302  19.548   0.814
  232   2H5*    A  22          2H5*        A  22  -9.017  19.389   2.027
  233    H4*    A  22           H4*        A  22  -8.807  20.798  -0.656
  234    H3*    A  22           H3*        A  22  -7.938  18.091   0.295
  235    H2*    A  22           H2*        A  22  -5.760  18.318  -0.512
  236   2HO*    A  22          2HO*        A  22  -6.809  20.370  -2.186
  237    H1*    A  22           H1*        A  22  -5.355  21.006  -0.107
  238    H8     A  22           H8         A  22  -6.955  20.066   3.069
  239   1H6     A  22          1H6         A  22  -1.641  17.462   4.823
  240   2H6     A  22          2H6         A  22  -3.212  18.021   5.351
  241    H2     A  22           H2         A  22  -1.397  18.265   0.407
  242   1H5*    A  23          1H5*        A  23  -6.765  17.088  -4.825
  243   2H5*    A  23          2H5*        A  23  -7.074  15.498  -4.100
  244    H4*    A  23           H4*        A  23  -4.655  16.346  -5.083
  245    H3*    A  23           H3*        A  23  -5.418  14.190  -3.131
  246    H2*    A  23           H2*        A  23  -3.203  13.901  -2.410
  247   2HO*    A  23          2HO*        A  23  -2.231  15.523  -4.527
  248    H1*    A  23           H1*        A  23  -2.385  16.506  -2.419
  249    H8     A  23           H8         A  23  -6.000  15.963  -1.234
  250   1H6     A  23          1H6         A  23  -3.644  15.608   4.457
  251   2H6     A  23          2H6         A  23  -5.117  15.711   3.511
  252    H2     A  23           H2         A  23  -0.206  15.761   1.540
  253   1H5*    C  24          1H5*        C  24  -2.982  12.147  -5.333
  254   2H5*    C  24          2H5*        C  24  -3.286  10.420  -5.615
  255    H4*    C  24           H4*        C  24  -1.552  10.919  -3.856
  256    H3*    C  24           H3*        C  24  -4.016   9.306  -3.169
  257    H2*    C  24           H2*        C  24  -3.279   9.113  -0.946
  258   2HO*    C  24          2HO*        C  24  -0.781  10.247  -1.220
  259    H1*    C  24           H1*        C  24  -2.150  11.635  -0.699
  260   1H4     C  24          1H4         C  24  -7.854  11.965   2.121
  261   2H4     C  24          2H4         C  24  -8.638  12.127   0.564
  262    H5     C  24           H5         C  24  -7.445  12.012  -1.531
  263    H6     C  24           H6         C  24  -5.256  11.669  -2.581
  264   1H5*    U  25          1H5*        U  25  -1.133   7.732  -1.406
  265   2H5*    U  25          2H5*        U  25  -0.829   5.989  -1.536
  266    H4*    U  25           H4*        U  25  -0.993   6.626   0.802
  267    H3*    U  25           H3*        U  25  -3.291   4.972  -0.250
  268    H2*    U  25           H2*        U  25  -4.351   5.092   1.829
  269   2HO*    U  25          2HO*        U  25  -2.157   6.094   3.238
  270    H1*    U  25           H1*        U  25  -3.366   7.613   2.624
  271    H3     U  25           H3         U  25  -7.870   8.113   2.783
  272    H5     U  25           H5         U  25  -6.969   8.034  -1.336
  273    H6     U  25           H6         U  25  -4.687   7.455  -0.759
  274   1H5*    U  26          1H5*        U  26  -1.894   3.870   3.185
  275   2H5*    U  26          2H5*        U  26  -1.182   2.269   3.469
  276    H4*    U  26           H4*        U  26  -2.447   2.585   5.392
  277    H3*    U  26           H3*        U  26  -4.130   1.092   3.379
  278    H2*    U  26           H2*        U  26  -5.996   1.216   4.771
  279   2HO*    U  26          2HO*        U  26  -4.716   2.118   7.062
  280    H1*    U  26           H1*        U  26  -5.448   3.671   5.998
  281    H3     U  26           H3         U  26  -9.294   4.794   3.958
  282    H5     U  26           H5         U  26  -6.769   3.766   0.747
  283    H6     U  26           H6         U  26  -5.082   3.117   2.364
  284   1H5*    G  27          1H5*        G  27  -4.852  -0.173   6.849
  285   2H5*    G  27          2H5*        G  27  -5.016  -1.903   7.211
  286    H4*    G  27           H4*        G  27  -7.067  -0.883   7.855
  287    H3*    G  27           H3*        G  27  -7.329  -2.288   5.184
  288    H2*    G  27           H2*        G  27  -9.536  -1.561   5.032
  289   2HO*    G  27          2HO*        G  27  -9.932  -2.457   7.232
  290    H1*    G  27           H1*        G  27  -9.255   0.776   6.636
  291    H8     G  27           H8         G  27  -7.266   0.149   3.357
  292    H1     G  27           H1         G  27 -12.590   3.654   2.766
  293   1H2     G  27          1H2         G  27 -13.651   3.743   4.717
  294   2H2     G  27          2H2         G  27 -13.044   2.942   6.150
  295   1H5*    G  28          1H5*        G  28 -10.321  -3.857   8.687
  296   2H5*    G  28          2H5*        G  28 -10.210  -5.598   8.361
  297    H4*    G  28           H4*        G  28 -12.491  -5.155   8.868
  298    H3*    G  28           H3*        G  28 -11.958  -5.587   5.941
  299    H2*    G  28           H2*        G  28 -14.149  -4.999   5.334
  300   2HO*    G  28          2HO*        G  28 -14.849  -5.240   8.088
  301    H1*    G  28           H1*        G  28 -14.554  -2.929   7.061
  302    H8     G  28           H8         G  28 -10.965  -3.082   5.725
  303    H1     G  28           H1         G  28 -15.024   0.065   1.907
  304   1H2     G  28          1H2         G  28 -17.097  -0.113   2.692
  305   2H2     G  28          2H2         G  28 -17.485  -1.037   4.125
  306   1H5*    U  29          1H5*        U  29 -15.554  -7.157   6.341
  307   2H5*    U  29          2H5*        U  29 -15.602  -8.882   5.926
  308    H4*    U  29           H4*        U  29 -17.348  -7.790   4.696
  309    H3*    U  29           H3*        U  29 -14.958  -8.515   2.993
  310    H2*    U  29           H2*        U  29 -15.921  -7.485   1.146
  311   2HO*    U  29          2HO*        U  29 -18.357  -7.018   1.365
  312    H1*    U  29           H1*        U  29 -17.510  -5.584   2.535
  313    H3     U  29           H3         U  29 -15.186  -3.014  -0.367
  314    H5     U  29           H5         U  29 -12.249  -4.436   2.302
  315    H6     U  29           H6         U  29 -13.949  -5.832   3.324
  316   1H5*    U  30          1H5*        U  30 -19.104  -9.770   1.317
  317   2H5*    U  30          2H5*        U  30 -18.804 -11.288   0.449
  318    H4*    U  30           H4*        U  30 -20.132  -9.637  -0.865
  319    H3*    U  30           H3*        U  30 -17.435 -10.517  -1.919
  320    H2*    U  30           H2*        U  30 -17.728  -9.133  -3.800
  321   2HO*    U  30          2HO*        U  30 -20.329  -9.731  -3.398
  322    H1*    U  30           H1*        U  30 -18.987  -7.024  -2.519
  323    H3     U  30           H3         U  30 -15.045  -5.177  -3.720
  324    H5     U  30           H5         U  30 -14.012  -7.843  -0.620
  325    H6     U  30           H6         U  30 -16.302  -8.652  -0.646
  326   1H5*    C  31          1H5*        C  31 -20.018 -10.823  -5.264
  327   2H5*    C  31          2H5*        C  31 -19.491 -12.192  -6.264
  328    H4*    C  31           H4*        C  31 -19.399  -9.948  -7.404
  329    H3*    C  31           H3*        C  31 -16.872 -11.595  -7.121
  330    H2*    C  31           H2*        C  31 -15.674  -9.914  -8.222
  331   2HO*    C  31          2HO*        C  31 -18.171  -9.363  -9.389
  332    H1*    C  31           H1*        C  31 -17.247  -7.726  -7.361
  333   1H4     C  31          1H4         C  31 -11.753  -7.073  -4.235
  334   2H4     C  31          2H4         C  31 -12.136  -8.443  -3.216
  335    H5     C  31           H5         C  31 -14.104  -9.797  -3.508
  336    H6     C  31           H6         C  31 -16.120 -10.152  -4.858
  337   1H5*    U  32          1H5*        U  32 -16.853 -11.055 -11.430
  338   2H5*    U  32          2H5*        U  32 -16.512 -12.663 -12.100
  339    H4*    U  32           H4*        U  32 -14.840 -11.062 -12.867
  340    H3*    U  32           H3*        U  32 -13.894 -13.176 -10.932
  341    H2*    U  32           H2*        U  32 -11.770 -12.233 -10.842
  342   2HO*    U  32          2HO*        U  32 -12.414 -11.368 -13.435
  343    H1*    U  32           H1*        U  32 -12.480  -9.549 -11.320
  344    H3     U  32           H3         U  32 -10.434  -9.166  -7.332
  345    H5     U  32           H5         U  32 -13.855 -11.461  -6.458
  346    H6     U  32           H6         U  32 -14.336 -11.528  -8.837
  347   1H5*    U  33          1H5*        U  33 -11.449 -12.869 -14.790
  348   2H5*    U  33          2H5*        U  33 -10.765 -14.463 -15.167
  349    H4*    U  33           H4*        U  33  -9.103 -12.573 -15.186
  350    H3*    U  33           H3*        U  33  -8.746 -14.978 -13.410
  351    H2*    U  33           H2*        U  33  -6.923 -14.039 -12.324
  352   2HO*    U  33          2HO*        U  33  -6.587 -12.313 -14.566
  353    H1*    U  33           H1*        U  33  -7.561 -11.310 -12.635
  354    H3     U  33           H3         U  33  -7.188 -11.662  -8.141
  355    H5     U  33           H5         U  33 -10.627 -13.919  -9.052
  356    H6     U  33           H6         U  33 -10.142 -13.593 -11.406
  357   1H5*    C  34          1H5*        C  34  -3.990 -16.056 -15.106
  358   2H5*    C  34          2H5*        C  34  -4.221 -16.805 -13.513
  359    H4*    C  34           H4*        C  34  -2.919 -14.223 -14.252
  360    H3*    C  34           H3*        C  34  -2.349 -16.522 -12.418
  361    H2*    C  34           H2*        C  34  -1.532 -15.184 -10.698
  362   2HO*    C  34          2HO*        C  34  -1.264 -12.992 -12.489
  363    H1*    C  34           H1*        C  34  -3.081 -12.921 -11.034
  364   1H4     C  34          1H4         C  34  -5.644 -16.308  -6.240
  365   2H4     C  34          2H4         C  34  -6.816 -16.937  -7.379
  366    H5     C  34           H5         C  34  -6.708 -16.526  -9.749
  367    H6     C  34           H6         C  34  -5.440 -15.446 -11.545
  368   1H5*    C  35          1H5*        C  35   2.639 -14.952 -12.454
  369   2H5*    C  35          2H5*        C  35   2.806 -16.718 -12.356
  370    H4*    C  35           H4*        C  35   3.526 -14.936 -10.385
  371    H3*    C  35           H3*        C  35   2.919 -17.880 -10.357
  372    H2*    C  35           H2*        C  35   2.665 -17.937  -8.055
  373   2HO*    C  35          2HO*        C  35   4.284 -17.158  -6.981
  374    H1*    C  35           H1*        C  35   1.952 -15.228  -7.607
  375   1H4     C  35          1H4         C  35  -3.225 -18.671  -6.179
  376   2H4     C  35          2H4         C  35  -3.652 -18.717  -7.873
  377    H5     C  35           H5         C  35  -2.236 -17.859  -9.616
  378    H6     C  35           H6         C  35  -0.104 -16.759 -10.117
  379   1H5*    U  36          1H5*        U  36   5.833 -20.958  -9.153
  380   2H5*    U  36          2H5*        U  36   4.145 -21.316  -8.737
  381    H4*    U  36           H4*        U  36   6.282 -20.048  -7.011
  382    H3*    U  36           H3*        U  36   4.737 -22.616  -6.941
  383    H2*    U  36           H2*        U  36   4.251 -22.457  -4.667
  384   2HO*    U  36          2HO*        U  36   5.687 -21.764  -3.287
  385    H1*    U  36           H1*        U  36   4.024 -19.717  -4.395
  386    H3     U  36           H3         U  36  -0.077 -21.629  -3.597
  387    H5     U  36           H5         U  36   0.158 -21.120  -7.775
  388    H6     U  36           H6         U  36   2.498 -20.535  -7.506
  389   1H5*    A  37          1H5*        A  37   6.476 -23.352  -3.512
  390   2H5*    A  37          2H5*        A  37   7.455 -24.821  -3.695
  391    H4*    A  37           H4*        A  37   5.726 -24.950  -1.884
  392    H3*    A  37           H3*        A  37   6.395 -26.975  -3.690
  393    H2*    A  37           H2*        A  37   4.464 -26.942  -5.007
  394   2HO*    A  37          2HO*        A  37   2.791 -28.256  -3.969
  395    H1*    A  37           H1*        A  37   2.695 -26.093  -2.736
  396    H8     A  37           H8         A  37   3.785 -25.373  -6.397
  397   1H6     A  37          1H6         A  37  -2.073 -23.608  -7.247
  398   2H6     A  37          2H6         A  37  -0.528 -23.883  -8.019
  399    H2     A  37           H2         A  37  -1.544 -24.594  -2.893
  400   1H5*    A  38          1H5*        A  38   7.802 -29.314   1.368
  401   2H5*    A  38          2H5*        A  38   6.295 -29.959   0.687
  402    H4*    A  38           H4*        A  38   6.711 -28.743   3.228
  403    H3*    A  38           H3*        A  38   4.381 -29.942   1.763
  404    H2*    A  38           H2*        A  38   2.802 -28.785   3.023
  405   2HO*    A  38          2HO*        A  38   3.036 -28.633   5.104
  406    H1*    A  38           H1*        A  38   4.219 -26.452   3.549
  407    H8     A  38           H8         A  38   4.717 -26.796  -0.068
  408   1H6     A  38          1H6         A  38  -1.119 -24.973  -0.949
  409   2H6     A  38          2H6         A  38   0.426 -25.268  -1.713
  410    H2     A  38           H2         A  38  -0.614 -25.934   3.415
  411   1H5*    G  39          1H5*        G  39   2.707 -32.024   5.719
  412   2H5*    G  39          2H5*        G  39   1.728 -33.035   4.636
  413    H4*    G  39           H4*        G  39   0.844 -30.862   6.148
  414    H3*    G  39           H3*        G  39  -0.335 -32.538   3.964
  415    H2*    G  39           H2*        G  39  -1.938 -30.951   3.368
  416   2HO*    G  39          2HO*        G  39  -1.684 -30.229   6.043
  417    H1*    G  39           H1*        G  39  -0.540 -28.629   3.822
  418    H8     G  39           H8         G  39   1.995 -30.699   2.119
  419    H1     G  39           H1         G  39  -2.585 -28.801  -1.934
  420   1H2     G  39          1H2         G  39  -4.311 -27.987  -0.802
  421   2H2     G  39          2H2         G  39  -4.338 -27.915   0.946
  422   1H5*    U  40          1H5*        U  40  -4.140 -32.055   6.357
  423   2H5*    U  40          2H5*        U  40  -4.671 -33.746   6.469
  424    H4*    U  40           H4*        U  40  -6.348 -32.200   5.422
  425    H3*    U  40           H3*        U  40  -5.306 -34.622   3.977
  426    H2*    U  40           H2*        U  40  -6.397 -34.048   1.988
  427   2HO*    U  40          2HO*        U  40  -8.105 -32.656   3.724
  428    H1*    U  40           H1*        U  40  -6.141 -31.308   2.096
  429    H3     U  40           H3         U  40  -3.549 -32.694  -1.397
  430    H5     U  40           H5         U  40  -1.196 -33.345   2.042
  431    H6     U  40           H6         U  40  -3.139 -32.809   3.392
  432   1H5*    C  41          1H5*        C  41  -9.568 -35.055   3.407
  433   2H5*    C  41          2H5*        C  41 -10.006 -36.747   3.720
  434    H4*    C  41           H4*        C  41 -10.652 -36.020   1.448
  435    H3*    C  41           H3*        C  41  -8.585 -38.200   1.736
  436    H2*    C  41           H2*        C  41  -8.272 -38.291  -0.579
  437   2HO*    C  41          2HO*        C  41 -10.661 -36.793  -0.962
  438    H1*    C  41           H1*        C  41  -8.670 -35.600  -1.167
  439   1H4     C  41          1H4         C  41  -2.362 -36.407  -1.351
  440   2H4     C  41          2H4         C  41  -2.290 -36.430   0.396
  441    H5     C  41           H5         C  41  -4.245 -36.352   1.800
  442    H6     C  41           H6         C  41  -6.693 -36.239   1.833
  443   1H5*    C  42          1H5*        C  42 -11.001 -39.421  -1.155
  444   2H5*    C  42          2H5*        C  42 -11.871 -40.935  -0.840
  445    H4*    C  42           H4*        C  42 -10.986 -41.197  -3.007
  446    H3*    C  42           H3*        C  42  -9.221 -42.577  -0.977
  447    H2*    C  42           H2*        C  42  -7.710 -43.179  -2.673
  448   2HO*    C  42          2HO*        C  42  -8.604 -42.587  -4.977
  449    H1*    C  42           H1*        C  42  -7.926 -40.885  -4.218
  450   1H4     C  42          1H4         C  42  -2.587 -39.954  -0.899
  451   2H4     C  42          2H4         C  42  -3.505 -39.681   0.564
  452    H5     C  42           H5         C  42  -5.898 -39.908   0.684
  453    H6     C  42           H6         C  42  -7.932 -40.449  -0.572
  454   1H5*    U  43          1H5*        U  43  -9.163 -44.579  -4.420
  455   2H5*    U  43          2H5*        U  43  -9.472 -46.317  -4.238
  456    H4*    U  43           H4*        U  43  -7.400 -45.887  -5.494
  457    H3*    U  43           H3*        U  43  -7.209 -47.242  -2.820
  458    H2*    U  43           H2*        U  43  -4.947 -46.950  -2.698
  459   2HO*    U  43          2HO*        U  43  -4.102 -46.884  -5.235
  460    H1*    U  43           H1*        U  43  -4.733 -45.101  -4.969
  461    H3     U  43           H3         U  43  -1.451 -43.378  -2.440
  462    H5     U  43           H5         U  43  -4.855 -43.071   0.036
  463    H6     U  43           H6         U  43  -6.106 -44.278  -1.659
  464    H3T    U  43           H3T        U  43  -6.338 -48.219  -5.311
  465   1H5*    G  44          1H5*        G  44  -8.489  45.063  -0.694
  466   2H5*    G  44          2H5*        G  44  -8.328  43.299  -0.824
  467    H4*    G  44           H4*        G  44  -8.125  44.475  -3.011
  468    H3*    G  44           H3*        G  44  -5.954  42.725  -1.938
  469    H2*    G  44           H2*        G  44  -4.349  43.409  -3.491
  470   2HO*    G  44          2HO*        G  44  -6.507  44.432  -5.048
  471    H1*    G  44           H1*        G  44  -4.971  46.051  -3.739
  472    H8     G  44           H8         G  44  -5.454  45.457  -0.102
  473    H1     G  44           H1         G  44   0.749  45.498  -1.698
  474   1H2     G  44          1H2         G  44   0.965  45.422  -3.907
  475   2H2     G  44          2H2         G  44  -0.411  45.358  -4.984
  476    H5T    G  44           H5T        G  44  -6.488  43.363   0.225
  477   1H5*    G  45          1H5*        G  45  -5.247  42.493  -5.687
  478   2H5*    G  45          2H5*        G  45  -5.444  40.860  -6.355
  479    H4*    G  45           H4*        G  45  -3.278  41.752  -6.995
  480    H3*    G  45           H3*        G  45  -3.246  39.490  -5.001
  481    H2*    G  45           H2*        G  45  -0.941  39.662  -4.730
  482   2HO*    G  45          2HO*        G  45   0.043  41.169  -6.600
  483    H1*    G  45           H1*        G  45  -0.645  42.411  -5.290
  484    H8     G  45           H8         G  45  -3.216  41.754  -2.588
  485    H1     G  45           H1         G  45   2.813  41.779  -0.429
  486   1H2     G  45          1H2         G  45   4.230  41.800  -2.142
  487   2H2     G  45          2H2         G  45   3.693  41.809  -3.805
  488   1H5*    G  46          1H5*        G  46  -0.671  38.877  -8.279
  489   2H5*    G  46          2H5*        G  46  -0.520  37.235  -8.938
  490    H4*    G  46           H4*        G  46   1.673  38.250  -8.370
  491    H3*    G  46           H3*        G  46   0.776  35.762  -6.917
  492    H2*    G  46           H2*        G  46   2.656  35.809  -5.536
  493   2HO*    G  46          2HO*        G  46   3.941  37.655  -7.272
  494    H1*    G  46           H1*        G  46   3.027  38.580  -5.411
  495    H8     G  46           H8         G  46  -0.559  37.502  -4.702
  496    H1     G  46           H1         G  46   3.300  37.188   0.397
  497   1H2     G  46          1H2         G  46   5.409  37.516  -0.230
  498   2H2     G  46          2H2         G  46   5.859  37.808  -1.894
  499   1H5*    A  47          1H5*        A  47   4.534  34.982  -8.226
  500   2H5*    A  47          2H5*        A  47   4.792  33.487  -9.148
  501    H4*    A  47           H4*        A  47   6.363  33.488  -7.343
  502    H3*    A  47           H3*        A  47   4.049  31.597  -6.980
  503    H2*    A  47           H2*        A  47   4.685  31.068  -4.804
  504   2HO*    A  47          2HO*        A  47   6.710  30.743  -4.306
  505    H1*    A  47           H1*        A  47   5.918  33.486  -4.091
  506    H8     A  47           H8         A  47   2.371  33.628  -5.584
  507   1H6     A  47          1H6         A  47   0.381  33.422   0.256
  508   2H6     A  47          2H6         A  47  -0.087  33.617  -1.417
  509    H2     A  47           H2         A  47   4.841  32.838   0.298
  510   1H5*    U  48          1H5*        U  48   7.446  29.374  -5.764
  511   2H5*    U  48          2H5*        U  48   7.252  27.668  -6.212
  512    H4*    U  48           H4*        U  48   7.438  28.143  -3.728
  513    H3*    U  48           H3*        U  48   5.163  26.596  -4.940
  514    H2*    U  48           H2*        U  48   3.961  26.565  -2.956
  515   2HO*    U  48          2HO*        U  48   6.495  26.835  -1.699
  516    H1*    U  48           H1*        U  48   4.982  28.912  -1.760
  517    H3     U  48           H3         U  48   0.566  29.802  -1.711
  518    H5     U  48           H5         U  48   1.534  29.784  -5.815
  519    H6     U  48           H6         U  48   3.768  29.047  -5.217
  520   1H5*    A  49          1H5*        A  49   8.415  23.776  -2.116
  521   2H5*    A  49          2H5*        A  49   7.547  22.238  -1.929
  522    H4*    A  49           H4*        A  49   8.181  24.335   0.073
  523    H3*    A  49           H3*        A  49   8.757  21.651  -0.091
  524    H2*    A  49           H2*        A  49   6.625  20.750   0.251
  525   2HO*    A  49          2HO*        A  49   7.799  21.312   2.725
  526    H1*    A  49           H1*        A  49   5.719  22.872   2.143
  527    H8     A  49           H8         A  49   4.785  22.048  -1.541
  528   1H6     A  49          1H6         A  49  -0.772  20.623   0.755
  529   2H6     A  49          2H6         A  49   0.179  20.792  -0.704
  530    H2     A  49           H2         A  49   1.920  21.655   4.195
  531   1H5*    U  50          1H5*        U  50   9.163  22.463   4.965
  532   2H5*    U  50          2H5*        U  50  10.129  21.017   5.326
  533    H4*    U  50           H4*        U  50   8.443  20.237   6.561
  534    H3*    U  50           H3*        U  50   7.588  19.556   4.020
  535    H2*    U  50           H2*        U  50   6.017  21.204   3.594
  536   2HO*    U  50          2HO*        U  50   3.983  20.692   4.892
  537    H1*    U  50           H1*        U  50   5.202  21.726   6.391
  538    H3     U  50           H3         U  50   7.303  26.073   4.544
  539    H5     U  50           H5         U  50   3.339  25.049   3.551
  540    H6     U  50           H6         U  50   3.733  22.855   4.510
  541   1H5*    G  51          1H5*        G  51   3.443  17.400   7.494
  542   2H5*    G  51          2H5*        G  51   4.218  17.092   5.928
  543    H4*    G  51           H4*        G  51   1.554  18.376   6.516
  544    H3*    G  51           H3*        G  51   2.522  16.007   4.959
  545    H2*    G  51           H2*        G  51   1.181  16.443   3.119
  546   2HO*    G  51          2HO*        G  51  -0.712  17.905   3.418
  547    H1*    G  51           H1*        G  51   0.952  19.222   3.310
  548    H8     G  51           H8         G  51   4.562  18.835   3.409
  549    H1     G  51           H1         G  51   2.309  17.291  -2.378
  550   1H2     G  51          1H2         G  51   0.121  16.989  -2.291
  551   2H2     G  51          2H2         G  51  -0.794  17.162  -0.811
  552   1H5*    G  52          1H5*        G  52   1.506  12.014   5.671
  553   2H5*    G  52          2H5*        G  52   2.952  12.371   4.707
  554    H4*    G  52           H4*        G  52   0.154  11.912   3.858
  555    H3*    G  52           H3*        G  52   2.903  11.422   2.738
  556    H2*    G  52           H2*        G  52   2.160  11.662   0.522
  557   2HO*    G  52          2HO*        G  52  -0.057  11.587  -0.024
  558    H1*    G  52           H1*        G  52   0.413  13.726   0.860
  559    H8     G  52           H8         G  52   3.014  14.924   3.111
  560    H1     G  52           H1         G  52   5.095  14.999  -2.943
  561   1H2     G  52          1H2         G  52   3.744  13.792  -4.224
  562   2H2     G  52          2H2         G  52   2.338  12.966  -3.594
  563   1H5*    A  53          1H5*        A  53   0.754   7.679   1.574
  564   2H5*    A  53          2H5*        A  53   1.845   6.282   1.670
  565    H4*    A  53           H4*        A  53   1.040   6.900  -0.656
  566    H3*    A  53           H3*        A  53   3.959   6.644   0.048
  567    H2*    A  53           H2*        A  53   4.623   7.389  -2.063
  568   2HO*    A  53          2HO*        A  53   1.995   7.043  -3.081
  569    H1*    A  53           H1*        A  53   2.577   9.191  -2.567
  570    H8     A  53           H8         A  53   3.592  10.057   0.873
  571   1H6     A  53          1H6         A  53   8.584  12.852  -1.458
  572   2H6     A  53          2H6         A  53   7.582  12.646  -0.038
  573    H2     A  53           H2         A  53   6.742  10.365  -4.718
  574   1H5*    A  54          1H5*        A  54   3.038   4.257  -3.718
  575   2H5*    A  54          2H5*        A  54   3.962   2.747  -3.586
  576    H4*    A  54           H4*        A  54   4.248   3.947  -5.772
  577    H3*    A  54           H3*        A  54   6.594   3.311  -3.997
  578    H2*    A  54           H2*        A  54   8.086   4.484  -5.388
  579   2HO*    A  54          2HO*        A  54   7.243   5.268  -7.507
  580    H1*    A  54           H1*        A  54   6.509   6.618  -6.007
  581    H8     A  54           H8         A  54   5.873   5.634  -2.395
  582   1H6     A  54          1H6         A  54  10.691   9.218  -0.934
  583   2H6     A  54          2H6         A  54   9.333   8.307  -0.310
  584    H2     A  54           H2         A  54  10.595   8.780  -5.409
  585   1H5*    G  55          1H5*        G  55   8.088   1.509  -7.643
  586   2H5*    G  55          2H5*        G  55   8.854  -0.025  -7.186
  587    H4*    G  55           H4*        G  55  10.430   1.608  -8.219
  588    H3*    G  55           H3*        G  55  10.912   0.689  -5.380
  589    H2*    G  55           H2*        G  55  12.816   2.062  -5.252
  590   2HO*    G  55          2HO*        G  55  12.868   1.610  -7.986
  591    H1*    G  55           H1*        G  55  11.886   4.153  -6.845
  592    H8     G  55           H8         G  55   9.309   3.090  -4.266
  593    H1     G  55           H1         G  55  13.787   7.023  -1.942
  594   1H2     G  55          1H2         G  55  15.428   7.265  -3.415
  595   2H2     G  55          2H2         G  55  15.421   6.460  -4.968
  596   1H5*    A  56          1H5*        A  56  14.293   0.668  -6.560
  597   2H5*    A  56          2H5*        A  56  15.091  -0.897  -6.810
  598    H4*    A  56           H4*        A  56  16.698   0.113  -5.534
  599    H3*    A  56           H3*        A  56  14.758  -1.095  -3.566
  600    H2*    A  56           H2*        A  56  15.753   0.007  -1.790
  601   2HO*    A  56          2HO*        A  56  18.137   0.670  -3.074
  602    H1*    A  56           H1*        A  56  16.861   2.201  -3.219
  603    H8     A  56           H8         A  56  13.069   1.427  -3.181
  604   1H6     A  56          1H6         A  56  12.766   5.575   1.383
  605   2H6     A  56          2H6         A  56  11.845   4.528   0.328
  606    H2     A  56           H2         A  56  17.095   5.000   0.324
  607   1H5*    A  57          1H5*        A  57  18.973  -1.144  -3.016
  608   2H5*    A  57          2H5*        A  57  19.609  -2.800  -2.940
  609    H4*    A  57           H4*        A  57  21.084  -1.663  -1.557
  610    H3*    A  57           H3*        A  57  18.881  -2.839   0.127
  611    H2*    A  57           H2*        A  57  19.656  -1.738   2.061
  612   2HO*    A  57          2HO*        A  57  22.017  -0.954   0.683
  613    H1*    A  57           H1*        A  57  20.267   0.671   0.956
  614    H8     A  57           H8         A  57  17.185  -1.076  -0.558
  615   1H6     A  57          1H6         A  57  13.890   2.010   3.649
  616   2H6     A  57          2H6         A  57  13.819   0.958   2.255
  617    H2     A  57           H2         A  57  18.245   2.757   4.487
  618   1H5*    C  58          1H5*        C  58  22.148  -4.079   2.602
  619   2H5*    C  58          2H5*        C  58  21.793  -5.756   3.064
  620    H4*    C  58           H4*        C  58  21.935  -4.208   5.009
  621    H3*    C  58           H3*        C  58  19.301  -5.591   4.448
  622    H2*    C  58           H2*        C  58  18.339  -4.503   6.279
  623   2HO*    C  58          2HO*        C  58  20.943  -4.616   7.244
  624    H1*    C  58           H1*        C  58  19.896  -2.148   6.174
  625   1H4     C  58          1H4         C  58  14.064  -0.403   4.318
  626   2H4     C  58          2H4         C  58  14.307  -1.162   2.760
  627    H5     C  58           H5         C  58  16.282  -2.424   2.199
  628    H6     C  58           H6         C  58  18.432  -3.266   3.024
  629   1H5*    C  59          1H5*        C  59  20.293  -6.111   8.323
  630   2H5*    C  59          2H5*        C  59  20.020  -7.703   9.061
  631    H4*    C  59           H4*        C  59  18.863  -5.988  10.341
  632    H3*    C  59           H3*        C  59  17.092  -7.870   8.771
  633    H2*    C  59           H2*        C  59  15.194  -6.718   9.482
  634   2HO*    C  59          2HO*        C  59  16.215  -6.791  11.763
  635    H1*    C  59           H1*        C  59  16.354  -4.163   9.724
  636   1H4     C  59          1H4         C  59  12.577  -3.810   4.625
  637   2H4     C  59          2H4         C  59  13.637  -4.867   3.719
  638    H5     C  59           H5         C  59  15.607  -5.889   4.662
  639    H6     C  59           H6         C  59  16.961  -6.151   6.690
  640   1H5*    G  60          1H5*        G  60  16.389  -8.019  13.556
  641   2H5*    G  60          2H5*        G  60  15.962  -9.727  13.786
  642    H4*    G  60           H4*        G  60  14.504  -8.235  15.097
  643    H3*    G  60           H3*        G  60  13.242  -9.839  12.869
  644    H2*    G  60           H2*        G  60  11.147  -8.868  13.316
  645   2HO*    G  60          2HO*        G  60  12.228  -8.577  15.847
  646    H1*    G  60           H1*        G  60  12.009  -6.313  13.873
  647    H8     G  60           H8         G  60  13.938  -7.717  10.930
  648    H1     G  60           H1         G  60   8.181  -5.423   9.330
  649   1H2     G  60          1H2         G  60   7.007  -4.974  11.161
  650   2H2     G  60          2H2         G  60   7.640  -5.238  12.770
  651   1H5*    G  61          1H5*        G  61  10.281  -9.631  15.363
  652   2H5*    G  61          2H5*        G  61  10.110 -11.213  16.149
  653    H4*    G  61           H4*        G  61   7.912 -10.677  15.588
  654    H3*    G  61           H3*        G  61   9.081 -12.385  13.385
  655    H2*    G  61           H2*        G  61   7.155 -12.113  12.104
  656   2HO*    G  61          2HO*        G  61   5.131 -11.620  13.050
  657    H1*    G  61           H1*        G  61   6.353  -9.589  13.132
  658    H8     G  61           H8         G  61   9.869  -9.606  11.712
  659    H1     G  61           H1         G  61   5.341  -8.849   7.256
  660   1H2     G  61          1H2         G  61   3.336  -9.200   8.140
  661   2H2     G  61          2H2         G  61   3.113  -9.621   9.823
  662   1H5*    G  62          1H5*        G  62   4.984 -13.249  14.098
  663   2H5*    G  62          2H5*        G  62   4.833 -14.983  14.449
  664    H4*    G  62           H4*        G  62   3.113 -14.257  12.862
  665    H3*    G  62           H3*        G  62   5.227 -16.153  11.845
  666    H2*    G  62           H2*        G  62   4.416 -16.011   9.675
  667   2HO*    G  62          2HO*        G  62   2.368 -16.409   9.483
  668    H1*    G  62           H1*        G  62   3.215 -13.442   9.840
  669    H8     G  62           H8         G  62   6.965 -13.920  10.590
  670    H1     G  62           H1         G  62   5.601 -12.545   4.486
  671   1H2     G  62          1H2         G  62   3.403 -12.528   4.182
  672   2H2     G  62          2H2         G  62   2.274 -12.854   5.480
  673   1H5*    G  63          1H5*        G  63   4.195 -20.334  10.652
  674   2H5*    G  63          2H5*        G  63   5.641 -19.657   9.876
  675    H4*    G  63           H4*        G  63   2.780 -19.588   8.998
  676    H3*    G  63           H3*        G  63   5.427 -20.249   7.776
  677    H2*    G  63           H2*        G  63   4.992 -19.155   5.751
  678   2HO*    G  63          2HO*        G  63   3.043 -19.805   5.105
  679    H1*    G  63           H1*        G  63   3.692 -16.954   6.649
  680    H8     G  63           H8         G  63   6.126 -17.372   9.387
  681    H1     G  63           H1         G  63   9.059 -15.647   3.967
  682   1H2     G  63          1H2         G  63   7.663 -15.812   2.267
  683   2H2     G  63          2H2         G  63   6.010 -16.354   2.455
  684   1H5*    A  64          1H5*        A  64   6.615 -24.008   7.371
  685   2H5*    A  64          2H5*        A  64   7.340 -22.434   6.988
  686    H4*    A  64           H4*        A  64   8.042 -24.537   5.611
  687    H3*    A  64           H3*        A  64   7.518 -21.770   4.627
  688    H2*    A  64           H2*        A  64   7.330 -22.357   2.378
  689   2HO*    A  64          2HO*        A  64   9.348 -23.619   2.524
  690    H1*    A  64           H1*        A  64   6.135 -24.805   2.564
  691    H8     A  64           H8         A  64   4.769 -22.292   5.114
  692   1H6     A  64          1H6         A  64   0.670 -20.722   0.781
  693   2H6     A  64          2H6         A  64   1.151 -20.520   2.451
  694    H2     A  64           H2         A  64   3.638 -23.527  -1.092
  695   1H5*    A  65          1H5*        A  65  10.680 -20.061   1.746
  696   2H5*    A  65          2H5*        A  65   9.430 -18.958   2.355
  697    H4*    A  65           H4*        A  65   9.515 -20.555  -0.123
  698    H3*    A  65           H3*        A  65   8.257 -17.983   0.796
  699    H2*    A  65           H2*        A  65   6.416 -18.224  -0.614
  700   2HO*    A  65          2HO*        A  65   7.895 -20.167  -2.086
  701    H1*    A  65           H1*        A  65   6.152 -20.978  -0.588
  702    H8     A  65           H8         A  65   6.513 -20.408   2.990
  703   1H6     A  65          1H6         A  65   0.791 -18.082   3.117
  704   2H6     A  65          2H6         A  65   2.116 -18.694   4.082
  705    H2     A  65           H2         A  65   2.107 -18.291  -1.178
  706   1H5*    A  66          1H5*        A  66   9.101 -15.349  -3.808
  707   2H5*    A  66          2H5*        A  66   8.581 -14.332  -2.450
  708    H4*    A  66           H4*        A  66   7.145 -14.986  -4.815
  709    H3*    A  66           H3*        A  66   6.649 -13.315  -2.381
  710    H2*    A  66           H2*        A  66   4.313 -13.452  -2.535
  711   2HO*    A  66          2HO*        A  66   4.862 -13.606  -5.189
  712    H1*    A  66           H1*        A  66   4.026 -16.035  -3.287
  713    H8     A  66           H8         A  66   7.014 -15.710  -0.952
  714   1H6     A  66          1H6         A  66   3.012 -16.349   3.709
  715   2H6     A  66          2H6         A  66   4.707 -16.297   3.271
  716    H2     A  66           H2         A  66   0.649 -15.888  -0.105
  717   1H5*    C  67          1H5*        C  67   4.350 -11.340  -4.325
  718   2H5*    C  67          2H5*        C  67   4.445  -9.575  -4.166
  719    H4*    C  67           H4*        C  67   2.473 -10.637  -3.014
  720    H3*    C  67           H3*        C  67   4.467  -8.982  -1.458
  721    H2*    C  67           H2*        C  67   3.291  -9.394   0.535
  722   2HO*    C  67          2HO*        C  67   1.136 -10.144  -1.162
  723    H1*    C  67           H1*        C  67   2.578 -12.019   0.032
  724   1H4     C  67          1H4         C  67   7.758 -12.256   3.747
  725   2H4     C  67          2H4         C  67   8.785 -11.996   2.355
  726    H5     C  67           H5         C  67   7.926 -11.579   0.141
  727    H6     C  67           H6         C  67   5.902 -11.280  -1.205
  728   1H5*    U  68          1H5*        U  68   1.075  -8.059  -0.016
  729   2H5*    U  68          2H5*        U  68   0.647  -6.339   0.069
  730    H4*    U  68           H4*        U  68   0.420  -7.360   2.265
  731    H3*    U  68           H3*        U  68   2.735  -5.431   1.979
  732    H2*    U  68           H2*        U  68   3.313  -5.812   4.223
  733   2HO*    U  68          2HO*        U  68   0.661  -6.805   4.524
  734    H1*    U  68           H1*        U  68   2.546  -8.506   4.344
  735    H3     U  68           H3         U  68   6.994  -8.530   5.257
  736    H5     U  68           H5         U  68   6.777  -7.864   1.099
  737    H6     U  68           H6         U  68   4.370  -7.655   1.324
  738   1H5*    U  69          1H5*        U  69   1.012  -4.834   5.163
  739   2H5*    U  69          2H5*        U  69   0.160  -3.334   5.575
  740    H4*    U  69           H4*        U  69   1.367  -3.686   7.510
  741    H3*    U  69           H3*        U  69   3.178  -2.067   5.703
  742    H2*    U  69           H2*        U  69   4.865  -2.210   7.304
  743   2HO*    U  69          2HO*        U  69   4.451  -1.988   9.358
  744    H1*    U  69           H1*        U  69   4.129  -4.715   8.395
  745    H3     U  69           H3         U  69   8.369  -5.606   7.151
  746    H5     U  69           H5         U  69   6.468  -4.667   3.513
  747    H6     U  69           H6         U  69   4.475  -4.106   4.774
  748   1H5*    G  70          1H5*        G  70   3.190  -0.553   9.531
  749   2H5*    G  70          2H5*        G  70   3.572   1.174   9.666
  750    H4*    G  70           H4*        G  70   5.222  -0.307  10.806
  751    H3*    G  70           H3*        G  70   6.215   1.373   8.484
  752    H2*    G  70           H2*        G  70   8.358   0.520   8.868
  753   2HO*    G  70          2HO*        G  70   8.789  -0.554  10.974
  754    H1*    G  70           H1*        G  70   7.518  -1.977   9.942
  755    H8     G  70           H8         G  70   6.374  -0.955   6.405
  756    H1     G  70           H1         G  70  11.936  -4.121   6.645
  757   1H2     G  70          1H2         G  70  12.560  -4.387   8.759
  758   2H2     G  70          2H2         G  70  11.606  -3.791  10.099
  759   1H5*    G  71          1H5*        G  71   8.173   2.991  12.472
  760   2H5*    G  71          2H5*        G  71   8.478   4.708  12.140
  761    H4*    G  71           H4*        G  71  10.471   3.500  13.023
  762    H3*    G  71           H3*        G  71  10.618   4.700  10.247
  763    H2*    G  71           H2*        G  71  12.843   3.944  10.055
  764   2HO*    G  71          2HO*        G  71  14.138   3.609  11.747
  765    H1*    G  71           H1*        G  71  12.509   1.512  11.324
  766    H8     G  71           H8         G  71   9.598   2.305   9.000
  767    H1     G  71           H1         G  71  14.689  -0.134   5.982
  768   1H2     G  71          1H2         G  71  16.403  -0.274   7.386
  769   2H2     G  71          2H2         G  71  16.305   0.253   9.050
  770   1H5*    U  72          1H5*        U  72  14.094   6.729  12.062
  771   2H5*    U  72          2H5*        U  72  13.842   8.442  11.672
  772    H4*    U  72           H4*        U  72  16.038   7.754  10.901
  773    H3*    U  72           H3*        U  72  14.017   8.247   8.703
  774    H2*    U  72           H2*        U  72  15.613   7.664   7.098
  775   2HO*    U  72          2HO*        U  72  17.804   7.647   8.835
  776    H1*    U  72           H1*        U  72  17.010   5.761   8.615
  777    H3     U  72           H3         U  72  15.543   3.409   5.030
  778    H5     U  72           H5         U  72  12.035   4.224   7.223
  779    H6     U  72           H6         U  72  13.365   5.598   8.716
  780   1H5*    U  73          1H5*        U  73  17.848  10.068   8.154
  781   2H5*    U  73          2H5*        U  73  17.736  11.751   7.599
  782    H4*    U  73           H4*        U  73  19.398  10.612   6.270
  783    H3*    U  73           H3*        U  73  16.808  11.115   4.778
  784    H2*    U  73           H2*        U  73  17.809  10.178   2.844
  785   2HO*    U  73          2HO*        U  73  20.060  11.131   3.937
  786    H1*    U  73           H1*        U  73  19.039   8.080   4.114
  787    H3     U  73           H3         U  73  15.670   5.971   1.974
  788    H5     U  73           H5         U  73  13.710   8.164   4.996
  789    H6     U  73           H6         U  73  15.845   9.179   5.550
  790   1H5*    C  74          1H5*        C  74  19.865  12.006   2.175
  791   2H5*    C  74          2H5*        C  74  19.487  13.482   1.267
  792    H4*    C  74           H4*        C  74  19.953  11.530  -0.197
  793    H3*    C  74           H3*        C  74  17.128  12.638  -0.316
  794    H2*    C  74           H2*        C  74  16.742  11.117  -2.094
  795   2HO*    C  74          2HO*        C  74  18.810   9.851  -2.746
  796    H1*    C  74           H1*        C  74  18.209   9.022  -0.996
  797   1H4     C  74          1H4         C  74  12.142   7.649   0.370
  798   2H4     C  74          2H4         C  74  12.159   8.801   1.686
  799    H5     C  74           H5         C  74  14.042  10.216   2.178
  800    H6     C  74           H6         C  74  16.290  10.891   1.467
  801   1H5*    U  75          2H5*        U  75  18.782  13.266  -3.929
  802   2H5*    U  75          1H5*        U  75  18.172  14.506  -5.043
  803    H4*    U  75           H4*        U  75  17.582  12.192  -5.742
  804    H3*    U  75           H3*        U  75  15.338  14.093  -5.033
  805    H2*    U  75           H2*        U  75  13.786  12.417  -5.477
  806   2HO*    U  75          2HO*        U  75  15.804  11.351  -7.159
  807    H1*    U  75           H1*        U  75  15.463  10.207  -4.859
  808    H3     U  75           H3         U  75  11.706   9.518  -2.423
  809    H5     U  75           H5         U  75  13.728  12.611  -0.398
  810    H6     U  75           H6         U  75  15.276  12.733  -2.266
  811   1H5*    U  76          1H5*        U  76  14.788  12.919  -9.139
  812   2H5*    U  76          2H5*        U  76  14.186  14.226 -10.176
  813    H4*    U  76           H4*        U  76  12.730  12.239 -10.260
  814    H3*    U  76           H3*        U  76  11.613  14.794  -9.119
  815    H2*    U  76           H2*        U  76   9.644  13.750  -8.468
  816   2HO*    U  76          2HO*        U  76   9.999  11.493 -10.104
  817    H1*    U  76           H1*        U  76  10.631  11.102  -8.189
  818    H3     U  76           H3         U  76   8.698  11.781  -4.159
  819    H5     U  76           H5         U  76  12.023  14.374  -4.151
  820    H6     U  76           H6         U  76  12.392  13.802  -6.479
  821   1H5*    C  77          1H5*        C  77   7.338  15.852 -11.715
  822   2H5*    C  77          2H5*        C  77   7.897  15.913 -10.030
  823    H4*    C  77           H4*        C  77   6.222  13.678 -11.221
  824    H3*    C  77           H3*        C  77   5.416  16.184  -9.765
  825    H2*    C  77           H2*        C  77   4.009  15.028  -8.308
  826   2HO*    C  77          2HO*        C  77   4.029  12.921 -10.226
  827    H1*    C  77           H1*        C  77   5.399  12.630  -8.118
  828   1H4     C  77          1H4         C  77   6.606  15.928  -2.773
  829   2H4     C  77          2H4         C  77   8.046  16.565  -3.530
  830    H5     C  77           H5         C  77   8.591  16.203  -5.846
  831    H6     C  77           H6         C  77   7.886  15.133  -7.935
  832   1H5*    C  78          1H5*        C  78   1.244  14.298 -10.230
  833   2H5*    C  78          2H5*        C  78   0.566  15.629 -11.189
  834    H4*    C  78           H4*        C  78  -0.836  15.111  -9.233
  835    H3*    C  78           H3*        C  78   0.502  17.801  -9.393
  836    H2*    C  78           H2*        C  78  -0.131  18.379  -7.234
  837   2HO*    C  78          2HO*        C  78  -2.036  17.836  -6.384
  838    H1*    C  78           H1*        C  78  -0.293  15.807  -6.093
  839   1H4     C  78          1H4         C  78   4.900  18.324  -3.428
  840   2H4     C  78          2H4         C  78   5.756  18.248  -4.951
  841    H5     C  78           H5         C  78   4.731  17.539  -7.006
  842    H6     C  78           H6         C  78   2.666  16.734  -8.050
  843   1H5*    U  79          1H5*        U  79  -3.569  21.127  -8.578
  844   2H5*    U  79          2H5*        U  79  -1.897  20.895  -8.030
  845    H4*    U  79           H4*        U  79  -4.331  19.899  -6.514
  846    H3*    U  79           H3*        U  79  -2.920  22.550  -6.387
  847    H2*    U  79           H2*        U  79  -2.709  22.476  -4.074
  848   2HO*    U  79          2HO*        U  79  -5.045  22.018  -3.893
  849    H1*    U  79           H1*        U  79  -2.585  19.702  -3.699
  850    H3     U  79           H3         U  79   1.251  21.466  -1.948
  851    H5     U  79           H5         U  79   1.918  21.255  -6.105
  852    H6     U  79           H6         U  79  -0.422  20.677  -6.385
  853   1H5*    A  80          1H5*        A  80  -6.367  25.765  -3.931
  854   2H5*    A  80          2H5*        A  80  -4.652  25.934  -4.354
  855    H4*    A  80           H4*        A  80  -5.788  24.816  -1.770
  856    H3*    A  80           H3*        A  80  -5.398  27.476  -2.327
  857    H2*    A  80           H2*        A  80  -3.092  27.493  -2.725
  858   2HO*    A  80          2HO*        A  80  -2.946  28.703  -0.949
  859    H1*    A  80           H1*        A  80  -2.421  25.370  -0.743
  860    H8     A  80           H8         A  80  -2.544  25.369  -4.629
  861   1H6     A  80          1H6         A  80   3.594  24.759  -4.296
  862   2H6     A  80          2H6         A  80   2.211  24.821  -5.366
  863    H2     A  80           H2         A  80   2.022  25.227  -0.112
  864   1H5*    A  81          1H5*        A  81  -8.473  27.956   2.599
  865   2H5*    A  81          2H5*        A  81  -7.137  29.098   2.347
  866    H4*    A  81           H4*        A  81  -7.617  27.482   4.606
  867    H3*    A  81           H3*        A  81  -5.426  29.332   3.726
  868    H2*    A  81           H2*        A  81  -3.835  28.373   5.117
  869   2HO*    A  81          2HO*        A  81  -5.429  28.625   6.936
  870    H1*    A  81           H1*        A  81  -4.823  25.757   5.273
  871    H8     A  81           H8         A  81  -4.646  26.246   1.660
  872   1H6     A  81          1H6         A  81   1.499  25.705   1.955
  873   2H6     A  81          2H6         A  81   0.106  25.731   0.897
  874    H2     A  81           H2         A  81  -0.042  26.262   6.141
  875   1H5*    G  82          1H5*        G  82  -4.000  31.993   7.771
  876   2H5*    G  82          2H5*        G  82  -3.371  32.111   6.115
  877    H4*    G  82           H4*        G  82  -2.356  30.529   8.446
  878    H3*    G  82           H3*        G  82  -1.208  32.388   6.398
  879    H2*    G  82           H2*        G  82   0.726  31.122   6.076
  880   2HO*    G  82          2HO*        G  82   0.143  29.820   8.545
  881    H1*    G  82           H1*        G  82  -0.272  28.583   6.397
  882    H8     G  82           H8         G  82  -2.867  30.198   4.308
  883    H1     G  82           H1         G  82   2.476  29.046   0.973
  884   1H2     G  82          1H2         G  82   4.137  28.534   2.352
  885   2H2     G  82          2H2         G  82   3.933  28.477   4.089
  886   1H5*    U  83          1H5*        U  83   2.183  31.856   9.249
  887   2H5*    U  83          2H5*        U  83   2.574  33.524   9.713
  888    H4*    U  83           H4*        U  83   4.567  32.246   8.979
  889    H3*    U  83           H3*        U  83   3.704  34.714   7.512
  890    H2*    U  83           H2*        U  83   5.217  34.391   5.757
  891   2HO*    U  83          2HO*        U  83   6.611  32.359   7.145
  892    H1*    U  83           H1*        U  83   5.163  31.655   5.567
  893    H3     U  83           H3         U  83   3.083  33.004   1.768
  894    H5     U  83           H5         U  83   0.195  33.543   4.792
  895    H6     U  83           H6         U  83   1.904  33.012   6.429
  896   1H5*    C  84          1H5*        C  84   7.270  35.132   7.402
  897   2H5*    C  84          2H5*        C  84   8.162  36.517   8.065
  898    H4*    C  84           H4*        C  84   8.708  36.548   5.787
  899    H3*    C  84           H3*        C  84   6.451  38.471   6.344
  900    H2*    C  84           H2*        C  84   6.166  38.906   4.076
  901   2HO*    C  84          2HO*        C  84   7.891  38.426   2.555
  902    H1*    C  84           H1*        C  84   7.021  36.425   3.053
  903   1H4     C  84          1H4         C  84   0.737  36.439   2.121
  904   2H4     C  84          2H4         C  84   0.444  36.307   3.842
  905    H5     C  84           H5         C  84   2.204  36.329   5.486
  906    H6     C  84           H6         C  84   4.624  36.499   5.838
  907   1H5*    C  85          1H5*        C  85   9.558  39.655   3.819
  908   2H5*    C  85          2H5*        C  85  10.368  41.181   4.227
  909    H4*    C  85           H4*        C  85  10.198  41.125   1.854
  910    H3*    C  85           H3*        C  85   8.162  42.946   3.136
  911    H2*    C  85           H2*        C  85   7.187  43.414   1.048
  912   2HO*    C  85          2HO*        C  85   8.242  42.938  -0.915
  913    H1*    C  85           H1*        C  85   7.369  40.906  -0.057
  914   1H4     C  85          1H4         C  85   1.491  41.043   2.373
  915   2H4     C  85          2H4         C  85   2.125  40.916   3.998
  916    H5     C  85           H5         C  85   4.476  40.908   4.501
  917    H6     C  85           H6         C  85   6.735  41.023   3.558
  918   1H5*    U  86          1H5*        U  86   9.246  44.386  -0.366
  919   2H5*    U  86          2H5*        U  86   9.587  46.127  -0.408
  920    H4*    U  86           H4*        U  86   7.834  45.368  -2.036
  921    H3*    U  86           H3*        U  86   7.256  47.454   0.042
  922    H2*    U  86           H2*        U  86   4.997  47.308  -0.252
  923   2HO*    U  86          2HO*        U  86   5.382  46.751  -3.014
  924    H1*    U  86           H1*        U  86   5.054  44.913  -1.963
  925    H3     U  86           H3         U  86   1.095  44.280   0.091
  926    H5     U  86           H5         U  86   3.901  44.139   3.238
  927    H6     U  86           H6         U  86   5.610  44.798   1.646
  928    H3T    U  86           H3T        U  86   7.257  47.463  -2.807
  929   1HO1  MN6 101          1HO1      MN6 101   0.284 -41.960  -0.870
  930   2HO1  MN6 101          2HO1      MN6 101   1.684 -42.203  -0.207
  931   1HO2  MN6 101          1HO2      MN6 101   1.659 -37.373   0.737
  932   2HO2  MN6 101          2HO2      MN6 101   1.252 -38.076   2.078
  933   1HO3  MN6 101          1HO3      MN6 101   2.236 -40.825   2.166
  934   2HO3  MN6 101          2HO3      MN6 101   3.084 -39.595   1.693
  935   1HO4  MN6 101          1HO4      MN6 101   0.331 -38.883  -1.961
  936   2HO4  MN6 101          2HO4      MN6 101  -0.584 -38.252  -0.854
  937   1HO5  MN6 101          1HO5      MN6 101   2.517 -39.462  -1.866
  938   2HO5  MN6 101          2HO5      MN6 101   3.458 -39.496  -0.612
  939   1HO6  MN6 101          1HO6      MN6 101  -1.061 -40.017   1.404
  940   2HO6  MN6 101          2HO6      MN6 101   0.120 -40.370   2.372
  941   1HO1  MN6 102          1HO1      MN6 102   6.740 -32.315  -9.219
  942   2HO1  MN6 102          2HO1      MN6 102   5.672 -33.273  -9.849
  943   1HO2  MN6 102          1HO2      MN6 102   3.459 -30.110  -6.584
  944   2HO2  MN6 102          2HO2      MN6 102   2.499 -31.331  -6.804
  945   1HO3  MN6 102          1HO3      MN6 102   3.951 -29.420  -9.696
  946   2HO3  MN6 102          2HO3      MN6 102   2.996 -30.538 -10.240
  947   1HO4  MN6 102          1HO4      MN6 102   6.136 -32.553  -6.982
  948   2HO4  MN6 102          2HO4      MN6 102   4.774 -33.281  -6.718
  949   1HO5  MN6 102          1HO5      MN6 102   6.286 -29.829  -8.858
  950   2HO5  MN6 102          2HO5      MN6 102   6.297 -30.150  -7.323
  951   1HO6  MN6 102          1HO6      MN6 102   3.380 -33.720  -8.612
  952   2HO6  MN6 102          2HO6      MN6 102   2.273 -32.616  -8.734
  953   1HO1  MN6 103          1HO1      MN6 103  -9.358 -14.483  -3.353
  954   2HO1  MN6 103          2HO1      MN6 103  -7.861 -14.936  -3.457
  955   1HO2  MN6 103          1HO2      MN6 103  -9.516 -15.980   1.233
  956   2HO2  MN6 103          2HO2      MN6 103  -8.553 -14.752   1.389
  957   1HO3  MN6 103          1HO3      MN6 103  -9.570 -17.436  -2.172
  958   2HO3  MN6 103          2HO3      MN6 103  -9.313 -17.782  -0.664
  959   1HO4  MN6 103          1HO4      MN6 103  -7.429 -13.470  -0.092
  960   2HO4  MN6 103          2HO4      MN6 103  -8.779 -12.950  -0.697
  961   1HO5  MN6 103          1HO5      MN6 103 -10.908 -14.566  -0.097
  962   2HO5  MN6 103          2HO5      MN6 103 -11.183 -15.250  -1.480
  963   1HO6  MN6 103          1HO6      MN6 103  -6.543 -16.335  -0.330
  964   2HO6  MN6 103          2HO6      MN6 103  -7.145 -17.216  -1.479
  965   1HO1  MN6 104          1HO1      MN6 104  -6.542  -2.360   0.003
  966   2HO1  MN6 104          2HO1      MN6 104  -6.839  -0.949  -0.611
  967   1HO2  MN6 104          1HO2      MN6 104 -11.094  -2.578  -2.133
  968   2HO2  MN6 104          2HO2      MN6 104 -10.608  -4.014  -1.733
  969   1HO3  MN6 104          1HO3      MN6 104 -10.182  -3.552   1.112
  970   2HO3  MN6 104          2HO3      MN6 104  -8.653  -3.488   1.457
  971   1HO4  MN6 104          1HO4      MN6 104  -8.750  -1.220  -2.931
  972   2HO4  MN6 104          2HO4      MN6 104  -8.755  -2.769  -3.172
  973   1HO5  MN6 104          1HO5      MN6 104  -7.962  -4.485  -1.763
  974   2HO5  MN6 104          2HO5      MN6 104  -8.685  -4.880  -0.431
  975   1HO6  MN6 104          1HO6      MN6 104 -10.552  -0.500  -0.987
  976   2HO6  MN6 104          2HO6      MN6 104 -10.164  -0.665   0.523
  977   1HO1  MN6 105          1HO1      MN6 105 -13.659  12.694   7.098
  978   2HO1  MN6 105          2HO1      MN6 105 -13.725  11.639   8.255
  979   1HO2  MN6 105          1HO2      MN6 105 -10.865   9.671   4.763
  980   2HO2  MN6 105          2HO2      MN6 105  -9.663  10.111   5.667
  981   1HO3  MN6 105          1HO3      MN6 105 -13.957  10.558   5.482
  982   2HO3  MN6 105          2HO3      MN6 105 -13.281  11.822   4.846
  983   1HO4  MN6 105          1HO4      MN6 105 -11.198  10.227   8.957
  984   2HO4  MN6 105          2HO4      MN6 105  -9.890  10.277   8.093
  985   1HO5  MN6 105          1HO5      MN6 105 -13.031   9.357   8.264
  986   2HO5  MN6 105          2HO5      MN6 105 -12.525   8.532   7.030
  987   1HO6  MN6 105          1HO6      MN6 105 -11.626  13.059   5.481
  988   2HO6  MN6 105          2HO6      MN6 105 -10.556  13.064   6.627
  989   1HO1  MN6 106          1HO1      MN6 106  -0.780  42.981   2.097
  990   2HO1  MN6 106          2HO1      MN6 106   0.085  42.043   3.009
  991   1HO2  MN6 106          1HO2      MN6 106  -3.715  39.166   1.740
  992   2HO2  MN6 106          2HO2      MN6 106  -3.421  38.794   3.235
  993   1HO3  MN6 106          1HO3      MN6 106  -3.197  43.114   3.540
  994   2HO3  MN6 106          2HO3      MN6 106  -4.385  42.166   3.155
  995   1HO4  MN6 106          1HO4      MN6 106  -0.635  39.719   1.293
  996   2HO4  MN6 106          2HO4      MN6 106  -0.069  39.769   2.755
  997   1HO5  MN6 106          1HO5      MN6 106  -0.922  40.237   4.822
  998   2HO5  MN6 106          2HO5      MN6 106  -2.029  41.258   5.257
  999   1HO6  MN6 106          1HO6      MN6 106  -2.563  42.555   0.947
 1000   2HO6  MN6 106          2HO6      MN6 106  -3.660  41.441   0.830
 1001   1HO1  MN6 107          1HO1      MN6 107  -2.981  30.097  -8.820
 1002   2HO1  MN6 107          2HO1      MN6 107  -4.536  30.202  -8.984
 1003   1HO2  MN6 107          1HO2      MN6 107  -3.350  32.718  -4.740
 1004   2HO2  MN6 107          2HO2      MN6 107  -3.593  33.835  -5.814
 1005   1HO3  MN6 107          1HO3      MN6 107  -2.942  30.193  -5.043
 1006   2HO3  MN6 107          2HO3      MN6 107  -2.239  29.752  -6.373
 1007   1HO4  MN6 107          1HO4      MN6 107  -6.226  32.054  -7.419
 1008   2HO4  MN6 107          2HO4      MN6 107  -5.406  33.373  -7.641
 1009   1HO5  MN6 107          1HO5      MN6 107  -5.022  29.474  -6.050
 1010   2HO5  MN6 107          2HO5      MN6 107  -5.067  30.543  -4.905
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.783  32.805  -7.173
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.765  33.255  -8.309
 1013   1HO1  MN6 108          1HO1      MN6 108   9.316  13.404   3.012
 1014   2HO1  MN6 108          2HO1      MN6 108  10.502  13.918   2.125
 1015   1HO2  MN6 108          1HO2      MN6 108   7.453  17.815   2.580
 1016   2HO2  MN6 108          2HO2      MN6 108   8.419  18.090   1.377
 1017   1HO3  MN6 108          1HO3      MN6 108   8.793  16.041  -0.496
 1018   2HO3  MN6 108          2HO3      MN6 108   8.961  14.507  -0.219
 1019   1HO4  MN6 108          1HO4      MN6 108   8.347  16.203   4.374
 1020   2HO4  MN6 108          2HO4      MN6 108   9.721  15.477   4.174
 1021   1HO5  MN6 108          1HO5      MN6 108  10.923  15.728   0.857
 1022   2HO5  MN6 108          2HO5      MN6 108  10.322  17.175   0.790
 1023   1HO6  MN6 108          1HO6      MN6 108   6.538  14.551   1.458
 1024   2HO6  MN6 108          2HO6      MN6 108   6.303  15.488   2.693
 1025   1HO1  MN6 109          1HO1      MN6 109   7.240   1.565   1.843
 1026   2HO1  MN6 109          2HO1      MN6 109   7.265   2.883   0.994
 1027   1HO2  MN6 109          1HO2      MN6 109  11.706   2.423   3.417
 1028   2HO2  MN6 109          2HO2      MN6 109  11.853   3.625   2.423
 1029   1HO3  MN6 109          1HO3      MN6 109   8.341   1.359   3.921
 1030   2HO3  MN6 109          2HO3      MN6 109   9.338   2.349   4.617
 1031   1HO4  MN6 109          1HO4      MN6 109  10.122   4.284   0.396
 1032   2HO4  MN6 109          2HO4      MN6 109   9.764   2.929  -0.309
 1033   1HO5  MN6 109          1HO5      MN6 109   9.106   4.886   3.262
 1034   2HO5  MN6 109          2HO5      MN6 109   7.768   4.397   2.607
 1035   1HO6  MN6 109          1HO6      MN6 109   9.543   0.236   2.484
 1036   2HO6  MN6 109          2HO6      MN6 109  10.228   0.527   1.104
 1037   1HO1  MN6 110          1HO1      MN6 110  10.396 -14.661   8.161
 1038   2HO1  MN6 110          2HO1      MN6 110   9.313 -14.385   9.260
 1039   1HO2  MN6 110          1HO2      MN6 110  11.743 -10.098   8.464
 1040   2HO2  MN6 110          2HO2      MN6 110  10.435  -9.744   7.675
 1041   1HO3  MN6 110          1HO3      MN6 110   8.683 -10.993   6.840
 1042   2HO3  MN6 110          2HO3      MN6 110   7.876 -11.289   8.151
 1043   1HO4  MN6 110          1HO4      MN6 110  12.223 -13.524   8.769
 1044   2HO4  MN6 110          2HO4      MN6 110  12.107 -12.573  10.010
 1045   1HO5  MN6 110          1HO5      MN6 110  10.817 -11.486   6.053
 1046   2HO5  MN6 110          2HO5      MN6 110  10.315 -12.972   6.062
 1047   1HO6  MN6 110          1HO6      MN6 110   8.685 -12.580  10.274
 1048   2HO6  MN6 110          2HO6      MN6 110  10.004 -12.000  10.893
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  10.985 -45.011  -6.519
    2   2H5*    G   1          2H5*        G   1  10.680 -43.279  -6.281
    3    H4*    G   1           H4*        G   1  10.749 -43.985  -8.682
    4    H3*    G   1           H3*        G   1   8.367 -42.617  -7.482
    5    H2*    G   1           H2*        G   1   7.010 -42.975  -9.350
    6   2HO*    G   1          2HO*        G   1   8.508 -43.984 -11.250
    7    H1*    G   1           H1*        G   1   7.878 -45.461 -10.111
    8    H8     G   1           H8         G   1   7.728 -45.620  -6.380
    9    H1     G   1           H1         G   1   1.909 -45.814  -9.048
   10   1H2     G   1          1H2         G   1   2.046 -45.305 -11.204
   11   2H2     G   1          2H2         G   1   3.563 -44.917 -11.984
   12    H5T    G   1           H5T        G   1   9.422 -45.131  -5.107
   13   1H5*    G   2          1H5*        G   2   8.190 -41.503 -11.241
   14   2H5*    G   2          2H5*        G   2   8.236 -39.739 -11.435
   15    H4*    G   2           H4*        G   2   6.306 -40.762 -12.595
   16    H3*    G   2           H3*        G   2   5.774 -38.865 -10.308
   17    H2*    G   2           H2*        G   2   3.487 -39.265 -10.431
   18   2HO*    G   2          2HO*        G   2   2.961 -40.469 -12.685
   19    H1*    G   2           H1*        G   2   3.586 -41.878 -11.541
   20    H8     G   2           H8         G   2   5.491 -41.669  -8.293
   21    H1     G   2           H1         G   2  -0.826 -42.388  -7.508
   22   1H2     G   2          1H2         G   2  -1.868 -42.062  -9.430
   23   2H2     G   2          2H2         G   2  -1.015 -41.686 -10.911
   24   1H5*    G   3          1H5*        G   3   3.597 -37.887 -13.414
   25   2H5*    G   3          2H5*        G   3   3.594 -36.268 -14.138
   26    H4*    G   3           H4*        G   3   1.315 -36.823 -13.809
   27    H3*    G   3           H3*        G   3   2.367 -34.944 -11.704
   28    H2*    G   3           H2*        G   3   0.399 -35.072 -10.463
   29   2HO*    G   3          2HO*        G   3  -0.886 -36.036 -12.818
   30    H1*    G   3           H1*        G   3  -0.360 -37.689 -11.101
   31    H8     G   3           H8         G   3   3.266 -37.140  -9.932
   32    H1     G   3           H1         G   3  -0.922 -38.314  -5.233
   33   1H2     G   3          1H2         G   3  -2.982 -38.331  -6.049
   34   2H2     G   3          2H2         G   3  -3.329 -38.052  -7.740
   35   1H5*    A   4          1H5*        A   4  -1.333 -34.114 -12.966
   36   2H5*    A   4          2H5*        A   4  -1.659 -32.538 -13.714
   37    H4*    A   4           H4*        A   4  -3.518 -32.994 -12.309
   38    H3*    A   4           H3*        A   4  -1.599 -31.007 -11.107
   39    H2*    A   4           H2*        A   4  -2.761 -30.969  -9.086
   40   2HO*    A   4          2HO*        A   4  -5.036 -32.255  -9.494
   41    H1*    A   4           H1*        A   4  -3.725 -33.596  -9.079
   42    H8     A   4           H8         A   4   0.022 -32.920  -9.757
   43   1H6     A   4          1H6         A   4   0.811 -33.977  -3.725
   44   2H6     A   4          2H6         A   4   1.613 -33.667  -5.248
   45    H2     A   4           H2         A   4  -3.604 -34.019  -4.567
   46   1H5*    U   5          1H5*        U   5  -5.551 -29.226 -10.437
   47   2H5*    U   5          2H5*        U   5  -5.311 -27.469 -10.337
   48    H4*    U   5           H4*        U   5  -6.107 -28.761  -8.223
   49    H3*    U   5           H3*        U   5  -3.941 -26.668  -8.308
   50    H2*    U   5           H2*        U   5  -3.315 -27.085  -6.114
   51   2HO*    U   5          2HO*        U   5  -5.458 -28.529  -5.211
   52    H1*    U   5           H1*        U   5  -4.173 -29.782  -5.916
   53    H3     U   5           H3         U   5   0.154 -30.005  -4.616
   54    H5     U   5           H5         U   5   0.361 -29.202  -8.750
   55    H6     U   5           H6         U   5  -2.048 -28.917  -8.747
   56   1H5*    A   6          1H5*        A   6  -8.092 -23.886  -5.365
   57   2H5*    A   6          2H5*        A   6  -6.612 -22.905  -5.417
   58    H4*    A   6           H4*        A   6  -7.557 -24.682  -3.144
   59    H3*    A   6           H3*        A   6  -8.080 -21.933  -3.642
   60    H2*    A   6           H2*        A   6  -6.035 -21.065  -2.955
   61   2HO*    A   6          2HO*        A   6  -6.157 -20.488  -0.882
   62    H1*    A   6           H1*        A   6  -5.460 -23.368  -1.115
   63    H8     A   6           H8         A   6  -3.942 -21.823  -4.361
   64   1H6     A   6          1H6         A   6   1.272 -21.424  -1.067
   65   2H6     A   6          2H6         A   6   0.536 -21.140  -2.628
   66    H2     A   6           H2         A   6  -1.922 -23.123   1.594
   67   1H5*    U   7          1H5*        U   7 -10.413 -22.387   0.867
   68   2H5*    U   7          2H5*        U   7 -10.794 -20.672   1.118
   69    H4*    U   7           H4*        U   7  -9.172 -20.720   2.675
   70    H3*    U   7           H3*        U   7  -7.779 -20.327   0.137
   71    H2*    U   7           H2*        U   7  -6.127 -21.882   0.455
   72   2HO*    U   7          2HO*        U   7  -4.653 -21.446   2.167
   73    H1*    U   7           H1*        U   7  -6.731 -22.373   3.334
   74    H3     U   7           H3         U   7  -7.558 -27.010   1.906
   75    H5     U   7           H5         U   7  -3.829 -25.476   0.675
   76    H6     U   7           H6         U   7  -4.615 -23.261   1.282
   77   1H5*    G   8          1H5*        G   8  -4.446 -20.795   3.809
   78   2H5*    G   8          2H5*        G   8  -4.677 -19.675   5.167
   79    H4*    G   8           H4*        G   8  -2.412 -19.445   4.814
   80    H3*    G   8           H3*        G   8  -3.858 -17.354   3.237
   81    H2*    G   8           H2*        G   8  -2.008 -16.780   1.942
   82   2HO*    G   8          2HO*        G   8   0.015 -16.842   2.679
   83    H1*    G   8           H1*        G   8  -0.756 -19.223   1.726
   84    H8     G   8           H8         G   8  -4.437 -19.811   1.219
   85    H1     G   8           H1         G   8  -1.577 -17.388  -3.963
   86   1H2     G   8          1H2         G   8   0.471 -16.714  -3.460
   87   2H2     G   8          2H2         G   8   1.136 -16.858  -1.850
   88   1H5*    G   9          1H5*        G   9  -4.166 -13.297   3.599
   89   2H5*    G   9          2H5*        G   9  -4.050 -14.968   3.009
   90    H4*    G   9           H4*        G   9  -1.498 -13.456   3.104
   91    H3*    G   9           H3*        G   9  -3.805 -12.501   1.446
   92    H2*    G   9           H2*        G   9  -2.599 -12.551  -0.558
   93   2HO*    G   9          2HO*        G   9  -0.643 -11.802  -0.547
   94    H1*    G   9           H1*        G   9  -1.043 -14.759  -0.144
   95    H8     G   9           H8         G   9  -4.100 -16.190   1.141
   96    H1     G   9           H1         G   9  -4.751 -14.906  -5.099
   97   1H2     G   9          1H2         G   9  -3.118 -13.557  -5.766
   98   2H2     G   9          2H2         G   9  -1.877 -12.974  -4.681
   99   1H5*    A  10          1H5*        A  10  -1.323  -9.073   0.809
  100   2H5*    A  10          2H5*        A  10  -2.259  -7.599   1.126
  101    H4*    A  10           H4*        A  10  -1.474  -7.861  -1.251
  102    H3*    A  10           H3*        A  10  -4.401  -7.562  -0.588
  103    H2*    A  10           H2*        A  10  -5.014  -7.886  -2.815
  104   2HO*    A  10          2HO*        A  10  -3.929  -6.966  -4.363
  105    H1*    A  10           H1*        A  10  -2.932  -9.593  -3.593
  106    H8     A  10           H8         A  10  -4.395 -11.055  -0.493
  107   1H6     A  10          1H6         A  10  -8.982 -13.300  -3.974
  108   2H6     A  10          2H6         A  10  -8.223 -13.337  -2.397
  109    H2     A  10           H2         A  10  -6.645 -10.390  -6.475
  110   1H5*    A  11          1H5*        A  11  -2.897  -4.549  -3.494
  111   2H5*    A  11          2H5*        A  11  -3.750  -2.994  -3.440
  112    H4*    A  11           H4*        A  11  -3.631  -4.054  -5.720
  113    H3*    A  11           H3*        A  11  -6.281  -3.379  -4.442
  114    H2*    A  11           H2*        A  11  -7.451  -4.307  -6.256
  115   2HO*    A  11          2HO*        A  11  -6.605  -4.526  -8.267
  116    H1*    A  11           H1*        A  11  -5.792  -6.449  -6.762
  117    H8     A  11           H8         A  11  -6.226  -6.075  -3.015
  118   1H6     A  11          1H6         A  11 -11.470  -9.288  -3.654
  119   2H6     A  11          2H6         A  11 -10.330  -8.611  -2.512
  120    H2     A  11           H2         A  11  -9.975  -8.245  -7.759
  121   1H5*    G  12          1H5*        G  12  -6.648  -0.835  -8.100
  122   2H5*    G  12          2H5*        G  12  -7.431   0.657  -7.540
  123    H4*    G  12           H4*        G  12  -8.730  -0.636  -9.265
  124    H3*    G  12           H3*        G  12  -9.933  -0.040  -6.558
  125    H2*    G  12           H2*        G  12 -11.886  -1.207  -7.143
  126   2HO*    G  12          2HO*        G  12 -12.202  -1.824  -9.428
  127    H1*    G  12           H1*        G  12 -10.707  -3.208  -8.663
  128    H8     G  12           H8         G  12  -8.737  -2.720  -5.474
  129    H1     G  12           H1         G  12 -14.053  -6.187  -4.656
  130   1H2     G  12          1H2         G  12 -15.316  -6.082  -6.483
  131   2H2     G  12          2H2         G  12 -14.849  -5.160  -7.893
  132   1H5*    A  13          1H5*        A  13 -12.671   0.639  -8.802
  133   2H5*    A  13          2H5*        A  13 -13.232   2.284  -9.161
  134    H4*    A  13           H4*        A  13 -15.253   1.286  -8.761
  135    H3*    A  13           H3*        A  13 -14.248   2.201  -6.066
  136    H2*    A  13           H2*        A  13 -16.010   1.110  -4.978
  137   2HO*    A  13          2HO*        A  13 -17.646   0.260  -6.879
  138    H1*    A  13           H1*        A  13 -16.265  -1.077  -6.679
  139    H8     A  13           H8         A  13 -12.732  -0.057  -5.485
  140   1H6     A  13          1H6         A  13 -13.567  -4.235  -1.013
  141   2H6     A  13          2H6         A  13 -12.432  -3.130  -1.755
  142    H2     A  13           H2         A  13 -17.417  -3.874  -3.305
  143   1H5*    A  14          1H5*        A  14 -18.471   2.479  -6.763
  144   2H5*    A  14          2H5*        A  14 -18.977   4.172  -6.589
  145    H4*    A  14           H4*        A  14 -20.710   2.860  -5.627
  146    H3*    A  14           H3*        A  14 -18.927   4.150  -3.568
  147    H2*    A  14           H2*        A  14 -20.044   3.058  -1.811
  148   2HO*    A  14          2HO*        A  14 -22.058   1.777  -2.542
  149    H1*    A  14           H1*        A  14 -20.433   0.624  -3.011
  150    H8     A  14           H8         A  14 -17.072   2.449  -3.616
  151   1H6     A  14          1H6         A  14 -14.920  -0.974   1.046
  152   2H6     A  14          2H6         A  14 -14.508   0.180  -0.201
  153    H2     A  14           H2         A  14 -19.336  -1.751   0.686
  154   1H5*    C  15          1H5*        C  15 -22.299   4.347  -1.838
  155   2H5*    C  15          2H5*        C  15 -22.878   5.985  -1.474
  156    H4*    C  15           H4*        C  15 -23.014   4.907   0.592
  157    H3*    C  15           H3*        C  15 -20.348   6.338   0.452
  158    H2*    C  15           H2*        C  15 -19.786   5.474   2.551
  159   2HO*    C  15          2HO*        C  15 -22.154   4.421   3.378
  160    H1*    C  15           H1*        C  15 -21.240   3.059   2.360
  161   1H4     C  15          1H4         C  15 -15.177   1.221   1.920
  162   2H4     C  15          2H4         C  15 -14.969   2.108   0.427
  163    H5     C  15           H5         C  15 -16.702   3.452  -0.564
  164    H6     C  15           H6         C  15 -18.999   4.269  -0.321
  165   1H5*    C  16          1H5*        C  16 -21.908   6.757   3.992
  166   2H5*    C  16          2H5*        C  16 -21.828   8.343   4.787
  167    H4*    C  16           H4*        C  16 -20.783   6.705   6.220
  168    H3*    C  16           H3*        C  16 -18.836   8.575   4.854
  169    H2*    C  16           H2*        C  16 -17.049   7.444   5.828
  170   2HO*    C  16          2HO*        C  16 -18.916   6.963   7.860
  171    H1*    C  16           H1*        C  16 -18.306   4.909   6.083
  172   1H4     C  16          1H4         C  16 -13.732   3.980   1.784
  173   2H4     C  16          2H4         C  16 -14.457   5.135   0.686
  174    H5     C  16           H5         C  16 -16.445   6.395   1.216
  175    H6     C  16           H6         C  16 -18.139   6.850   2.932
  176   1H5*    G  17          1H5*        G  17 -19.045   8.629   9.661
  177   2H5*    G  17          2H5*        G  17 -18.511  10.265  10.096
  178    H4*    G  17           H4*        G  17 -17.541   8.549  11.582
  179    H3*    G  17           H3*        G  17 -15.643  10.094   9.803
  180    H2*    G  17           H2*        G  17 -13.827   8.889  10.700
  181   2HO*    G  17          2HO*        G  17 -15.639   8.174  12.771
  182    H1*    G  17           H1*        G  17 -15.050   6.426  10.828
  183    H8     G  17           H8         G  17 -16.071   8.128   7.621
  184    H1     G  17           H1         G  17 -10.231   5.533   7.324
  185   1H2     G  17          1H2         G  17  -9.581   4.887   9.353
  186   2H2     G  17          2H2         G  17 -10.582   5.105  10.771
  187   1H5*    G  18          1H5*        G  18 -13.512   9.493  12.946
  188   2H5*    G  18          2H5*        G  18 -13.180  11.021  13.782
  189    H4*    G  18           H4*        G  18 -11.093   9.918  13.624
  190    H3*    G  18           H3*        G  18 -11.345  12.029  11.470
  191    H2*    G  18           H2*        G  18  -9.259  11.414  10.628
  192   2HO*    G  18          2HO*        G  18  -8.183   9.852  12.516
  193    H1*    G  18           H1*        G  18  -9.300   8.704  11.508
  194    H8     G  18           H8         G  18 -12.238   9.350   9.277
  195    H1     G  18           H1         G  18  -6.793   8.525   6.015
  196   1H2     G  18          1H2         G  18  -5.061   8.593   7.397
  197   2H2     G  18          2H2         G  18  -5.245   8.836   9.120
  198   1H5*    G  19          1H5*        G  19  -7.583  11.945  12.600
  199   2H5*    G  19          2H5*        G  19  -7.206  13.385  13.567
  200    H4*    G  19           H4*        G  19  -5.325  13.168  12.206
  201    H3*    G  19           H3*        G  19  -7.259  15.122  10.983
  202    H2*    G  19           H2*        G  19  -6.082  15.218   8.991
  203   2HO*    G  19          2HO*        G  19  -3.751  14.513   9.044
  204    H1*    G  19           H1*        G  19  -4.802  12.685   9.101
  205    H8     G  19           H8         G  19  -8.647  13.111   9.221
  206    H1     G  19           H1         G  19  -6.233  11.943   3.409
  207   1H2     G  19          1H2         G  19  -4.015  11.914   3.498
  208   2H2     G  19          2H2         G  19  -3.132  12.182   4.984
  209   1H5*    G  20          1H5*        G  20  -7.097  19.409  10.621
  210   2H5*    G  20          2H5*        G  20  -8.127  18.346   9.641
  211    H4*    G  20           H4*        G  20  -5.140  18.789   9.435
  212    H3*    G  20           H3*        G  20  -7.501  19.367   7.681
  213    H2*    G  20           H2*        G  20  -6.460  18.565   5.737
  214   2HO*    G  20          2HO*        G  20  -3.943  18.109   6.806
  215    H1*    G  20           H1*        G  20  -5.193  16.387   6.751
  216    H8     G  20           H8         G  20  -8.257  16.194   8.754
  217    H1     G  20           H1         G  20  -9.542  15.101   2.580
  218   1H2     G  20          1H2         G  20  -7.807  15.649   1.337
  219   2H2     G  20          2H2         G  20  -6.332  16.297   2.015
  220   1H5*    A  21          1H5*        A  21  -8.240  23.884   7.011
  221   2H5*    A  21          2H5*        A  21  -9.080  22.423   6.457
  222    H4*    A  21           H4*        A  21  -9.032  24.328   4.802
  223    H3*    A  21           H3*        A  21  -8.138  21.552   4.188
  224    H2*    A  21           H2*        A  21  -7.047  22.096   2.199
  225   2HO*    A  21          2HO*        A  21  -9.097  23.551   1.767
  226    H1*    A  21           H1*        A  21  -6.081  24.590   2.784
  227    H8     A  21           H8         A  21  -5.655  22.366   5.816
  228   1H6     A  21          1H6         A  21  -0.355  20.463   3.298
  229   2H6     A  21          2H6         A  21  -1.360  20.438   4.730
  230    H2     A  21           H2         A  21  -2.539  22.912   0.225
  231   1H5*    A  22          1H5*        A  22 -10.413  19.393   1.030
  232   2H5*    A  22          2H5*        A  22  -9.198  18.316   1.749
  233    H4*    A  22           H4*        A  22  -8.956  20.245  -0.463
  234    H3*    A  22           H3*        A  22  -7.625  17.693   0.386
  235    H2*    A  22           H2*        A  22  -5.537  18.307  -0.431
  236   2HO*    A  22          2HO*        A  22  -5.504  20.248  -1.946
  237    H1*    A  22           H1*        A  22  -5.627  21.049  -0.051
  238    H8     A  22           H8         A  22  -6.687  20.210   3.260
  239   1H6     A  22          1H6         A  22  -1.101  17.919   4.544
  240   2H6     A  22          2H6         A  22  -2.618  18.470   5.215
  241    H2     A  22           H2         A  22  -1.431  18.340   0.079
  242   1H5*    A  23          1H5*        A  23  -6.783  16.510  -4.784
  243   2H5*    A  23          2H5*        A  23  -6.998  14.979  -3.911
  244    H4*    A  23           H4*        A  23  -4.689  15.756  -5.149
  245    H3*    A  23           H3*        A  23  -5.277  13.784  -2.975
  246    H2*    A  23           H2*        A  23  -3.054  13.649  -2.250
  247   2HO*    A  23          2HO*        A  23  -2.521  14.438  -4.877
  248    H1*    A  23           H1*        A  23  -2.293  16.243  -2.516
  249    H8     A  23           H8         A  23  -5.930  15.804  -1.363
  250   1H6     A  23          1H6         A  23  -3.700  16.011   4.392
  251   2H6     A  23          2H6         A  23  -5.155  15.991   3.415
  252    H2     A  23           H2         A  23  -0.205  15.912   1.547
  253   1H5*    C  24          1H5*        C  24  -2.888  11.497  -4.968
  254   2H5*    C  24          2H5*        C  24  -3.255   9.761  -5.039
  255    H4*    C  24           H4*        C  24  -1.522  10.416  -3.328
  256    H3*    C  24           H3*        C  24  -4.046   8.972  -2.493
  257    H2*    C  24           H2*        C  24  -3.352   9.036  -0.249
  258   2HO*    C  24          2HO*        C  24  -0.754   9.888  -1.003
  259    H1*    C  24           H1*        C  24  -2.141  11.531  -0.292
  260   1H4     C  24          1H4         C  24  -7.861  12.413   2.366
  261   2H4     C  24          2H4         C  24  -8.624  12.369   0.793
  262    H5     C  24           H5         C  24  -7.417  11.929  -1.248
  263    H6     C  24           H6         C  24  -5.230  11.387  -2.211
  264   1H5*    U  25          1H5*        U  25  -1.150   7.552  -0.288
  265   2H5*    U  25          2H5*        U  25  -1.061   5.781  -0.220
  266    H4*    U  25           H4*        U  25  -1.204   6.794   2.028
  267    H3*    U  25           H3*        U  25  -3.520   5.070   1.124
  268    H2*    U  25           H2*        U  25  -4.630   5.489   3.139
  269   2HO*    U  25          2HO*        U  25  -2.864   6.704   4.705
  270    H1*    U  25           H1*        U  25  -3.622   8.075   3.606
  271    H3     U  25           H3         U  25  -8.122   8.644   3.509
  272    H5     U  25           H5         U  25  -7.055   8.014  -0.521
  273    H6     U  25           H6         U  25  -4.810   7.484   0.225
  274   1H5*    U  26          1H5*        U  26  -2.588   4.422   4.757
  275   2H5*    U  26          2H5*        U  26  -1.853   2.874   5.215
  276    H4*    U  26           H4*        U  26  -3.269   3.144   6.995
  277    H3*    U  26           H3*        U  26  -4.951   1.812   4.864
  278    H2*    U  26           H2*        U  26  -6.850   2.019   6.212
  279   2HO*    U  26          2HO*        U  26  -5.627   2.858   8.545
  280    H1*    U  26           H1*        U  26  -6.210   4.442   7.443
  281    H3     U  26           H3         U  26  -9.857   5.790   5.184
  282    H5     U  26           H5         U  26  -7.258   4.512   2.126
  283    H6     U  26           H6         U  26  -5.706   3.780   3.841
  284   1H5*    G  27          1H5*        G  27  -5.758   0.259   8.560
  285   2H5*    G  27          2H5*        G  27  -6.322  -1.424   8.587
  286    H4*    G  27           H4*        G  27  -7.985   0.237   9.458
  287    H3*    G  27           H3*        G  27  -8.723  -1.420   7.029
  288    H2*    G  27           H2*        G  27 -10.808  -0.370   7.004
  289   2HO*    G  27          2HO*        G  27 -10.353   0.281   9.740
  290    H1*    G  27           H1*        G  27  -9.960   2.081   8.170
  291    H8     G  27           H8         G  27  -8.226   0.919   4.943
  292    H1     G  27           H1         G  27 -13.540   4.374   4.035
  293   1H2     G  27          1H2         G  27 -14.561   4.708   5.980
  294   2H2     G  27          2H2         G  27 -13.933   4.084   7.489
  295   1H5*    G  28          1H5*        G  28 -11.554  -2.709  10.621
  296   2H5*    G  28          2H5*        G  28 -11.643  -4.466  10.387
  297    H4*    G  28           H4*        G  28 -13.874  -3.649  10.756
  298    H3*    G  28           H3*        G  28 -13.306  -4.429   7.892
  299    H2*    G  28           H2*        G  28 -15.474  -3.761   7.250
  300   2HO*    G  28          2HO*        G  28 -16.397  -3.186   9.816
  301    H1*    G  28           H1*        G  28 -15.650  -1.493   8.774
  302    H8     G  28           H8         G  28 -12.160  -2.054   7.303
  303    H1     G  28           H1         G  28 -16.217   0.867   3.308
  304   1H2     G  28          1H2         G  28 -18.252   0.923   4.203
  305   2H2     G  28          2H2         G  28 -18.616   0.214   5.760
  306   1H5*    U  29          1H5*        U  29 -17.164  -6.412   8.629
  307   2H5*    U  29          2H5*        U  29 -16.892  -8.092   8.126
  308    H4*    U  29           H4*        U  29 -18.880  -7.175   7.033
  309    H3*    U  29           H3*        U  29 -16.510  -7.731   5.238
  310    H2*    U  29           H2*        U  29 -17.695  -6.918   3.392
  311   2HO*    U  29          2HO*        U  29 -19.702  -8.163   4.521
  312    H1*    U  29           H1*        U  29 -19.220  -4.977   4.726
  313    H3     U  29           H3         U  29 -16.852  -2.563   1.712
  314    H5     U  29           H5         U  29 -13.970  -3.790   4.536
  315    H6     U  29           H6         U  29 -15.679  -5.154   5.588
  316   1H5*    U  30          1H5*        U  30 -20.420  -9.537   3.656
  317   2H5*    U  30          2H5*        U  30 -19.951 -11.046   2.849
  318    H4*    U  30           H4*        U  30 -21.387  -9.536   1.456
  319    H3*    U  30           H3*        U  30 -18.618 -10.279   0.486
  320    H2*    U  30           H2*        U  30 -18.970  -9.000  -1.462
  321   2HO*    U  30          2HO*        U  30 -20.869  -9.250  -2.335
  322    H1*    U  30           H1*        U  30 -20.342  -6.911  -0.285
  323    H3     U  30           H3         U  30 -16.448  -4.956  -1.477
  324    H5     U  30           H5         U  30 -15.379  -7.447   1.751
  325    H6     U  30           H6         U  30 -17.638  -8.335   1.727
  326   1H5*    C  31          1H5*        C  31 -21.082 -11.027  -2.864
  327   2H5*    C  31          2H5*        C  31 -20.418 -12.390  -3.788
  328    H4*    C  31           H4*        C  31 -20.478 -10.193  -5.023
  329    H3*    C  31           H3*        C  31 -17.840 -11.624  -4.607
  330    H2*    C  31           H2*        C  31 -16.751  -9.909  -5.772
  331   2HO*    C  31          2HO*        C  31 -17.629  -9.270  -7.561
  332    H1*    C  31           H1*        C  31 -18.444  -7.805  -4.987
  333   1H4     C  31          1H4         C  31 -13.060  -6.878  -1.738
  334   2H4     C  31          2H4         C  31 -13.441  -8.210  -0.671
  335    H5     C  31           H5         C  31 -15.365  -9.631  -0.966
  336    H6     C  31           H6         C  31 -17.324 -10.097  -2.364
  337   1H5*    U  32          1H5*        U  32 -18.351 -11.344  -9.181
  338   2H5*    U  32          2H5*        U  32 -17.876 -12.965  -9.729
  339    H4*    U  32           H4*        U  32 -16.695 -11.233 -10.996
  340    H3*    U  32           H3*        U  32 -15.091 -13.031  -9.196
  341    H2*    U  32           H2*        U  32 -13.117 -11.825  -9.558
  342   2HO*    U  32          2HO*        U  32 -12.705 -10.715 -11.371
  343    H1*    U  32           H1*        U  32 -14.152  -9.283  -9.667
  344    H3     U  32           H3         U  32 -11.967  -9.126  -5.729
  345    H5     U  32           H5         U  32 -15.189 -11.727  -4.962
  346    H6     U  32           H6         U  32 -15.766 -11.600  -7.316
  347   1H5*    U  33          1H5*        U  33 -13.255 -12.341 -12.878
  348   2H5*    U  33          2H5*        U  33 -12.364 -13.693 -13.605
  349    H4*    U  33           H4*        U  33 -11.015 -11.593 -13.299
  350    H3*    U  33           H3*        U  33 -10.172 -14.207 -12.067
  351    H2*    U  33           H2*        U  33  -8.456 -13.214 -10.864
  352   2HO*    U  33          2HO*        U  33  -8.114 -10.799 -11.929
  353    H1*    U  33           H1*        U  33  -9.509 -10.594 -10.653
  354    H3     U  33           H3         U  33  -8.742 -11.598  -6.318
  355    H5     U  33           H5         U  33 -11.867 -14.198  -7.417
  356    H6     U  33           H6         U  33 -11.621 -13.427  -9.704
  357   1H5*    C  34          1H5*        C  34  -5.177 -14.472 -14.215
  358   2H5*    C  34          2H5*        C  34  -5.825 -15.275 -12.770
  359    H4*    C  34           H4*        C  34  -4.232 -12.710 -12.950
  360    H3*    C  34           H3*        C  34  -3.800 -15.412 -11.705
  361    H2*    C  34           H2*        C  34  -2.936 -14.516  -9.739
  362   2HO*    C  34          2HO*        C  34  -2.003 -12.608 -11.473
  363    H1*    C  34           H1*        C  34  -4.363 -12.125  -9.640
  364   1H4     C  34          1H4         C  34  -6.958 -16.094  -5.351
  365   2H4     C  34          2H4         C  34  -8.116 -16.595  -6.563
  366    H5     C  34           H5         C  34  -8.002 -15.901  -8.865
  367    H6     C  34           H6         C  34  -6.757 -14.571 -10.505
  368   1H5*    C  35          1H5*        C  35   1.304 -16.433 -12.065
  369   2H5*    C  35          2H5*        C  35   0.085 -17.154 -10.995
  370    H4*    C  35           H4*        C  35   2.292 -15.217 -10.351
  371    H3*    C  35           H3*        C  35   1.427 -17.909  -9.403
  372    H2*    C  35           H2*        C  35   1.601 -17.420  -7.136
  373   2HO*    C  35          2HO*        C  35   3.557 -15.647  -8.045
  374    H1*    C  35           H1*        C  35   0.917 -14.758  -7.108
  375   1H4     C  35          1H4         C  35  -4.319 -18.091  -5.520
  376   2H4     C  35          2H4         C  35  -4.855 -17.951  -7.179
  377    H5     C  35           H5         C  35  -3.497 -17.023  -8.931
  378    H6     C  35           H6         C  35  -1.326 -16.030  -9.481
  379   1H5*    U  36          1H5*        U  36   5.788 -19.816  -9.641
  380   2H5*    U  36          2H5*        U  36   4.914 -21.354  -9.483
  381    H4*    U  36           H4*        U  36   5.881 -19.601  -7.421
  382    H3*    U  36           H3*        U  36   4.593 -22.317  -7.541
  383    H2*    U  36           H2*        U  36   3.779 -22.167  -5.378
  384   2HO*    U  36          2HO*        U  36   4.817 -20.996  -3.769
  385    H1*    U  36           H1*        U  36   3.616 -19.352  -5.139
  386    H3     U  36           H3         U  36  -0.354 -21.570  -4.092
  387    H5     U  36           H5         U  36  -0.524 -20.474  -8.160
  388    H6     U  36           H6         U  36   1.836 -19.917  -8.040
  389   1H5*    A  37          1H5*        A  37   7.236 -25.398  -4.534
  390   2H5*    A  37          2H5*        A  37   5.722 -25.825  -5.359
  391    H4*    A  37           H4*        A  37   6.062 -24.706  -2.561
  392    H3*    A  37           H3*        A  37   6.039 -27.348  -3.293
  393    H2*    A  37           H2*        A  37   3.912 -27.529  -4.238
  394   2HO*    A  37          2HO*        A  37   3.295 -27.472  -1.455
  395    H1*    A  37           H1*        A  37   2.564 -25.563  -2.465
  396    H8     A  37           H8         A  37   3.770 -25.145  -6.121
  397   1H6     A  37          1H6         A  37  -2.220 -25.409  -7.606
  398   2H6     A  37          2H6         A  37  -0.600 -25.150  -8.210
  399    H2     A  37           H2         A  37  -1.854 -26.188  -3.194
  400   1H5*    A  38          1H5*        A  38   6.866 -26.894   1.932
  401   2H5*    A  38          2H5*        A  38   7.109 -28.647   2.079
  402    H4*    A  38           H4*        A  38   5.984 -27.818   4.062
  403    H3*    A  38           H3*        A  38   4.443 -29.608   2.222
  404    H2*    A  38           H2*        A  38   2.394 -29.220   3.256
  405   2HO*    A  38          2HO*        A  38   3.208 -27.898   5.516
  406    H1*    A  38           H1*        A  38   2.725 -26.601   4.077
  407    H8     A  38           H8         A  38   3.954 -26.532   0.586
  408   1H6     A  38          1H6         A  38  -1.924 -26.584  -1.314
  409   2H6     A  38          2H6         A  38  -0.259 -26.342  -1.794
  410    H2     A  38           H2         A  38  -1.880 -27.568   3.072
  411   1H5*    G  39          1H5*        G  39   2.745 -33.566   4.903
  412   2H5*    G  39          2H5*        G  39   2.457 -33.170   3.196
  413    H4*    G  39           H4*        G  39   0.753 -32.577   5.607
  414    H3*    G  39           H3*        G  39   0.433 -34.096   3.073
  415    H2*    G  39           H2*        G  39  -1.571 -33.118   2.419
  416   2HO*    G  39          2HO*        G  39  -1.955 -33.004   5.148
  417    H1*    G  39           H1*        G  39  -1.316 -30.581   3.418
  418    H8     G  39           H8         G  39   2.048 -31.272   1.987
  419    H1     G  39           H1         G  39  -2.325 -30.190  -2.563
  420   1H2     G  39          1H2         G  39  -4.362 -30.240  -1.685
  421   2H2     G  39          2H2         G  39  -4.645 -30.539   0.015
  422   1H5*    U  40          1H5*        U  40  -3.164 -34.940   4.677
  423   2H5*    U  40          2H5*        U  40  -3.436 -36.674   4.946
  424    H4*    U  40           H4*        U  40  -5.229 -35.852   3.576
  425    H3*    U  40           H3*        U  40  -3.212 -37.573   2.158
  426    H2*    U  40           H2*        U  40  -4.150 -37.159   0.062
  427   2HO*    U  40          2HO*        U  40  -6.473 -36.757   1.568
  428    H1*    U  40           H1*        U  40  -4.994 -34.549   0.433
  429    H3     U  40           H3         U  40  -1.799 -34.133  -2.741
  430    H5     U  40           H5         U  40   0.364 -34.945   0.784
  431    H6     U  40           H6         U  40  -1.750 -35.316   1.918
  432   1H5*    C  41          1H5*        C  41  -6.978 -38.438   1.035
  433   2H5*    C  41          2H5*        C  41  -7.551 -40.119   1.042
  434    H4*    C  41           H4*        C  41  -8.098 -39.148  -1.092
  435    H3*    C  41           H3*        C  41  -5.811 -41.119  -1.163
  436    H2*    C  41           H2*        C  41  -5.469 -40.718  -3.440
  437   2HO*    C  41          2HO*        C  41  -7.534 -39.200  -4.192
  438    H1*    C  41           H1*        C  41  -6.176 -38.020  -3.495
  439   1H4     C  41          1H4         C  41   0.174 -38.024  -3.756
  440   2H4     C  41          2H4         C  41   0.280 -38.542  -2.089
  441    H5     C  41           H5         C  41  -1.650 -39.051  -0.739
  442    H6     C  41           H6         C  41  -4.096 -39.213  -0.709
  443   1H5*    C  42          1H5*        C  42  -8.537 -41.721  -4.375
  444   2H5*    C  42          2H5*        C  42  -9.071 -43.412  -4.451
  445    H4*    C  42           H4*        C  42  -8.511 -42.678  -6.680
  446    H3*    C  42           H3*        C  42  -6.556 -44.614  -5.441
  447    H2*    C  42           H2*        C  42  -5.155 -44.482  -7.324
  448   2HO*    C  42          2HO*        C  42  -5.904 -43.523  -9.299
  449    H1*    C  42           H1*        C  42  -5.446 -41.799  -7.862
  450   1H4     C  42          1H4         C  42  -0.105 -42.088  -4.409
  451   2H4     C  42          2H4         C  42  -1.027 -42.399  -2.956
  452    H5     C  42           H5         C  42  -3.412 -42.679  -2.940
  453    H6     C  42           H6         C  42  -5.441 -42.734  -4.314
  454   1H5*    U  43          1H5*        U  43  -6.741 -45.224  -9.289
  455   2H5*    U  43          2H5*        U  43  -6.944 -46.911  -9.801
  456    H4*    U  43           H4*        U  43  -4.969 -45.775 -10.826
  457    H3*    U  43           H3*        U  43  -4.634 -48.236  -9.138
  458    H2*    U  43           H2*        U  43  -2.376 -47.955  -8.953
  459   2HO*    U  43          2HO*        U  43  -1.432 -48.233 -10.798
  460    H1*    U  43           H1*        U  43  -2.293 -45.242 -10.078
  461    H3     U  43           H3         U  43   1.135 -45.060  -7.140
  462    H5     U  43           H5         U  43  -2.279 -45.537  -4.711
  463    H6     U  43           H6         U  43  -3.580 -45.875  -6.732
  464    H3T    U  43           H3T        U  43  -3.670 -48.406 -11.597
  465   1H5*    G  44          1H5*        G  44  -6.867  45.643  -6.430
  466   2H5*    G  44          2H5*        G  44  -7.089  43.881  -6.411
  467    H4*    G  44           H4*        G  44  -5.973  44.634  -8.472
  468    H3*    G  44           H3*        G  44  -4.494  42.844  -6.565
  469    H2*    G  44           H2*        G  44  -2.480  43.030  -7.742
  470   2HO*    G  44          2HO*        G  44  -4.116  43.864  -9.911
  471    H1*    G  44           H1*        G  44  -2.634  45.659  -8.514
  472    H8     G  44           H8         G  44  -3.899  45.335  -4.957
  473    H1     G  44           H1         G  44   2.489  45.447  -5.374
  474   1H2     G  44          1H2         G  44   3.115  45.290  -7.494
  475   2H2     G  44          2H2         G  44   1.965  45.156  -8.806
  476    H5T    G  44           H5T        G  44  -4.986  43.931  -5.206
  477   1H5*    G  45          1H5*        G  45  -2.913  42.036 -10.030
  478   2H5*    G  45          2H5*        G  45  -3.171  40.347 -10.512
  479    H4*    G  45           H4*        G  45  -0.822  40.911 -10.749
  480    H3*    G  45           H3*        G  45  -1.485  39.017  -8.490
  481    H2*    G  45           H2*        G  45   0.734  39.005  -7.792
  482   2HO*    G  45          2HO*        G  45   1.852  40.125 -10.079
  483    H1*    G  45           H1*        G  45   1.472  41.572  -8.770
  484    H8     G  45           H8         G  45  -1.467  41.576  -6.353
  485    H1     G  45           H1         G  45   4.268  41.720  -3.503
  486   1H2     G  45          1H2         G  45   5.864  41.345  -4.991
  487   2H2     G  45          2H2         G  45   5.521  41.068  -6.685
  488   1H5*    G  46          1H5*        G  46   1.618  37.966 -10.930
  489   2H5*    G  46          2H5*        G  46   1.724  36.319 -11.584
  490    H4*    G  46           H4*        G  46   3.899  37.000 -10.754
  491    H3*    G  46           H3*        G  46   2.480  34.875  -9.149
  492    H2*    G  46           H2*        G  46   4.170  34.866  -7.540
  493   2HO*    G  46          2HO*        G  46   6.222  35.107  -8.040
  494    H1*    G  46           H1*        G  46   4.923  37.561  -7.705
  495    H8     G  46           H8         G  46   1.163  36.898  -7.347
  496    H1     G  46           H1         G  46   4.326  37.288  -1.792
  497   1H2     G  46          1H2         G  46   6.516  37.372  -2.176
  498   2H2     G  46          2H2         G  46   7.190  37.331  -3.789
  499   1H5*    A  47          1H5*        A  47   6.325  33.819  -9.398
  500   2H5*    A  47          2H5*        A  47   6.640  32.177  -9.996
  501    H4*    A  47           H4*        A  47   7.847  32.518  -7.922
  502    H3*    A  47           H3*        A  47   5.500  30.630  -7.782
  503    H2*    A  47           H2*        A  47   5.711  30.410  -5.478
  504   2HO*    A  47          2HO*        A  47   8.426  31.195  -5.835
  505    H1*    A  47           H1*        A  47   6.888  32.921  -4.913
  506    H8     A  47           H8         A  47   3.545  32.766  -6.826
  507   1H6     A  47          1H6         A  47   0.867  33.426  -1.306
  508   2H6     A  47          2H6         A  47   0.604  33.356  -3.033
  509    H2     A  47           H2         A  47   5.287  32.936  -0.644
  510   1H5*    U  48          1H5*        U  48   8.749  28.736  -5.696
  511   2H5*    U  48          2H5*        U  48   8.639  26.974  -5.883
  512    H4*    U  48           H4*        U  48   8.479  27.861  -3.504
  513    H3*    U  48           H3*        U  48   6.407  26.042  -4.720
  514    H2*    U  48           H2*        U  48   5.003  26.261  -2.884
  515   2HO*    U  48          2HO*        U  48   5.805  26.011  -0.964
  516    H1*    U  48           H1*        U  48   5.879  28.801  -1.969
  517    H3     U  48           H3         U  48   1.445  29.495  -2.322
  518    H5     U  48           H5         U  48   2.685  28.934  -6.313
  519    H6     U  48           H6         U  48   4.893  28.373  -5.475
  520   1H5*    A  49          1H5*        A  49   9.221  22.270  -0.825
  521   2H5*    A  49          2H5*        A  49   7.486  22.020  -1.108
  522    H4*    A  49           H4*        A  49   8.575  23.694   1.172
  523    H3*    A  49           H3*        A  49   8.894  20.938   1.083
  524    H2*    A  49           H2*        A  49   6.650  20.283   1.121
  525   2HO*    A  49          2HO*        A  49   7.473  20.838   3.739
  526    H1*    A  49           H1*        A  49   5.753  22.601   2.787
  527    H8     A  49           H8         A  49   5.193  21.468  -0.901
  528   1H6     A  49          1H6         A  49  -0.769  21.114   0.693
  529   2H6     A  49          2H6         A  49   0.376  20.948  -0.617
  530    H2     A  49           H2         A  49   1.576  22.264   4.347
  531   1H5*    U  50          1H5*        U  50   9.156  22.238   6.216
  532   2H5*    U  50          2H5*        U  50   9.525  20.597   6.784
  533    H4*    U  50           H4*        U  50   7.777  20.935   8.175
  534    H3*    U  50           H3*        U  50   6.804  19.583   5.946
  535    H2*    U  50           H2*        U  50   5.678  21.353   4.906
  536   2HO*    U  50          2HO*        U  50   3.655  21.380   6.753
  537    H1*    U  50           H1*        U  50   4.947  22.671   7.500
  538    H3     U  50           H3         U  50   6.762  26.742   5.423
  539    H5     U  50           H5         U  50   3.822  24.803   3.105
  540    H6     U  50           H6         U  50   4.041  22.873   4.563
  541   1H5*    G  51          1H5*        G  51   2.452  20.136   7.128
  542   2H5*    G  51          2H5*        G  51   2.431  18.668   8.127
  543    H4*    G  51           H4*        G  51   0.445  18.565   6.862
  544    H3*    G  51           H3*        G  51   2.611  16.798   5.780
  545    H2*    G  51           H2*        G  51   1.488  16.347   3.799
  546   2HO*    G  51          2HO*        G  51  -0.838  16.698   3.655
  547    H1*    G  51           H1*        G  51   0.065  18.713   3.475
  548    H8     G  51           H8         G  51   3.641  19.566   4.246
  549    H1     G  51           H1         G  51   2.774  17.773  -1.836
  550   1H2     G  51          1H2         G  51   0.745  16.918  -2.092
  551   2H2     G  51          2H2         G  51  -0.394  16.790  -0.773
  552   1H5*    G  52          1H5*        G  52   1.655  12.639   4.784
  553   2H5*    G  52          2H5*        G  52   2.533  13.925   3.930
  554    H4*    G  52           H4*        G  52  -0.151  12.803   3.066
  555    H3*    G  52           H3*        G  52   2.635  11.951   2.376
  556    H2*    G  52           H2*        G  52   2.287  12.060   0.068
  557   2HO*    G  52          2HO*        G  52   0.430  10.855  -0.104
  558    H1*    G  52           H1*        G  52   0.614  14.222  -0.083
  559    H8     G  52           H8         G  52   2.975  15.521   2.383
  560    H1     G  52           H1         G  52   5.786  14.898  -3.336
  561   1H2     G  52          1H2         G  52   4.519  13.649  -4.667
  562   2H2     G  52          2H2         G  52   2.992  12.971  -4.149
  563   1H5*    A  53          1H5*        A  53   0.350   8.464   1.038
  564   2H5*    A  53          2H5*        A  53   1.204   6.954   1.412
  565    H4*    A  53           H4*        A  53   0.976   7.450  -1.042
  566    H3*    A  53           H3*        A  53   3.662   7.039   0.250
  567    H2*    A  53           H2*        A  53   4.806   7.637  -1.681
  568   2HO*    A  53          2HO*        A  53   4.014   6.300  -3.187
  569    H1*    A  53           H1*        A  53   2.929   9.398  -2.804
  570    H8     A  53           H8         A  53   3.611  10.445   0.732
  571   1H6     A  53          1H6         A  53   8.674  13.299  -1.353
  572   2H6     A  53          2H6         A  53   7.606  13.081   0.013
  573    H2     A  53           H2         A  53   7.065  10.748  -4.682
  574   1H5*    A  54          1H5*        A  54   3.121   4.652  -3.795
  575   2H5*    A  54          2H5*        A  54   3.834   3.083  -3.370
  576    H4*    A  54           H4*        A  54   4.578   3.974  -5.589
  577    H3*    A  54           H3*        A  54   6.542   3.344  -3.405
  578    H2*    A  54           H2*        A  54   8.351   4.240  -4.604
  579   2HO*    A  54          2HO*        A  54   7.033   3.287  -6.686
  580    H1*    A  54           H1*        A  54   7.123   6.412  -5.709
  581    H8     A  54           H8         A  54   5.870   5.776  -2.152
  582   1H6     A  54          1H6         A  54  10.584   9.301  -0.288
  583   2H6     A  54          2H6         A  54   9.121   8.478   0.202
  584    H2     A  54           H2         A  54  11.081   8.546  -4.692
  585   1H5*    G  55          1H5*        G  55   8.448   1.644  -6.617
  586   2H5*    G  55          2H5*        G  55   9.138   0.057  -6.226
  587    H4*    G  55           H4*        G  55  10.870   1.687  -6.883
  588    H3*    G  55           H3*        G  55  10.936   0.711  -4.015
  589    H2*    G  55           H2*        G  55  12.851   2.027  -3.652
  590   2HO*    G  55          2HO*        G  55  13.773   3.007  -5.784
  591    H1*    G  55           H1*        G  55  12.164   4.128  -5.376
  592    H8     G  55           H8         G  55   9.362   3.167  -2.983
  593    H1     G  55           H1         G  55  13.747   7.044  -0.401
  594   1H2     G  55          1H2         G  55  15.469   7.269  -1.781
  595   2H2     G  55          2H2         G  55  15.541   6.462  -3.329
  596   1H5*    A  56          1H5*        A  56  14.547   0.565  -5.405
  597   2H5*    A  56          2H5*        A  56  15.327  -1.028  -5.461
  598    H4*    A  56           H4*        A  56  16.975   0.341  -4.526
  599    H3*    A  56           H3*        A  56  15.453  -1.060  -2.331
  600    H2*    A  56           H2*        A  56  16.576   0.150  -0.693
  601   2HO*    A  56          2HO*        A  56  18.623   1.202  -1.198
  602    H1*    A  56           H1*        A  56  17.084   2.496  -2.167
  603    H8     A  56           H8         A  56  13.514   1.040  -1.826
  604   1H6     A  56          1H6         A  56  12.825   5.070   2.797
  605   2H6     A  56          2H6         A  56  12.029   3.877   1.796
  606    H2     A  56           H2         A  56  17.099   5.275   1.415
  607   1H5*    A  57          1H5*        A  57  19.975  -1.407  -1.677
  608   2H5*    A  57          2H5*        A  57  20.220  -3.046  -1.044
  609    H4*    A  57           H4*        A  57  21.333  -1.335   0.345
  610    H3*    A  57           H3*        A  57  19.055  -2.888   1.594
  611    H2*    A  57           H2*        A  57  19.367  -1.701   3.608
  612   2HO*    A  57          2HO*        A  57  21.259  -0.923   4.225
  613    H1*    A  57           H1*        A  57  19.921   0.766   2.493
  614    H8     A  57           H8         A  57  17.073  -1.263   0.869
  615   1H6     A  57          1H6         A  57  13.317   1.781   4.715
  616   2H6     A  57          2H6         A  57  13.401   0.681   3.357
  617    H2     A  57           H2         A  57  17.555   2.809   5.815
  618   1H5*    C  58          1H5*        C  58  22.239  -3.472   4.547
  619   2H5*    C  58          2H5*        C  58  22.111  -5.175   5.030
  620    H4*    C  58           H4*        C  58  21.928  -3.664   6.965
  621    H3*    C  58           H3*        C  58  19.453  -5.250   6.235
  622    H2*    C  58           H2*        C  58  18.310  -4.261   8.026
  623   2HO*    C  58          2HO*        C  58  20.705  -3.252   9.146
  624    H1*    C  58           H1*        C  58  19.613  -1.769   7.964
  625   1H4     C  58          1H4         C  58  13.844  -0.591   5.572
  626   2H4     C  58          2H4         C  58  14.218  -1.500   4.125
  627    H5     C  58           H5         C  58  16.293  -2.681   3.807
  628    H6     C  58           H6         C  58  18.447  -3.271   4.818
  629   1H5*    C  59          1H5*        C  59  19.827  -5.646  10.188
  630   2H5*    C  59          2H5*        C  59  19.561  -7.291  10.800
  631    H4*    C  59           H4*        C  59  17.999  -5.750  11.854
  632    H3*    C  59           H3*        C  59  16.774  -7.688   9.880
  633    H2*    C  59           H2*        C  59  14.680  -6.725  10.213
  634   2HO*    C  59          2HO*        C  59  14.785  -5.175  12.306
  635    H1*    C  59           H1*        C  59  15.571  -4.117  10.901
  636   1H4     C  59          1H4         C  59  12.636  -3.490   5.298
  637   2H4     C  59          2H4         C  59  13.877  -4.428   4.495
  638    H5     C  59           H5         C  59  15.736  -5.428   5.658
  639    H6     C  59           H6         C  59  16.772  -5.798   7.850
  640   1H5*    G  60          1H5*        G  60  15.293  -7.880  14.403
  641   2H5*    G  60          2H5*        G  60  14.832  -9.575  14.657
  642    H4*    G  60           H4*        G  60  13.217  -8.005  15.674
  643    H3*    G  60           H3*        G  60  12.260  -9.753  13.402
  644    H2*    G  60           H2*        G  60  10.128  -8.777  13.522
  645   2HO*    G  60          2HO*        G  60  10.616  -7.339  15.874
  646    H1*    G  60           H1*        G  60  10.918  -6.189  14.129
  647    H8     G  60           H8         G  60  13.094  -7.641  11.392
  648    H1     G  60           H1         G  60   7.480  -5.422   9.259
  649   1H2     G  60          1H2         G  60   6.159  -4.931  10.972
  650   2H2     G  60          2H2         G  60   6.653  -5.152  12.636
  651   1H5*    G  61          1H5*        G  61   9.109  -9.450  15.605
  652   2H5*    G  61          2H5*        G  61   8.806 -10.983  16.445
  653    H4*    G  61           H4*        G  61   6.691 -10.383  15.655
  654    H3*    G  61           H3*        G  61   7.974 -12.261  13.664
  655    H2*    G  61           H2*        G  61   6.175 -11.993  12.209
  656   2HO*    G  61          2HO*        G  61   4.728 -11.422  14.574
  657    H1*    G  61           H1*        G  61   5.403  -9.383  13.030
  658    H8     G  61           H8         G  61   9.020  -9.708  11.880
  659    H1     G  61           H1         G  61   4.857  -8.823   7.099
  660   1H2     G  61          1H2         G  61   2.777  -8.972   7.862
  661   2H2     G  61          2H2         G  61   2.417  -9.291   9.544
  662   1H5*    G  62          1H5*        G  62   3.993 -12.945  13.734
  663   2H5*    G  62          2H5*        G  62   3.672 -14.570  14.370
  664    H4*    G  62           H4*        G  62   2.244 -14.340  12.501
  665    H3*    G  62           H3*        G  62   4.710 -15.938  11.811
  666    H2*    G  62           H2*        G  62   4.115 -16.002   9.567
  667   2HO*    G  62          2HO*        G  62   1.480 -15.218   9.750
  668    H1*    G  62           H1*        G  62   2.562 -13.623   9.478
  669    H8     G  62           H8         G  62   6.244 -13.563  10.627
  670    H1     G  62           H1         G  62   5.377 -12.526   4.370
  671   1H2     G  62          1H2         G  62   3.240 -12.801   3.842
  672   2H2     G  62          2H2         G  62   2.029 -13.239   5.027
  673   1H5*    G  63          1H5*        G  63   4.026 -20.664  10.625
  674   2H5*    G  63          2H5*        G  63   4.829 -19.080  10.604
  675    H4*    G  63           H4*        G  63   2.335 -19.619   8.982
  676    H3*    G  63           H3*        G  63   5.161 -20.398   8.312
  677    H2*    G  63           H2*        G  63   5.052 -19.421   6.186
  678   2HO*    G  63          2HO*        G  63   2.219 -19.282   6.475
  679    H1*    G  63           H1*        G  63   3.524 -17.215   6.774
  680    H8     G  63           H8         G  63   5.836 -17.367   9.662
  681    H1     G  63           H1         G  63   8.905 -15.661   4.311
  682   1H2     G  63          1H2         G  63   7.603 -15.975   2.556
  683   2H2     G  63          2H2         G  63   5.982 -16.617   2.690
  684   1H5*    A  64          1H5*        A  64   6.011 -24.701   7.269
  685   2H5*    A  64          2H5*        A  64   7.047 -23.259   7.267
  686    H4*    A  64           H4*        A  64   7.592 -24.882   5.454
  687    H3*    A  64           H3*        A  64   6.847 -22.045   4.871
  688    H2*    A  64           H2*        A  64   6.595 -22.380   2.572
  689   2HO*    A  64          2HO*        A  64   8.339 -23.374   1.851
  690    H1*    A  64           H1*        A  64   5.550 -24.908   2.534
  691    H8     A  64           H8         A  64   4.081 -22.870   5.402
  692   1H6     A  64          1H6         A  64  -0.164 -20.927   1.367
  693   2H6     A  64          2H6         A  64   0.319 -20.951   3.049
  694    H2     A  64           H2         A  64   2.963 -23.205  -0.919
  695   1H5*    A  65          1H5*        A  65   9.717 -19.285   2.922
  696   2H5*    A  65          2H5*        A  65   8.069 -18.657   3.110
  697    H4*    A  65           H4*        A  65   9.277 -20.255   0.904
  698    H3*    A  65           H3*        A  65   7.549 -17.858   1.162
  699    H2*    A  65           H2*        A  65   5.919 -18.492  -0.364
  700   2HO*    A  65          2HO*        A  65   7.683 -20.431  -1.471
  701    H1*    A  65           H1*        A  65   5.880 -21.203  -0.096
  702    H8     A  65           H8         A  65   6.069 -20.446   3.449
  703   1H6     A  65          1H6         A  65   0.193 -18.554   3.285
  704   2H6     A  65          2H6         A  65   1.521 -19.035   4.318
  705    H2     A  65           H2         A  65   1.692 -18.782  -0.948
  706   1H5*    A  66          1H5*        A  66   8.547 -15.859  -3.621
  707   2H5*    A  66          2H5*        A  66   8.125 -14.609  -2.434
  708    H4*    A  66           H4*        A  66   6.580 -15.461  -4.607
  709    H3*    A  66           H3*        A  66   6.155 -13.648  -2.273
  710    H2*    A  66           H2*        A  66   3.817 -13.846  -2.275
  711   2HO*    A  66          2HO*        A  66   3.291 -13.476  -4.369
  712    H1*    A  66           H1*        A  66   3.533 -16.465  -2.880
  713    H8     A  66           H8         A  66   6.631 -15.939  -0.713
  714   1H6     A  66          1H6         A  66   2.874 -16.612   4.147
  715   2H6     A  66          2H6         A  66   4.544 -16.501   3.628
  716    H2     A  66           H2         A  66   0.324 -16.353   0.438
  717   1H5*    C  67          1H5*        C  67   4.033 -11.708  -4.556
  718   2H5*    C  67          2H5*        C  67   4.033  -9.935  -4.484
  719    H4*    C  67           H4*        C  67   2.135 -11.025  -3.254
  720    H3*    C  67           H3*        C  67   4.084  -9.252  -1.771
  721    H2*    C  67           H2*        C  67   2.931  -9.640   0.234
  722   2HO*    C  67          2HO*        C  67   0.756 -11.024  -0.629
  723    H1*    C  67           H1*        C  67   2.204 -12.289  -0.248
  724   1H4     C  67          1H4         C  67   7.155 -12.432   3.777
  725   2H4     C  67          2H4         C  67   8.265 -12.212   2.441
  726    H5     C  67           H5         C  67   7.540 -11.863   0.167
  727    H6     C  67           H6         C  67   5.596 -11.596  -1.304
  728   1H5*    U  68          1H5*        U  68   0.778  -8.467  -0.184
  729   2H5*    U  68          2H5*        U  68   0.223  -6.788  -0.339
  730    H4*    U  68           H4*        U  68   0.033  -7.366   1.966
  731    H3*    U  68           H3*        U  68   2.473  -5.654   1.430
  732    H2*    U  68           H2*        U  68   3.011  -5.742   3.712
  733   2HO*    U  68          2HO*        U  68   0.616  -6.884   4.567
  734    H1*    U  68           H1*        U  68   2.008  -8.324   4.217
  735    H3     U  68           H3         U  68   6.365  -8.773   5.320
  736    H5     U  68           H5         U  68   6.429  -8.307   1.129
  737    H6     U  68           H6         U  68   4.041  -7.875   1.206
  738   1H5*    U  69          1H5*        U  69   0.581  -4.676   4.532
  739   2H5*    U  69          2H5*        U  69  -0.108  -3.059   4.765
  740    H4*    U  69           H4*        U  69   0.906  -3.495   6.821
  741    H3*    U  69           H3*        U  69   2.900  -1.989   5.107
  742    H2*    U  69           H2*        U  69   4.446  -2.131   6.846
  743   2HO*    U  69          2HO*        U  69   2.265  -2.648   8.605
  744    H1*    U  69           H1*        U  69   3.529  -4.581   7.939
  745    H3     U  69           H3         U  69   7.835  -5.639   7.110
  746    H5     U  69           H5         U  69   6.302  -4.742   3.294
  747    H6     U  69           H6         U  69   4.221  -4.094   4.350
  748   1H5*    G  70          1H5*        G  70   2.535  -0.466   8.896
  749   2H5*    G  70          2H5*        G  70   2.955   1.243   9.123
  750    H4*    G  70           H4*        G  70   4.380  -0.358  10.424
  751    H3*    G  70           H3*        G  70   5.747   1.399   8.357
  752    H2*    G  70           H2*        G  70   7.782   0.480   9.063
  753   2HO*    G  70          2HO*        G  70   7.859   0.735  11.197
  754    H1*    G  70           H1*        G  70   6.713  -2.043   9.841
  755    H8     G  70           H8         G  70   6.142  -0.931   6.212
  756    H1     G  70           H1         G  70  11.690  -3.955   7.260
  757   1H2     G  70          1H2         G  70  11.969  -4.266   9.445
  758   2H2     G  70          2H2         G  70  10.796  -3.726  10.626
  759   1H5*    G  71          1H5*        G  71   7.071   2.919  12.640
  760   2H5*    G  71          2H5*        G  71   7.231   4.670  12.403
  761    H4*    G  71           H4*        G  71   9.201   3.775  13.532
  762    H3*    G  71           H3*        G  71   9.617   4.772  10.707
  763    H2*    G  71           H2*        G  71  11.890   4.163  10.809
  764   2HO*    G  71          2HO*        G  71  12.497   3.316  13.144
  765    H1*    G  71           H1*        G  71  11.600   1.810  12.205
  766    H8     G  71           H8         G  71   8.869   2.278   9.583
  767    H1     G  71           H1         G  71  14.317  -0.135   7.240
  768   1H2     G  71          1H2         G  71  15.899  -0.075   8.801
  769   2H2     G  71          2H2         G  71  15.620   0.574  10.401
  770   1H5*    U  72          1H5*        U  72  12.790   6.931  12.934
  771   2H5*    U  72          2H5*        U  72  12.644   8.616  12.397
  772    H4*    U  72           H4*        U  72  14.936   7.812  12.108
  773    H3*    U  72           H3*        U  72  13.384   8.327   9.563
  774    H2*    U  72           H2*        U  72  15.254   7.677   8.297
  775   2HO*    U  72          2HO*        U  72  16.704   8.227  10.670
  776    H1*    U  72           H1*        U  72  16.172   5.671   9.997
  777    H3     U  72           H3         U  72  15.044   3.403   6.242
  778    H5     U  72           H5         U  72  11.339   4.497   7.932
  779    H6     U  72           H6         U  72  12.550   5.824   9.564
  780   1H5*    U  73          1H5*        U  73  17.243  10.559   9.443
  781   2H5*    U  73          2H5*        U  73  16.972  12.087   8.585
  782    H4*    U  73           H4*        U  73  18.856  10.743   7.656
  783    H3*    U  73           H3*        U  73  16.471  11.319   5.879
  784    H2*    U  73           H2*        U  73  17.564  10.193   4.111
  785   2HO*    U  73          2HO*        U  73  19.916  10.303   5.721
  786    H1*    U  73           H1*        U  73  18.584   8.120   5.608
  787    H3     U  73           H3         U  73  15.344   6.162   3.119
  788    H5     U  73           H5         U  73  13.228   8.287   6.083
  789    H6     U  73           H6         U  73  15.333   9.259   6.793
  790   1H5*    C  74          1H5*        C  74  19.675  12.245   3.571
  791   2H5*    C  74          2H5*        C  74  19.411  13.695   2.585
  792    H4*    C  74           H4*        C  74  19.887  11.743   1.181
  793    H3*    C  74           H3*        C  74  17.051  12.804   0.984
  794    H2*    C  74           H2*        C  74  16.658  11.187  -0.691
  795   2HO*    C  74          2HO*        C  74  19.379  11.467  -1.084
  796    H1*    C  74           H1*        C  74  18.244   9.175   0.424
  797   1H4     C  74          1H4         C  74  12.320   7.429   1.900
  798   2H4     C  74          2H4         C  74  12.216   8.690   3.111
  799    H5     C  74           H5         C  74  13.952  10.323   3.467
  800    H6     C  74           H6         C  74  16.154  11.106   2.735
  801   1H5*    U  75          1H5*        U  75  18.906  13.468  -2.651
  802   2H5*    U  75          2H5*        U  75  18.336  14.703  -3.789
  803    H4*    U  75           H4*        U  75  17.854  12.389  -4.547
  804    H3*    U  75           H3*        U  75  15.477  14.170  -3.944
  805    H2*    U  75           H2*        U  75  14.065  12.429  -4.588
  806   2HO*    U  75          2HO*        U  75  15.055  10.594  -5.827
  807    H1*    U  75           H1*        U  75  15.778  10.299  -3.844
  808    H3     U  75           H3         U  75  11.863   9.465  -1.706
  809    H5     U  75           H5         U  75  13.548  12.700   0.404
  810    H6     U  75           H6         U  75  15.264  12.837  -1.304
  811   1H5*    U  76          1H5*        U  76  15.394  12.935  -7.905
  812   2H5*    U  76          2H5*        U  76  15.166  14.174  -9.154
  813    H4*    U  76           H4*        U  76  13.636  12.457  -9.703
  814    H3*    U  76           H3*        U  76  12.246  14.718  -8.253
  815    H2*    U  76           H2*        U  76  10.211  13.535  -8.327
  816   2HO*    U  76          2HO*        U  76  10.907  12.843 -10.666
  817    H1*    U  76           H1*        U  76  11.212  11.010  -7.876
  818    H3     U  76           H3         U  76   9.032  11.781  -3.994
  819    H5     U  76           H5         U  76  12.342  14.384  -3.821
  820    H6     U  76           H6         U  76  12.890  13.738  -6.095
  821   1H5*    C  77          1H5*        C  77   9.369  15.143 -11.907
  822   2H5*    C  77          2H5*        C  77   8.557  16.543 -11.178
  823    H4*    C  77           H4*        C  77   7.739  13.845 -11.099
  824    H3*    C  77           H3*        C  77   6.797  16.372  -9.747
  825    H2*    C  77           H2*        C  77   5.559  15.160  -8.191
  826   2HO*    C  77          2HO*        C  77   5.328  13.391 -10.318
  827    H1*    C  77           H1*        C  77   7.141  12.827  -8.124
  828   1H4     C  77          1H4         C  77   7.934  15.945  -2.589
  829   2H4     C  77          2H4         C  77   9.361  16.693  -3.269
  830    H5     C  77           H5         C  77  10.011  16.444  -5.566
  831    H6     C  77           H6         C  77   9.422  15.454  -7.725
  832   1H5*    C  78          1H5*        C  78   1.955  17.186 -10.610
  833   2H5*    C  78          2H5*        C  78   2.990  17.763  -9.286
  834    H4*    C  78           H4*        C  78   0.979  15.496  -9.228
  835    H3*    C  78           H3*        C  78   1.091  18.240  -8.038
  836    H2*    C  78           H2*        C  78   0.510  17.540  -5.900
  837   2HO*    C  78          2HO*        C  78  -1.302  16.431  -6.048
  838    H1*    C  78           H1*        C  78   1.591  14.982  -5.885
  839   1H4     C  78          1H4         C  78   5.473  18.812  -2.516
  840   2H4     C  78          2H4         C  78   6.507  18.905  -3.923
  841    H5     C  78           H5         C  78   5.908  17.991  -6.064
  842    H6     C  78           H6         C  78   4.188  16.788  -7.327
  843   1H5*    U  79          1H5*        U  79  -1.656  21.302  -9.003
  844   2H5*    U  79          2H5*        U  79  -0.309  21.658  -7.901
  845    H4*    U  79           H4*        U  79  -2.891  20.196  -7.341
  846    H3*    U  79           H3*        U  79  -1.585  22.694  -6.357
  847    H2*    U  79           H2*        U  79  -1.904  22.236  -4.102
  848   2HO*    U  79          2HO*        U  79  -3.783  21.555  -3.467
  849    H1*    U  79           H1*        U  79  -1.784  19.475  -4.094
  850    H3     U  79           H3         U  79   1.678  21.453  -1.696
  851    H5     U  79           H5         U  79   3.108  20.736  -5.596
  852    H6     U  79           H6         U  79   0.832  20.222  -6.264
  853   1H5*    A  80          1H5*        A  80  -5.159  22.799  -3.079
  854   2H5*    A  80          2H5*        A  80  -5.669  24.338  -3.800
  855    H4*    A  80           H4*        A  80  -4.844  24.218  -1.295
  856    H3*    A  80           H3*        A  80  -5.083  26.344  -3.071
  857    H2*    A  80           H2*        A  80  -2.841  26.521  -3.732
  858   2HO*    A  80          2HO*        A  80  -2.963  27.760  -1.176
  859    H1*    A  80           H1*        A  80  -1.790  25.664  -1.054
  860    H8     A  80           H8         A  80  -1.684  24.731  -4.847
  861   1H6     A  80          1H6         A  80   4.401  24.139  -3.952
  862   2H6     A  80          2H6         A  80   3.106  24.057  -5.126
  863    H2     A  80           H2         A  80   2.525  25.225  -0.016
  864   1H5*    A  81          1H5*        A  81  -7.673  27.464   1.079
  865   2H5*    A  81          2H5*        A  81  -7.459  29.215   1.282
  866    H4*    A  81           H4*        A  81  -7.614  27.987   3.440
  867    H3*    A  81           H3*        A  81  -5.231  29.642   2.729
  868    H2*    A  81           H2*        A  81  -3.889  28.826   4.436
  869   2HO*    A  81          2HO*        A  81  -6.028  29.141   5.849
  870    H1*    A  81           H1*        A  81  -4.915  26.261   4.737
  871    H8     A  81           H8         A  81  -4.405  26.368   1.118
  872   1H6     A  81          1H6         A  81   1.675  25.801   2.046
  873   2H6     A  81          2H6         A  81   0.388  25.726   0.863
  874    H2     A  81           H2         A  81  -0.235  26.813   5.986
  875   1H5*    G  82          1H5*        G  82  -4.262  32.874   6.602
  876   2H5*    G  82          2H5*        G  82  -3.713  32.836   4.914
  877    H4*    G  82           H4*        G  82  -2.588  31.433   7.324
  878    H3*    G  82           H3*        G  82  -1.524  33.211   5.147
  879    H2*    G  82           H2*        G  82   0.464  32.008   4.967
  880   2HO*    G  82          2HO*        G  82  -0.109  31.125   7.606
  881    H1*    G  82           H1*        G  82  -0.465  29.465   5.589
  882    H8     G  82           H8         G  82  -2.899  30.679   3.088
  883    H1     G  82           H1         G  82   2.752  29.323   0.399
  884   1H2     G  82          1H2         G  82   4.298  29.066   1.972
  885   2H2     G  82          2H2         G  82   3.942  29.230   3.677
  886   1H5*    U  83          1H5*        U  83   1.864  33.112   8.022
  887   2H5*    U  83          2H5*        U  83   2.091  34.832   8.399
  888    H4*    U  83           H4*        U  83   4.223  33.804   7.802
  889    H3*    U  83           H3*        U  83   3.086  35.874   5.942
  890    H2*    U  83           H2*        U  83   4.731  35.503   4.322
  891   2HO*    U  83          2HO*        U  83   6.515  33.880   5.358
  892    H1*    U  83           H1*        U  83   5.076  32.784   4.620
  893    H3     U  83           H3         U  83   3.208  33.108   0.514
  894    H5     U  83           H5         U  83   0.020  33.900   3.158
  895    H6     U  83           H6         U  83   1.618  33.878   4.984
  896   1H5*    C  84          1H5*        C  84   7.304  36.547   6.146
  897   2H5*    C  84          2H5*        C  84   7.612  38.271   6.444
  898    H4*    C  84           H4*        C  84   8.876  37.444   4.499
  899    H3*    C  84           H3*        C  84   6.733  39.517   4.043
  900    H2*    C  84           H2*        C  84   7.040  39.433   1.727
  901   2HO*    C  84          2HO*        C  84   9.561  38.227   2.281
  902    H1*    C  84           H1*        C  84   7.669  36.737   1.473
  903   1H4     C  84          1H4         C  84   1.584  37.093  -0.337
  904   2H4     C  84          2H4         C  84   1.073  37.358   1.314
  905    H5     C  84           H5         C  84   2.611  37.583   3.154
  906    H6     C  84           H6         C  84   4.974  37.620   3.805
  907   1H5*    C  85          1H5*        C  85  10.222  40.180   1.992
  908   2H5*    C  85          2H5*        C  85  11.029  41.732   2.290
  909    H4*    C  85           H4*        C  85  11.194  41.351  -0.046
  910    H3*    C  85           H3*        C  85   9.027  43.339   0.639
  911    H2*    C  85           H2*        C  85   8.399  43.502  -1.622
  912   2HO*    C  85          2HO*        C  85  10.283  41.956  -2.825
  913    H1*    C  85           H1*        C  85   8.688  40.858  -2.311
  914   1H4     C  85          1H4         C  85   2.512  41.383  -0.852
  915   2H4     C  85          2H4         C  85   2.893  41.503   0.850
  916    H5     C  85           H5         C  85   5.140  41.558   1.698
  917    H6     C  85           H6         C  85   7.516  41.516   1.105
  918   1H5*    U  86          1H5*        U  86  10.595  44.309  -2.830
  919   2H5*    U  86          2H5*        U  86  11.028  46.021  -3.010
  920    H4*    U  86           H4*        U  86   9.495  45.204  -4.791
  921    H3*    U  86           H3*        U  86   8.646  47.422  -2.956
  922    H2*    U  86           H2*        U  86   6.452  47.268  -3.569
  923   2HO*    U  86          2HO*        U  86   7.640  47.296  -6.039
  924    H1*    U  86           H1*        U  86   6.707  44.760  -5.077
  925    H3     U  86           H3         U  86   2.507  44.268  -3.528
  926    H5     U  86           H5         U  86   4.859  44.411  -0.028
  927    H6     U  86           H6         U  86   6.773  44.941  -1.423
  928    H3T    U  86           H3T        U  86  10.169  47.683  -4.696
  929   1HO1  MN6 101          1HO1      MN6 101   1.676 -43.556  -1.670
  930   2HO1  MN6 101          2HO1      MN6 101   2.521 -44.771  -2.187
  931   1HO2  MN6 101          1HO2      MN6 101   5.056 -41.136  -4.501
  932   2HO2  MN6 101          2HO2      MN6 101   3.603 -40.739  -4.935
  933   1HO3  MN6 101          1HO3      MN6 101   3.223 -43.899  -5.493
  934   2HO3  MN6 101          2HO3      MN6 101   2.637 -44.801  -4.352
  935   1HO4  MN6 101          1HO4      MN6 101   4.233 -41.675  -1.205
  936   2HO4  MN6 101          2HO4      MN6 101   4.435 -40.621  -2.347
  937   1HO5  MN6 101          1HO5      MN6 101   1.620 -41.031  -4.160
  938   2HO5  MN6 101          2HO5      MN6 101   1.228 -41.471  -2.708
  939   1HO6  MN6 101          1HO6      MN6 101   5.080 -44.181  -2.412
  940   2HO6  MN6 101          2HO6      MN6 101   5.816 -43.119  -3.300
  941   1HO1  MN6 102          1HO1      MN6 102   4.227 -27.119  -7.422
  942   2HO1  MN6 102          2HO1      MN6 102   3.463 -28.486  -7.344
  943   1HO2  MN6 102          1HO2      MN6 102   6.529 -28.572 -11.396
  944   2HO2  MN6 102          2HO2      MN6 102   5.634 -29.858 -11.470
  945   1HO3  MN6 102          1HO3      MN6 102   7.163 -29.524  -8.776
  946   2HO3  MN6 102          2HO3      MN6 102   7.410 -28.044  -9.227
  947   1HO4  MN6 102          1HO4      MN6 102   2.692 -28.861 -10.375
  948   2HO4  MN6 102          2HO4      MN6 102   2.705 -27.535  -9.540
  949   1HO5  MN6 102          1HO5      MN6 102   6.091 -26.415 -10.371
  950   2HO5  MN6 102          2HO5      MN6 102   5.904 -26.228  -8.827
  951   1HO6  MN6 102          1HO6      MN6 102   5.349 -30.912  -9.604
  952   2HO6  MN6 102          2HO6      MN6 102   3.820 -30.675  -9.357
  953   1HO1  MN6 103          1HO1      MN6 103  -9.276 -15.018  -2.579
  954   2HO1  MN6 103          2HO1      MN6 103  -7.857 -15.461  -2.083
  955   1HO2  MN6 103          1HO2      MN6 103 -11.018 -18.447   0.506
  956   2HO2  MN6 103          2HO2      MN6 103 -10.786 -17.215   1.447
  957   1HO3  MN6 103          1HO3      MN6 103  -7.197 -16.250  -0.170
  958   2HO3  MN6 103          2HO3      MN6 103  -7.764 -17.172   0.964
  959   1HO4  MN6 103          1HO4      MN6 103 -11.989 -16.371  -1.131
  960   2HO4  MN6 103          2HO4      MN6 103 -11.603 -17.760  -1.747
  961   1HO5  MN6 103          1HO5      MN6 103  -8.165 -18.751  -1.532
  962   2HO5  MN6 103          2HO5      MN6 103  -9.231 -18.453  -2.642
  963   1HO6  MN6 103          1HO6      MN6 103 -10.685 -14.852   0.276
  964   2HO6  MN6 103          2HO6      MN6 103  -9.431 -15.235   1.134
  965   1HO1  MN6 104          1HO1      MN6 104 -11.922  -0.824  -0.258
  966   2HO1  MN6 104          2HO1      MN6 104 -12.637  -1.130   1.103
  967   1HO2  MN6 104          1HO2      MN6 104  -8.867  -4.270   1.247
  968   2HO2  MN6 104          2HO2      MN6 104  -8.848  -3.619   2.672
  969   1HO3  MN6 104          1HO3      MN6 104  -9.983  -0.670   3.166
  970   2HO3  MN6 104          2HO3      MN6 104 -11.357  -1.407   3.338
  971   1HO4  MN6 104          1HO4      MN6 104  -9.147  -3.100  -0.784
  972   2HO4  MN6 104          2HO4      MN6 104  -9.818  -1.735  -1.166
  973   1HO5  MN6 104          1HO5      MN6 104  -8.541  -0.600   0.208
  974   2HO5  MN6 104          2HO5      MN6 104  -8.306  -0.681   1.756
  975   1HO6  MN6 104          1HO6      MN6 104 -11.996  -3.883   0.759
  976   2HO6  MN6 104          2HO6      MN6 104 -11.205  -4.282   2.052
  977   1HO1  MN6 105          1HO1      MN6 105 -10.165  10.959   6.125
  978   2HO1  MN6 105          2HO1      MN6 105 -10.713  11.819   4.935
  979   1HO2  MN6 105          1HO2      MN6 105 -14.561  12.527   7.753
  980   2HO2  MN6 105          2HO2      MN6 105 -13.771  13.783   8.259
  981   1HO3  MN6 105          1HO3      MN6 105 -11.631  14.772   6.788
  982   2HO3  MN6 105          2HO3      MN6 105 -11.466  14.364   8.292
  983   1HO4  MN6 105          1HO4      MN6 105 -12.451  10.034   6.142
  984   2HO4  MN6 105          2HO4      MN6 105 -13.775  10.458   6.868
  985   1HO5  MN6 105          1HO5      MN6 105 -11.056  12.522   9.308
  986   2HO5  MN6 105          2HO5      MN6 105 -10.168  11.575   8.430
  987   1HO6  MN6 105          1HO6      MN6 105 -13.799  12.552   5.215
  988   2HO6  MN6 105          2HO6      MN6 105 -13.271  13.972   5.618
  989   1HO1  MN6 106          1HO1      MN6 106  -1.874  41.679   0.804
  990   2HO1  MN6 106          2HO1      MN6 106  -3.082  41.596  -0.191
  991   1HO2  MN6 106          1HO2      MN6 106   0.959  39.680  -2.506
  992   2HO2  MN6 106          2HO2      MN6 106  -0.296  39.492  -3.425
  993   1HO3  MN6 106          1HO3      MN6 106   0.057  43.219  -1.025
  994   2HO3  MN6 106          2HO3      MN6 106  -0.740  43.309  -2.372
  995   1HO4  MN6 106          1HO4      MN6 106  -1.562  38.665  -0.847
  996   2HO4  MN6 106          2HO4      MN6 106  -2.148  38.958  -2.270
  997   1HO5  MN6 106          1HO5      MN6 106  -2.835  42.336  -2.571
  998   2HO5  MN6 106          2HO5      MN6 106  -2.834  40.923  -3.251
  999   1HO6  MN6 106          1HO6      MN6 106  -0.057  40.284   0.656
 1000   2HO6  MN6 106          2HO6      MN6 106   0.831  41.436   0.070
 1001   1HO1  MN6 107          1HO1      MN6 107  -3.521  32.820  -6.038
 1002   2HO1  MN6 107          2HO1      MN6 107  -3.243  32.802  -7.581
 1003   1HO2  MN6 107          1HO2      MN6 107  -1.946  28.103  -6.441
 1004   2HO2  MN6 107          2HO2      MN6 107  -0.636  28.824  -6.913
 1005   1HO3  MN6 107          1HO3      MN6 107  -4.534  29.983  -5.344
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.967  28.662  -5.970
 1007   1HO4  MN6 107          1HO4      MN6 107  -0.658  31.957  -7.574
 1008   2HO4  MN6 107          2HO4      MN6 107  -0.021  31.026  -6.485
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.750  31.512  -4.310
 1010   2HO5  MN6 107          2HO5      MN6 107  -2.395  30.102  -4.073
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.178  30.731  -9.011
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.393  29.225  -8.629
 1013   1HO1  MN6 108          1HO1      MN6 108   6.879  13.908   1.923
 1014   2HO1  MN6 108          2HO1      MN6 108   7.013  14.051   3.479
 1015   1HO2  MN6 108          1HO2      MN6 108  10.352  17.282   1.412
 1016   2HO2  MN6 108          2HO2      MN6 108  10.402  17.422   2.973
 1017   1HO3  MN6 108          1HO3      MN6 108  10.454  13.927   2.358
 1018   2HO3  MN6 108          2HO3      MN6 108   9.175  13.317   3.028
 1019   1HO4  MN6 108          1HO4      MN6 108   7.406  17.494   1.282
 1020   2HO4  MN6 108          2HO4      MN6 108   8.046  18.073   2.591
 1021   1HO5  MN6 108          1HO5      MN6 108   8.734  15.159   4.912
 1022   2HO5  MN6 108          2HO5      MN6 108   7.791  16.398   4.722
 1023   1HO6  MN6 108          1HO6      MN6 108   9.055  14.214   0.536
 1024   2HO6  MN6 108          2HO6      MN6 108   7.946  15.246   0.132
 1025   1HO1  MN6 109          1HO1      MN6 109   8.430   3.446   0.840
 1026   2HO1  MN6 109          2HO1      MN6 109   7.261   3.158   1.843
 1027   1HO2  MN6 109          1HO2      MN6 109  10.313   2.140   5.372
 1028   2HO2  MN6 109          2HO2      MN6 109  10.909   1.172   4.292
 1029   1HO3  MN6 109          1HO3      MN6 109   9.311   0.395   2.615
 1030   2HO3  MN6 109          2HO3      MN6 109   8.189   0.756   3.648
 1031   1HO4  MN6 109          1HO4      MN6 109  10.938   4.702   3.835
 1032   2HO4  MN6 109          2HO4      MN6 109   9.502   4.945   4.417
 1033   1HO5  MN6 109          1HO5      MN6 109   8.179   2.468   5.311
 1034   2HO5  MN6 109          2HO5      MN6 109   7.132   2.617   4.153
 1035   1HO6  MN6 109          1HO6      MN6 109  10.622   1.603   1.403
 1036   2HO6  MN6 109          2HO6      MN6 109  10.579   3.113   0.981
 1037   1HO1  MN6 110          1HO1      MN6 110   7.591 -11.856  10.500
 1038   2HO1  MN6 110          2HO1      MN6 110   8.338 -13.039  11.205
 1039   1HO2  MN6 110          1HO2      MN6 110  11.293 -12.673   7.461
 1040   2HO2  MN6 110          2HO2      MN6 110  11.513 -11.142   7.716
 1041   1HO3  MN6 110          1HO3      MN6 110  10.319 -14.381   8.657
 1042   2HO3  MN6 110          2HO3      MN6 110   9.240 -14.421   9.794
 1043   1HO4  MN6 110          1HO4      MN6 110  10.655  -9.670   9.503
 1044   2HO4  MN6 110          2HO4      MN6 110  11.414 -10.437  10.640
 1045   1HO5  MN6 110          1HO5      MN6 110  11.984 -13.263  10.450
 1046   2HO5  MN6 110          2HO5      MN6 110  10.709 -13.752  11.219
 1047   1HO6  MN6 110          1HO6      MN6 110   8.857 -11.876   7.320
 1048   2HO6  MN6 110          2HO6      MN6 110   8.788 -10.473   8.013
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   8.576 -45.380  -4.268
    2   2H5*    G   1          2H5*        G   1   9.577 -43.927  -4.466
    3    H4*    G   1           H4*        G   1   9.410 -44.602  -6.657
    4    H3*    G   1           H3*        G   1   7.193 -42.681  -6.075
    5    H2*    G   1           H2*        G   1   5.974 -43.194  -7.995
    6   2HO*    G   1          2HO*        G   1   7.304 -44.657  -9.600
    7    H1*    G   1           H1*        G   1   6.502 -45.875  -8.240
    8    H8     G   1           H8         G   1   5.929 -45.247  -4.582
    9    H1     G   1           H1         G   1   0.475 -45.385  -7.938
   10   1H2     G   1          1H2         G   1   0.923 -45.368 -10.113
   11   2H2     G   1          2H2         G   1   2.557 -45.317 -10.737
   12    H5T    G   1           H5T        G   1   7.808 -43.481  -3.154
   13   1H5*    G   2          1H5*        G   2   7.443 -42.245 -10.052
   14   2H5*    G   2          2H5*        G   2   7.933 -40.578 -10.414
   15    H4*    G   2           H4*        G   2   5.934 -41.157 -11.681
   16    H3*    G   2           H3*        G   2   5.609 -39.111  -9.492
   17    H2*    G   2           H2*        G   2   3.304 -39.049  -9.772
   18   2HO*    G   2          2HO*        G   2   2.965 -40.311 -12.155
   19    H1*    G   2           H1*        G   2   2.920 -41.663 -10.795
   20    H8     G   2           H8         G   2   4.711 -41.442  -7.432
   21    H1     G   2           H1         G   2  -1.677 -41.585  -6.997
   22   1H2     G   2          1H2         G   2  -2.581 -41.371  -9.013
   23   2H2     G   2          2H2         G   2  -1.615 -41.199 -10.462
   24   1H5*    G   3          1H5*        G   3   3.735 -38.093 -12.713
   25   2H5*    G   3          2H5*        G   3   3.978 -36.549 -13.554
   26    H4*    G   3           H4*        G   3   1.626 -36.824 -13.333
   27    H3*    G   3           H3*        G   3   2.781 -34.866 -11.352
   28    H2*    G   3           H2*        G   3   0.726 -34.618 -10.279
   29   2HO*    G   3          2HO*        G   3  -0.461 -35.647 -12.658
   30    H1*    G   3           H1*        G   3  -0.297 -37.189 -10.708
   31    H8     G   3           H8         G   3   3.268 -36.884  -9.275
   32    H1     G   3           H1         G   3  -1.393 -37.114  -4.889
   33   1H2     G   3          1H2         G   3  -3.368 -37.034  -5.889
   34   2H2     G   3          2H2         G   3  -3.543 -36.920  -7.625
   35   1H5*    A   4          1H5*        A   4  -0.933 -33.538 -13.061
   36   2H5*    A   4          2H5*        A   4  -0.750 -31.901 -13.720
   37    H4*    A   4           H4*        A   4  -2.819 -32.018 -12.474
   38    H3*    A   4           H3*        A   4  -0.620 -30.394 -11.206
   39    H2*    A   4           H2*        A   4  -1.876 -30.046  -9.273
   40   2HO*    A   4          2HO*        A   4  -4.016 -30.289 -11.054
   41    H1*    A   4           H1*        A   4  -3.352 -32.427  -9.269
   42    H8     A   4           H8         A   4   0.497 -32.523  -9.657
   43   1H6     A   4          1H6         A   4   0.615 -33.421  -3.547
   44   2H6     A   4          2H6         A   4   1.573 -33.338  -5.008
   45    H2     A   4           H2         A   4  -3.651 -32.665  -4.749
   46   1H5*    U   5          1H5*        U   5  -4.290 -28.551 -10.568
   47   2H5*    U   5          2H5*        U   5  -4.213 -26.789 -10.774
   48    H4*    U   5           H4*        U   5  -5.071 -27.496  -8.540
   49    H3*    U   5           H3*        U   5  -2.609 -25.796  -8.795
   50    H2*    U   5           H2*        U   5  -2.070 -25.989  -6.550
   51   2HO*    U   5          2HO*        U   5  -3.548 -25.859  -5.022
   52    H1*    U   5           H1*        U   5  -3.304 -28.462  -5.975
   53    H3     U   5           H3         U   5   0.881 -29.473  -4.708
   54    H5     U   5           H5         U   5   1.273 -28.719  -8.837
   55    H6     U   5           H6         U   5  -1.060 -28.050  -8.868
   56   1H5*    A   6          1H5*        A   6  -7.044 -23.606  -6.378
   57   2H5*    A   6          2H5*        A   6  -6.067 -22.223  -5.848
   58    H4*    A   6           H4*        A   6  -7.352 -24.395  -4.234
   59    H3*    A   6           H3*        A   6  -7.895 -21.703  -4.446
   60    H2*    A   6           H2*        A   6  -5.950 -20.829  -3.473
   61   2HO*    A   6          2HO*        A   6  -6.267 -20.707  -1.126
   62    H1*    A   6           H1*        A   6  -5.649 -23.048  -1.490
   63    H8     A   6           H8         A   6  -3.709 -21.712  -4.606
   64   1H6     A   6          1H6         A   6   1.025 -21.078  -0.683
   65   2H6     A   6          2H6         A   6   0.506 -20.897  -2.343
   66    H2     A   6           H2         A   6  -2.498 -22.616   1.635
   67   1H5*    U   7          1H5*        U   7  -9.502 -20.625   0.741
   68   2H5*    U   7          2H5*        U   7  -7.990 -20.895  -0.152
   69    H4*    U   7           H4*        U   7  -9.052 -22.276   2.289
   70    H3*    U   7           H3*        U   7  -6.768 -20.649   1.707
   71    H2*    U   7           H2*        U   7  -5.321 -22.332   1.054
   72   2HO*    U   7          2HO*        U   7  -5.659 -23.003   3.803
   73    H1*    U   7           H1*        U   7  -6.827 -24.485   2.496
   74    H3     U   7           H3         U   7  -6.761 -26.889  -1.764
   75    H5     U   7           H5         U   7  -2.963 -25.479  -0.599
   76    H6     U   7           H6         U   7  -4.058 -24.105   1.076
   77   1H5*    G   8          1H5*        G   8  -3.377 -22.101   3.584
   78   2H5*    G   8          2H5*        G   8  -3.673 -21.273   5.125
   79    H4*    G   8           H4*        G   8  -1.651 -20.344   4.485
   80    H3*    G   8           H3*        G   8  -3.876 -18.578   3.482
   81    H2*    G   8           H2*        G   8  -2.409 -17.270   2.241
   82   2HO*    G   8          2HO*        G   8  -1.011 -16.992   4.141
   83    H1*    G   8           H1*        G   8  -0.484 -19.201   1.622
   84    H8     G   8           H8         G   8  -4.241 -19.860   1.021
   85    H1     G   8           H1         G   8  -1.101 -17.486  -4.013
   86   1H2     G   8          1H2         G   8   0.978 -16.977  -3.450
   87   2H2     G   8          2H2         G   8   1.600 -17.224  -1.832
   88   1H5*    G   9          1H5*        G   9  -3.579 -14.125   4.668
   89   2H5*    G   9          2H5*        G   9  -4.595 -14.496   3.259
   90    H4*    G   9           H4*        G   9  -1.641 -13.965   3.404
   91    H3*    G   9           H3*        G   9  -3.965 -12.936   1.806
   92    H2*    G   9           H2*        G   9  -2.725 -12.809  -0.175
   93   2HO*    G   9          2HO*        G   9  -0.211 -13.364   0.676
   94    H1*    G   9           H1*        G   9  -1.146 -15.028   0.116
   95    H8     G   9           H8         G   9  -4.219 -16.577   1.206
   96    H1     G   9           H1         G   9  -4.706 -14.884  -4.951
   97   1H2     G   9          1H2         G   9  -3.067 -13.474  -5.478
   98   2H2     G   9          2H2         G   9  -1.870 -12.949  -4.318
   99   1H5*    A  10          1H5*        A  10  -1.446  -9.648   1.620
  100   2H5*    A  10          2H5*        A  10  -2.182  -8.063   1.928
  101    H4*    A  10           H4*        A  10  -1.410  -8.315  -0.414
  102    H3*    A  10           H3*        A  10  -4.344  -7.913   0.144
  103    H2*    A  10           H2*        A  10  -4.907  -8.232  -2.086
  104   2HO*    A  10          2HO*        A  10  -3.823  -6.984  -3.380
  105    H1*    A  10           H1*        A  10  -2.764  -9.906  -2.846
  106    H8     A  10           H8         A  10  -4.459 -11.488   0.074
  107   1H6     A  10          1H6         A  10  -8.751 -13.593  -3.832
  108   2H6     A  10          2H6         A  10  -8.114 -13.689  -2.209
  109    H2     A  10           H2         A  10  -6.246 -10.577  -6.031
  110   1H5*    A  11          1H5*        A  11  -2.443  -4.922  -2.632
  111   2H5*    A  11          2H5*        A  11  -3.227  -3.330  -2.627
  112    H4*    A  11           H4*        A  11  -2.898  -4.311  -4.912
  113    H3*    A  11           H3*        A  11  -5.648  -3.590  -3.908
  114    H2*    A  11           H2*        A  11  -6.653  -4.430  -5.858
  115   2HO*    A  11          2HO*        A  11  -4.651  -3.404  -7.071
  116    H1*    A  11           H1*        A  11  -5.035  -6.622  -6.250
  117    H8     A  11           H8         A  11  -5.786  -6.286  -2.548
  118   1H6     A  11          1H6         A  11 -11.013  -9.371  -3.691
  119   2H6     A  11          2H6         A  11  -9.953  -8.752  -2.446
  120    H2     A  11           H2         A  11  -9.158  -8.285  -7.637
  121   1H5*    G  12          1H5*        G  12  -5.530  -1.166  -7.506
  122   2H5*    G  12          2H5*        G  12  -6.262   0.412  -7.150
  123    H4*    G  12           H4*        G  12  -7.474  -0.873  -8.910
  124    H3*    G  12           H3*        G  12  -8.897  -0.154  -6.343
  125    H2*    G  12           H2*        G  12 -10.833  -1.268  -7.067
  126   2HO*    G  12          2HO*        G  12  -9.702  -1.131  -9.680
  127    H1*    G  12           H1*        G  12  -9.605  -3.360  -8.412
  128    H8     G  12           H8         G  12  -7.906  -2.815  -5.076
  129    H1     G  12           H1         G  12 -13.395  -6.077  -4.618
  130   1H2     G  12          1H2         G  12 -14.476  -6.016  -6.558
  131   2H2     G  12          2H2         G  12 -13.849  -5.173  -7.956
  132   1H5*    A  13          1H5*        A  13 -11.486   0.437  -8.778
  133   2H5*    A  13          2H5*        A  13 -11.910   2.098  -9.236
  134    H4*    A  13           H4*        A  13 -14.019   1.258  -8.960
  135    H3*    A  13           H3*        A  13 -13.155   2.189  -6.224
  136    H2*    A  13           H2*        A  13 -15.033   1.222  -5.224
  137   2HO*    A  13          2HO*        A  13 -16.734   0.427  -6.922
  138    H1*    A  13           H1*        A  13 -15.331  -0.983  -6.894
  139    H8     A  13           H8         A  13 -11.829  -0.139  -5.478
  140   1H6     A  13          1H6         A  13 -13.194  -4.194  -1.022
  141   2H6     A  13          2H6         A  13 -11.954  -3.159  -1.694
  142    H2     A  13           H2         A  13 -16.847  -3.683  -3.595
  143   1H5*    A  14          1H5*        A  14 -17.373   2.622  -7.083
  144   2H5*    A  14          2H5*        A  14 -17.766   4.348  -6.942
  145    H4*    A  14           H4*        A  14 -19.576   3.146  -5.955
  146    H3*    A  14           H3*        A  14 -17.735   4.408  -3.925
  147    H2*    A  14           H2*        A  14 -18.952   3.456  -2.152
  148   2HO*    A  14          2HO*        A  14 -21.041   2.976  -2.272
  149    H1*    A  14           H1*        A  14 -19.471   1.010  -3.281
  150    H8     A  14           H8         A  14 -15.984   2.601  -3.834
  151   1H6     A  14          1H6         A  14 -14.199  -0.794   1.003
  152   2H6     A  14          2H6         A  14 -13.674   0.288  -0.267
  153    H2     A  14           H2         A  14 -18.641  -1.296   0.523
  154   1H5*    C  15          1H5*        C  15 -21.683   5.427  -2.443
  155   2H5*    C  15          2H5*        C  15 -21.603   7.122  -1.923
  156    H4*    C  15           H4*        C  15 -22.338   5.669  -0.088
  157    H3*    C  15           H3*        C  15 -19.617   6.956   0.223
  158    H2*    C  15           H2*        C  15 -19.334   5.875   2.277
  159   2HO*    C  15          2HO*        C  15 -21.761   4.833   2.793
  160    H1*    C  15           H1*        C  15 -20.829   3.556   1.700
  161   1H4     C  15          1H4         C  15 -14.812   1.523   1.642
  162   2H4     C  15          2H4         C  15 -14.446   2.511   0.245
  163    H5     C  15           H5         C  15 -16.041   3.996  -0.776
  164    H6     C  15           H6         C  15 -18.316   4.899  -0.650
  165   1H5*    C  16          1H5*        C  16 -21.462   7.314   3.447
  166   2H5*    C  16          2H5*        C  16 -21.579   8.824   4.374
  167    H4*    C  16           H4*        C  16 -20.611   7.238   5.848
  168    H3*    C  16           H3*        C  16 -18.514   9.060   4.654
  169    H2*    C  16           H2*        C  16 -16.823   7.861   5.715
  170   2HO*    C  16          2HO*        C  16 -18.299   8.029   7.759
  171    H1*    C  16           H1*        C  16 -18.145   5.355   5.842
  172   1H4     C  16          1H4         C  16 -13.414   4.408   1.722
  173   2H4     C  16          2H4         C  16 -14.069   5.595   0.616
  174    H5     C  16           H5         C  16 -16.045   6.895   1.092
  175    H6     C  16           H6         C  16 -17.799   7.355   2.743
  176   1H5*    G  17          1H5*        G  17 -19.010   9.143   9.515
  177   2H5*    G  17          2H5*        G  17 -18.454  10.783   9.906
  178    H4*    G  17           H4*        G  17 -17.598   9.116  11.507
  179    H3*    G  17           H3*        G  17 -15.607  10.565   9.763
  180    H2*    G  17           H2*        G  17 -13.831   9.323  10.675
  181   2HO*    G  17          2HO*        G  17 -15.646   8.579  12.743
  182    H1*    G  17           H1*        G  17 -15.096   6.890  10.860
  183    H8     G  17           H8         G  17 -16.110   8.535   7.626
  184    H1     G  17           H1         G  17 -10.335   5.801   7.339
  185   1H2     G  17          1H2         G  17  -9.676   5.195   9.376
  186   2H2     G  17          2H2         G  17 -10.653   5.476  10.799
  187   1H5*    G  18          1H5*        G  18 -13.435  10.033  12.839
  188   2H5*    G  18          2H5*        G  18 -13.206  11.568  13.699
  189    H4*    G  18           H4*        G  18 -11.043  10.686  13.570
  190    H3*    G  18           H3*        G  18 -11.462  12.629  11.292
  191    H2*    G  18           H2*        G  18  -9.373  12.096  10.412
  192   2HO*    G  18          2HO*        G  18  -8.505  10.927  12.841
  193    H1*    G  18           H1*        G  18  -9.179   9.453  11.447
  194    H8     G  18           H8         G  18 -12.252   9.971   9.302
  195    H1     G  18           H1         G  18  -6.960   8.768   5.907
  196   1H2     G  18          1H2         G  18  -5.176   8.858   7.224
  197   2H2     G  18          2H2         G  18  -5.288   9.213   8.933
  198   1H5*    G  19          1H5*        G  19  -7.763  12.883  12.419
  199   2H5*    G  19          2H5*        G  19  -7.386  14.406  13.247
  200    H4*    G  19           H4*        G  19  -5.540  14.074  11.846
  201    H3*    G  19           H3*        G  19  -7.518  15.926  10.518
  202    H2*    G  19           H2*        G  19  -6.301  15.918   8.540
  203   2HO*    G  19          2HO*        G  19  -4.340  16.456   9.925
  204    H1*    G  19           H1*        G  19  -5.051  13.382   8.832
  205    H8     G  19           H8         G  19  -8.896  13.849   8.850
  206    H1     G  19           H1         G  19  -6.370  12.288   3.179
  207   1H2     G  19          1H2         G  19  -4.157  12.247   3.318
  208   2H2     G  19          2H2         G  19  -3.302  12.604   4.802
  209   1H5*    G  20          1H5*        G  20  -7.150  20.160   9.776
  210   2H5*    G  20          2H5*        G  20  -8.240  19.166   8.788
  211    H4*    G  20           H4*        G  20  -5.237  19.428   8.625
  212    H3*    G  20           H3*        G  20  -7.543  19.945   6.776
  213    H2*    G  20           H2*        G  20  -6.457  19.001   4.919
  214   2HO*    G  20          2HO*        G  20  -4.454  20.063   5.215
  215    H1*    G  20           H1*        G  20  -5.291  16.861   6.115
  216    H8     G  20           H8         G  20  -8.417  16.857   8.021
  217    H1     G  20           H1         G  20  -9.550  15.492   1.871
  218   1H2     G  20          1H2         G  20  -7.768  15.927   0.656
  219   2H2     G  20          2H2         G  20  -6.296  16.573   1.345
  220   1H5*    A  21          1H5*        A  21  -8.245  24.297   5.605
  221   2H5*    A  21          2H5*        A  21  -8.959  22.739   5.143
  222    H4*    A  21           H4*        A  21  -8.850  24.547   3.338
  223    H3*    A  21           H3*        A  21  -8.004  21.709   3.024
  224    H2*    A  21           H2*        A  21  -6.793  22.034   1.058
  225   2HO*    A  21          2HO*        A  21  -8.593  23.151   0.051
  226    H1*    A  21           H1*        A  21  -5.807  24.561   1.438
  227    H8     A  21           H8         A  21  -5.543  22.677   4.705
  228   1H6     A  21          1H6         A  21  -0.207  20.400   2.610
  229   2H6     A  21          2H6         A  21  -1.257  20.564   4.001
  230    H2     A  21           H2         A  21  -2.234  22.519  -0.799
  231   1H5*    A  22          1H5*        A  22 -10.261  19.532  -0.176
  232   2H5*    A  22          2H5*        A  22  -9.227  18.342   0.640
  233    H4*    A  22           H4*        A  22  -8.628  20.126  -1.594
  234    H3*    A  22           H3*        A  22  -7.449  17.619  -0.411
  235    H2*    A  22           H2*        A  22  -5.316  18.111  -1.224
  236   2HO*    A  22          2HO*        A  22  -5.616  20.202  -2.836
  237    H1*    A  22           H1*        A  22  -5.384  20.879  -1.035
  238    H8     A  22           H8         A  22  -6.549  20.245   2.294
  239   1H6     A  22          1H6         A  22  -1.003  18.024   3.862
  240   2H6     A  22          2H6         A  22  -2.533  18.622   4.461
  241    H2     A  22           H2         A  22  -1.217  18.186  -0.628
  242   1H5*    A  23          1H5*        A  23  -5.994  16.418  -5.290
  243   2H5*    A  23          2H5*        A  23  -6.533  14.840  -4.681
  244    H4*    A  23           H4*        A  23  -4.026  15.244  -5.442
  245    H3*    A  23           H3*        A  23  -5.076  13.558  -3.192
  246    H2*    A  23           H2*        A  23  -2.949  13.223  -2.264
  247   2HO*    A  23          2HO*        A  23  -1.945  14.069  -4.791
  248    H1*    A  23           H1*        A  23  -1.867  15.690  -2.678
  249    H8     A  23           H8         A  23  -5.599  15.613  -1.711
  250   1H6     A  23          1H6         A  23  -3.654  16.274   4.112
  251   2H6     A  23          2H6         A  23  -5.056  16.226   3.060
  252    H2     A  23           H2         A  23  -0.022  15.725   1.488
  253   1H5*    C  24          1H5*        C  24  -2.684  11.005  -4.953
  254   2H5*    C  24          2H5*        C  24  -3.037   9.266  -4.899
  255    H4*    C  24           H4*        C  24  -1.347  10.055  -3.208
  256    H3*    C  24           H3*        C  24  -3.888   8.675  -2.328
  257    H2*    C  24           H2*        C  24  -3.277   8.927  -0.076
  258   2HO*    C  24          2HO*        C  24  -1.177   9.257   0.593
  259    H1*    C  24           H1*        C  24  -2.057  11.410  -0.273
  260   1H4     C  24          1H4         C  24  -7.878  12.505   2.076
  261   2H4     C  24          2H4         C  24  -8.578  12.327   0.483
  262    H5     C  24           H5         C  24  -7.292  11.716  -1.465
  263    H6     C  24           H6         C  24  -5.070  11.102  -2.293
  264   1H5*    U  25          1H5*        U  25  -1.112   7.465  -0.132
  265   2H5*    U  25          2H5*        U  25  -0.816   5.728   0.078
  266    H4*    U  25           H4*        U  25  -1.040   6.785   2.252
  267    H3*    U  25           H3*        U  25  -3.346   5.000   1.449
  268    H2*    U  25           H2*        U  25  -4.458   5.517   3.437
  269   2HO*    U  25          2HO*        U  25  -2.209   6.675   4.662
  270    H1*    U  25           H1*        U  25  -3.429   8.122   3.787
  271    H3     U  25           H3         U  25  -7.921   8.731   3.763
  272    H5     U  25           H5         U  25  -6.960   7.875  -0.252
  273    H6     U  25           H6         U  25  -4.701   7.368   0.464
  274   1H5*    U  26          1H5*        U  26  -2.556   4.574   5.150
  275   2H5*    U  26          2H5*        U  26  -1.918   3.009   5.689
  276    H4*    U  26           H4*        U  26  -3.446   3.431   7.359
  277    H3*    U  26           H3*        U  26  -4.993   1.993   5.189
  278    H2*    U  26           H2*        U  26  -6.952   2.239   6.450
  279   2HO*    U  26          2HO*        U  26  -6.452   3.149   8.780
  280    H1*    U  26           H1*        U  26  -6.349   4.725   7.591
  281    H3     U  26           H3         U  26  -9.946   5.970   5.199
  282    H5     U  26           H5         U  26  -7.283   4.564   2.256
  283    H6     U  26           H6         U  26  -5.765   3.913   4.031
  284   1H5*    G  27          1H5*        G  27  -5.915   0.529   8.865
  285   2H5*    G  27          2H5*        G  27  -6.453  -1.161   8.940
  286    H4*    G  27           H4*        G  27  -8.190   0.451   9.690
  287    H3*    G  27           H3*        G  27  -8.790  -1.181   7.206
  288    H2*    G  27           H2*        G  27 -10.877  -0.141   7.087
  289   2HO*    G  27          2HO*        G  27 -11.931   0.696   8.872
  290    H1*    G  27           H1*        G  27 -10.105   2.303   8.314
  291    H8     G  27           H8         G  27  -8.250   1.074   5.163
  292    H1     G  27           H1         G  27 -13.332   4.797   4.032
  293   1H2     G  27          1H2         G  27 -14.422   5.181   5.931
  294   2H2     G  27          2H2         G  27 -13.894   4.523   7.464
  295   1H5*    G  28          1H5*        G  28 -11.699  -2.684  10.645
  296   2H5*    G  28          2H5*        G  28 -11.955  -4.394  10.244
  297    H4*    G  28           H4*        G  28 -14.086  -3.230  10.625
  298    H3*    G  28           H3*        G  28 -13.538  -4.224   7.822
  299    H2*    G  28           H2*        G  28 -15.600  -3.347   7.095
  300   2HO*    G  28          2HO*        G  28 -17.291  -3.354   8.348
  301    H1*    G  28           H1*        G  28 -15.566  -1.015   8.550
  302    H8     G  28           H8         G  28 -12.151  -1.946   7.094
  303    H1     G  28           H1         G  28 -15.915   1.257   3.026
  304   1H2     G  28          1H2         G  28 -17.939   1.516   3.911
  305   2H2     G  28          2H2         G  28 -18.371   0.875   5.480
  306   1H5*    U  29          1H5*        U  29 -17.520  -5.977   8.556
  307   2H5*    U  29          2H5*        U  29 -17.347  -7.678   8.080
  308    H4*    U  29           H4*        U  29 -19.223  -6.647   6.904
  309    H3*    U  29           H3*        U  29 -16.828  -7.378   5.212
  310    H2*    U  29           H2*        U  29 -17.868  -6.498   3.312
  311   2HO*    U  29          2HO*        U  29 -20.099  -6.265   3.139
  312    H1*    U  29           H1*        U  29 -19.312  -4.444   4.562
  313    H3     U  29           H3         U  29 -16.639  -2.195   1.686
  314    H5     U  29           H5         U  29 -13.990  -3.626   4.639
  315    H6     U  29           H6         U  29 -15.836  -4.883   5.590
  316   1H5*    U  30          1H5*        U  30 -20.699  -8.859   3.395
  317   2H5*    U  30          2H5*        U  30 -20.333 -10.435   2.667
  318    H4*    U  30           H4*        U  30 -21.492  -8.852   1.118
  319    H3*    U  30           H3*        U  30 -18.722  -9.841   0.399
  320    H2*    U  30           H2*        U  30 -18.821  -8.599  -1.600
  321   2HO*    U  30          2HO*        U  30 -20.920  -7.600  -2.195
  322    H1*    U  30           H1*        U  30 -20.146  -6.388  -0.583
  323    H3     U  30           H3         U  30 -16.077  -4.705  -1.588
  324    H5     U  30           H5         U  30 -15.364  -7.125   1.790
  325    H6     U  30           H6         U  30 -17.663  -7.891   1.643
  326   1H5*    C  31          1H5*        C  31 -20.885 -10.102  -3.031
  327   2H5*    C  31          2H5*        C  31 -20.555 -11.603  -3.920
  328    H4*    C  31           H4*        C  31 -20.072  -9.598  -5.276
  329    H3*    C  31           H3*        C  31 -17.740 -11.369  -4.521
  330    H2*    C  31           H2*        C  31 -16.269  -9.917  -5.587
  331   2HO*    C  31          2HO*        C  31 -17.241  -8.315  -7.151
  332    H1*    C  31           H1*        C  31 -17.783  -7.535  -5.273
  333   1H4     C  31          1H4         C  31 -12.672  -6.666  -1.602
  334   2H4     C  31          2H4         C  31 -13.230  -7.885  -0.478
  335    H5     C  31           H5         C  31 -15.214  -9.205  -0.838
  336    H6     C  31           H6         C  31 -17.076  -9.657  -2.363
  337   1H5*    U  32          1H5*        U  32 -17.897 -10.822  -9.139
  338   2H5*    U  32          2H5*        U  32 -17.549 -12.458  -9.734
  339    H4*    U  32           H4*        U  32 -16.197 -10.773 -10.903
  340    H3*    U  32           H3*        U  32 -14.790 -12.791  -9.167
  341    H2*    U  32           H2*        U  32 -12.710 -11.763  -9.497
  342   2HO*    U  32          2HO*        U  32 -12.889  -9.879 -11.223
  343    H1*    U  32           H1*        U  32 -13.513  -9.135  -9.487
  344    H3     U  32           H3         U  32 -11.309  -9.349  -5.562
  345    H5     U  32           H5         U  32 -14.748 -11.683  -4.889
  346    H6     U  32           H6         U  32 -15.316 -11.401  -7.231
  347   1H5*    U  33          1H5*        U  33 -12.904 -11.984 -12.723
  348   2H5*    U  33          2H5*        U  33 -12.077 -13.308 -13.570
  349    H4*    U  33           H4*        U  33 -10.616 -11.331 -13.094
  350    H3*    U  33           H3*        U  33  -9.923 -14.051 -11.994
  351    H2*    U  33           H2*        U  33  -8.149 -13.191 -10.769
  352   2HO*    U  33          2HO*        U  33  -7.763 -11.816 -13.001
  353    H1*    U  33           H1*        U  33  -9.095 -10.531 -10.457
  354    H3     U  33           H3         U  33  -8.322 -11.629  -6.151
  355    H5     U  33           H5         U  33 -11.471 -14.195  -7.289
  356    H6     U  33           H6         U  33 -11.233 -13.375  -9.560
  357   1H5*    C  34          1H5*        C  34  -4.908 -14.640 -13.902
  358   2H5*    C  34          2H5*        C  34  -5.806 -15.134 -12.453
  359    H4*    C  34           H4*        C  34  -4.117 -12.627 -12.743
  360    H3*    C  34           H3*        C  34  -3.544 -15.322 -11.562
  361    H2*    C  34           H2*        C  34  -2.751 -14.459  -9.552
  362   2HO*    C  34          2HO*        C  34  -1.210 -13.069 -10.312
  363    H1*    C  34           H1*        C  34  -4.290 -12.157  -9.353
  364   1H4     C  34          1H4         C  34  -6.853 -16.456  -5.376
  365   2H4     C  34          2H4         C  34  -7.947 -16.939  -6.653
  366    H5     C  34           H5         C  34  -7.786 -16.118  -8.909
  367    H6     C  34           H6         C  34  -6.546 -14.653 -10.432
  368   1H5*    C  35          1H5*        C  35   1.622 -15.957 -12.029
  369   2H5*    C  35          2H5*        C  35   0.554 -16.861 -10.936
  370    H4*    C  35           H4*        C  35   2.591 -14.745 -10.312
  371    H3*    C  35           H3*        C  35   2.061 -17.547  -9.491
  372    H2*    C  35           H2*        C  35   2.141 -17.201  -7.201
  373   2HO*    C  35          2HO*        C  35   3.479 -15.765  -6.262
  374    H1*    C  35           H1*        C  35   1.257 -14.605  -6.972
  375   1H4     C  35          1H4         C  35  -3.716 -18.427  -5.659
  376   2H4     C  35          2H4         C  35  -4.302 -18.119  -7.276
  377    H5     C  35           H5         C  35  -3.039 -16.925  -8.933
  378    H6     C  35           H6         C  35  -0.936 -15.762  -9.407
  379   1H5*    U  36          1H5*        U  36   5.648 -20.461  -9.347
  380   2H5*    U  36          2H5*        U  36   4.061 -21.095  -8.867
  381    H4*    U  36           H4*        U  36   6.186 -19.784  -7.195
  382    H3*    U  36           H3*        U  36   4.660 -22.347  -7.150
  383    H2*    U  36           H2*        U  36   4.127 -22.262  -4.890
  384   2HO*    U  36          2HO*        U  36   5.920 -20.221  -4.223
  385    H1*    U  36           H1*        U  36   3.929 -19.545  -4.478
  386    H3     U  36           H3         U  36  -0.202 -21.443  -3.859
  387    H5     U  36           H5         U  36   0.106 -20.704  -7.998
  388    H6     U  36           H6         U  36   2.445 -20.158  -7.658
  389   1H5*    A  37          1H5*        A  37   8.044 -24.607  -3.638
  390   2H5*    A  37          2H5*        A  37   7.142 -25.793  -4.602
  391    H4*    A  37           H4*        A  37   6.676 -24.848  -1.877
  392    H3*    A  37           H3*        A  37   6.647 -27.315  -3.096
  393    H2*    A  37           H2*        A  37   4.626 -27.173  -4.268
  394   2HO*    A  37          2HO*        A  37   2.860 -27.589  -2.475
  395    H1*    A  37           H1*        A  37   3.224 -25.515  -2.220
  396    H8     A  37           H8         A  37   4.603 -24.817  -5.799
  397   1H6     A  37          1H6         A  37  -1.314 -23.893  -7.307
  398   2H6     A  37          2H6         A  37   0.337 -23.869  -7.883
  399    H2     A  37           H2         A  37  -1.167 -25.135  -2.991
  400   1H5*    A  38          1H5*        A  38   7.900 -28.684   2.373
  401   2H5*    A  38          2H5*        A  38   6.699 -29.627   1.468
  402    H4*    A  38           H4*        A  38   6.487 -28.627   4.100
  403    H3*    A  38           H3*        A  38   4.684 -30.099   2.212
  404    H2*    A  38           H2*        A  38   2.729 -29.417   3.276
  405   2HO*    A  38          2HO*        A  38   2.691 -29.619   5.358
  406    H1*    A  38           H1*        A  38   3.504 -26.917   4.191
  407    H8     A  38           H8         A  38   4.639 -26.866   0.681
  408   1H6     A  38          1H6         A  38  -1.216 -25.939  -1.048
  409   2H6     A  38          2H6         A  38   0.456 -25.917  -1.560
  410    H2     A  38           H2         A  38  -1.231 -27.164   3.278
  411   1H5*    G  39          1H5*        G  39   2.556 -32.998   5.408
  412   2H5*    G  39          2H5*        G  39   2.016 -33.705   3.872
  413    H4*    G  39           H4*        G  39   0.629 -31.894   5.600
  414    H3*    G  39           H3*        G  39   0.001 -33.417   3.096
  415    H2*    G  39           H2*        G  39  -1.649 -31.930   2.394
  416   2HO*    G  39          2HO*        G  39  -1.863 -30.416   4.701
  417    H1*    G  39           H1*        G  39  -0.615 -29.552   3.323
  418    H8     G  39           H8         G  39   2.365 -31.151   1.846
  419    H1     G  39           H1         G  39  -1.717 -29.174  -2.674
  420   1H2     G  39          1H2         G  39  -3.680 -28.685  -1.762
  421   2H2     G  39          2H2         G  39  -3.986 -28.844  -0.048
  422   1H5*    U  40          1H5*        U  40  -4.061 -33.617   4.765
  423   2H5*    U  40          2H5*        U  40  -4.446 -35.348   4.705
  424    H4*    U  40           H4*        U  40  -6.059 -33.949   3.436
  425    H3*    U  40           H3*        U  40  -4.440 -36.059   2.035
  426    H2*    U  40           H2*        U  40  -5.195 -35.405  -0.079
  427   2HO*    U  40          2HO*        U  40  -7.081 -33.950  -0.224
  428    H1*    U  40           H1*        U  40  -5.408 -32.679   0.326
  429    H3     U  40           H3         U  40  -2.093 -33.219  -2.759
  430    H5     U  40           H5         U  40  -0.272 -34.058   0.951
  431    H6     U  40           H6         U  40  -2.468 -33.950   1.980
  432   1H5*    C  41          1H5*        C  41  -8.048 -36.346   0.711
  433   2H5*    C  41          2H5*        C  41  -8.986 -37.852   0.747
  434    H4*    C  41           H4*        C  41  -9.036 -37.105  -1.507
  435    H3*    C  41           H3*        C  41  -7.057 -39.344  -1.081
  436    H2*    C  41           H2*        C  41  -6.293 -39.171  -3.272
  437   2HO*    C  41          2HO*        C  41  -7.611 -38.828  -4.903
  438    H1*    C  41           H1*        C  41  -6.796 -36.426  -3.680
  439   1H4     C  41          1H4         C  41  -0.463 -36.853  -3.365
  440   2H4     C  41          2H4         C  41  -0.537 -37.233  -1.660
  441    H5     C  41           H5         C  41  -2.606 -37.520  -0.458
  442    H6     C  41           H6         C  41  -5.052 -37.519  -0.637
  443   1H5*    C  42          1H5*        C  42  -9.441 -39.739  -4.639
  444   2H5*    C  42          2H5*        C  42 -10.388 -41.236  -4.529
  445    H4*    C  42           H4*        C  42  -9.734 -41.138  -6.783
  446    H3*    C  42           H3*        C  42  -7.902 -42.950  -5.216
  447    H2*    C  42           H2*        C  42  -6.516 -43.270  -7.088
  448   2HO*    C  42          2HO*        C  42  -8.829 -42.559  -8.486
  449    H1*    C  42           H1*        C  42  -6.571 -40.718  -8.085
  450   1H4     C  42          1H4         C  42  -1.350 -40.757  -4.449
  451   2H4     C  42          2H4         C  42  -2.322 -40.724  -2.996
  452    H5     C  42           H5         C  42  -4.724 -40.832  -3.014
  453    H6     C  42           H6         C  42  -6.720 -40.987  -4.429
  454   1H5*    U  43          1H5*        U  43  -8.047 -44.342  -8.822
  455   2H5*    U  43          2H5*        U  43  -8.374 -46.081  -8.957
  456    H4*    U  43           H4*        U  43  -6.279 -45.435 -10.096
  457    H3*    U  43           H3*        U  43  -6.103 -47.265  -7.711
  458    H2*    U  43           H2*        U  43  -3.813 -47.127  -7.673
  459   2HO*    U  43          2HO*        U  43  -2.742 -46.638  -9.854
  460    H1*    U  43           H1*        U  43  -3.594 -44.777  -9.382
  461    H3     U  43           H3         U  43  -0.309 -44.021  -6.382
  462    H5     U  43           H5         U  43  -3.855 -43.777  -4.106
  463    H6     U  43           H6         U  43  -5.074 -44.534  -6.062
  464    H3T    U  43           H3T        U  43  -6.353 -48.680  -9.240
  465   1H5*    G  44          1H5*        G  44  -8.317  45.155  -4.690
  466   2H5*    G  44          2H5*        G  44  -8.899  43.502  -4.970
  467    H4*    G  44           H4*        G  44  -7.988  44.064  -7.034
  468    H3*    G  44           H3*        G  44  -6.025  42.510  -5.393
  469    H2*    G  44           H2*        G  44  -4.206  42.973  -6.789
  470   2HO*    G  44          2HO*        G  44  -4.835  44.107  -8.928
  471    H1*    G  44           H1*        G  44  -4.755  45.552  -7.479
  472    H8     G  44           H8         G  44  -5.764  45.327  -3.882
  473    H1     G  44           H1         G  44   0.596  45.510  -4.610
  474   1H2     G  44          1H2         G  44   1.122  45.241  -6.749
  475   2H2     G  44          2H2         G  44  -0.085  45.012  -7.994
  476    H5T    G  44           H5T        G  44  -7.665  42.930  -3.405
  477   1H5*    G  45          1H5*        G  45  -4.870  41.675  -8.939
  478   2H5*    G  45          2H5*        G  45  -4.937  39.954  -9.368
  479    H4*    G  45           H4*        G  45  -2.717  40.868  -9.828
  480    H3*    G  45           H3*        G  45  -2.933  38.843  -7.601
  481    H2*    G  45           H2*        G  45  -0.700  39.128  -7.026
  482   2HO*    G  45          2HO*        G  45  -0.450  39.535  -9.755
  483    H1*    G  45           H1*        G  45  -0.363  41.792  -7.946
  484    H8     G  45           H8         G  45  -3.179  41.560  -5.457
  485    H1     G  45           H1         G  45   2.595  41.766  -2.703
  486   1H2     G  45          1H2         G  45   4.178  41.489  -4.231
  487   2H2     G  45          2H2         G  45   3.815  41.253  -5.926
  488   1H5*    G  46          1H5*        G  46   0.135  37.946 -10.320
  489   2H5*    G  46          2H5*        G  46   0.287  36.257 -10.843
  490    H4*    G  46           H4*        G  46   2.447  37.134 -10.100
  491    H3*    G  46           H3*        G  46   1.178  34.972  -8.421
  492    H2*    G  46           H2*        G  46   2.892  35.101  -6.844
  493   2HO*    G  46          2HO*        G  46   4.556  36.629  -8.541
  494    H1*    G  46           H1*        G  46   3.484  37.830  -7.087
  495    H8     G  46           H8         G  46  -0.228  37.020  -6.647
  496    H1     G  46           H1         G  46   3.030  37.527  -1.157
  497   1H2     G  46          1H2         G  46   5.207  37.698  -1.587
  498   2H2     G  46          2H2         G  46   5.847  37.680  -3.214
  499   1H5*    A  47          1H5*        A  47   5.100  34.105  -9.023
  500   2H5*    A  47          2H5*        A  47   5.468  32.520  -9.728
  501    H4*    A  47           H4*        A  47   6.920  32.825  -7.847
  502    H3*    A  47           H3*        A  47   4.669  30.877  -7.384
  503    H2*    A  47           H2*        A  47   5.212  30.638  -5.129
  504   2HO*    A  47          2HO*        A  47   7.747  31.850  -5.487
  505    H1*    A  47           H1*        A  47   6.221  33.198  -4.637
  506    H8     A  47           H8         A  47   2.819  32.933  -6.422
  507   1H6     A  47          1H6         A  47   0.333  33.310  -0.781
  508   2H6     A  47          2H6         A  47   0.004  33.270  -2.498
  509    H2     A  47           H2         A  47   4.796  33.009  -0.308
  510   1H5*    U  48          1H5*        U  48   7.971  29.100  -5.605
  511   2H5*    U  48          2H5*        U  48   8.016  27.354  -5.925
  512    H4*    U  48           H4*        U  48   7.905  27.931  -3.495
  513    H3*    U  48           H3*        U  48   5.756  26.268  -4.789
  514    H2*    U  48           H2*        U  48   4.431  26.294  -2.882
  515   2HO*    U  48          2HO*        U  48   6.069  27.214  -0.955
  516    H1*    U  48           H1*        U  48   5.278  28.746  -1.777
  517    H3     U  48           H3         U  48   0.845  29.473  -2.143
  518    H5     U  48           H5         U  48   2.151  29.241  -6.144
  519    H6     U  48           H6         U  48   4.350  28.623  -5.321
  520   1H5*    A  49          1H5*        A  49   9.418  23.968  -0.726
  521   2H5*    A  49          2H5*        A  49   8.110  22.785  -0.934
  522    H4*    A  49           H4*        A  49   8.626  24.629   1.409
  523    H3*    A  49           H3*        A  49   9.373  21.986   1.061
  524    H2*    A  49           H2*        A  49   7.275  20.965   1.050
  525   2HO*    A  49          2HO*        A  49   7.495  19.994   2.894
  526    H1*    A  49           H1*        A  49   6.011  22.915   2.925
  527    H8     A  49           H8         A  49   5.603  22.286  -0.893
  528   1H6     A  49          1H6         A  49  -0.104  20.425   0.580
  529   2H6     A  49          2H6         A  49   1.012  20.735  -0.731
  530    H2     A  49           H2         A  49   2.069  21.370   4.391
  531   1H5*    U  50          1H5*        U  50   9.655  21.664   6.770
  532   2H5*    U  50          2H5*        U  50   9.018  20.074   6.307
  533    H4*    U  50           H4*        U  50   7.926  21.218   8.313
  534    H3*    U  50           H3*        U  50   6.741  19.580   6.357
  535    H2*    U  50           H2*        U  50   5.472  21.208   5.268
  536   2HO*    U  50          2HO*        U  50   3.628  21.639   7.127
  537    H1*    U  50           H1*        U  50   5.154  22.860   7.759
  538    H3     U  50           H3         U  50   6.442  26.695   5.026
  539    H5     U  50           H5         U  50   3.385  24.381   3.277
  540    H6     U  50           H6         U  50   3.861  22.642   4.901
  541   1H5*    G  51          1H5*        G  51   4.605  17.237   5.966
  542   2H5*    G  51          2H5*        G  51   4.457  19.002   5.928
  543    H4*    G  51           H4*        G  51   1.954  18.213   6.791
  544    H3*    G  51           H3*        G  51   3.054  15.975   5.187
  545    H2*    G  51           H2*        G  51   1.597  16.120   3.401
  546   2HO*    G  51          2HO*        G  51  -0.442  16.145   3.863
  547    H1*    G  51           H1*        G  51   0.909  18.784   3.378
  548    H8     G  51           H8         G  51   4.583  18.879   3.759
  549    H1     G  51           H1         G  51   2.886  17.188  -2.167
  550   1H2     G  51          1H2         G  51   0.741  16.664  -2.229
  551   2H2     G  51          2H2         G  51  -0.282  16.727  -0.814
  552   1H5*    G  52          1H5*        G  52   1.797  11.894   5.552
  553   2H5*    G  52          2H5*        G  52   3.168  12.276   4.492
  554    H4*    G  52           H4*        G  52   0.299  11.850   3.840
  555    H3*    G  52           H3*        G  52   2.954  11.186   2.620
  556    H2*    G  52           H2*        G  52   2.227  11.528   0.420
  557   2HO*    G  52          2HO*        G  52   0.163  11.295  -0.217
  558    H1*    G  52           H1*        G  52   0.616  13.684   0.764
  559    H8     G  52           H8         G  52   3.228  14.665   3.112
  560    H1     G  52           H1         G  52   5.475  14.767  -2.882
  561   1H2     G  52          1H2         G  52   4.080  13.674  -4.234
  562   2H2     G  52          2H2         G  52   2.604  12.930  -3.661
  563   1H5*    A  53          1H5*        A  53   0.612   8.309   1.040
  564   2H5*    A  53          2H5*        A  53   1.066   6.599   1.191
  565    H4*    A  53           H4*        A  53   1.018   7.205  -1.152
  566    H3*    A  53           H3*        A  53   3.764   6.730   0.009
  567    H2*    A  53           H2*        A  53   4.780   7.317  -2.021
  568   2HO*    A  53          2HO*        A  53   2.472   7.464  -3.557
  569    H1*    A  53           H1*        A  53   3.008   9.294  -2.817
  570    H8     A  53           H8         A  53   3.720   9.967   0.787
  571   1H6     A  53          1H6         A  53   9.014  12.596  -0.999
  572   2H6     A  53          2H6         A  53   7.902  12.362   0.331
  573    H2     A  53           H2         A  53   7.297  10.407  -4.531
  574   1H5*    A  54          1H5*        A  54   3.261   4.115  -3.463
  575   2H5*    A  54          2H5*        A  54   4.203   2.615  -3.348
  576    H4*    A  54           H4*        A  54   4.750   4.117  -5.318
  577    H3*    A  54           H3*        A  54   6.870   3.237  -3.352
  578    H2*    A  54           H2*        A  54   8.491   4.475  -4.530
  579   2HO*    A  54          2HO*        A  54   7.980   3.768  -6.615
  580    H1*    A  54           H1*        A  54   6.922   6.651  -5.169
  581    H8     A  54           H8         A  54   6.190   5.702  -1.589
  582   1H6     A  54          1H6         A  54  11.226   8.938  -0.026
  583   2H6     A  54          2H6         A  54   9.802   8.116   0.573
  584    H2     A  54           H2         A  54  11.181   8.514  -4.499
  585   1H5*    G  55          1H5*        G  55   8.511   1.419  -7.050
  586   2H5*    G  55          2H5*        G  55   9.061  -0.207  -6.599
  587    H4*    G  55           H4*        G  55  10.900   1.142  -7.520
  588    H3*    G  55           H3*        G  55  11.080   0.364  -4.604
  589    H2*    G  55           H2*        G  55  13.102   1.542  -4.388
  590   2HO*    G  55          2HO*        G  55  13.355   0.843  -7.024
  591    H1*    G  55           H1*        G  55  12.522   3.641  -6.106
  592    H8     G  55           H8         G  55   9.643   2.824  -3.743
  593    H1     G  55           H1         G  55  14.165   6.527  -1.141
  594   1H2     G  55          1H2         G  55  15.919   6.648  -2.492
  595   2H2     G  55          2H2         G  55  15.977   5.819  -4.032
  596   1H5*    A  56          1H5*        A  56  14.709  -0.610  -6.336
  597   2H5*    A  56          2H5*        A  56  15.321  -2.218  -5.896
  598    H4*    A  56           H4*        A  56  16.998  -0.505  -5.424
  599    H3*    A  56           H3*        A  56  15.756  -1.853  -3.020
  600    H2*    A  56           H2*        A  56  17.017  -0.507  -1.588
  601   2HO*    A  56          2HO*        A  56  18.770   0.772  -3.097
  602    H1*    A  56           H1*        A  56  17.137   1.788  -3.202
  603    H8     A  56           H8         A  56  13.642   0.315  -2.671
  604   1H6     A  56          1H6         A  56  13.352   3.832   2.393
  605   2H6     A  56          2H6         A  56  12.468   2.758   1.337
  606    H2     A  56           H2         A  56  17.527   4.120   0.750
  607   1H5*    A  57          1H5*        A  57  19.912  -2.303  -2.741
  608   2H5*    A  57          2H5*        A  57  20.492  -3.934  -2.349
  609    H4*    A  57           H4*        A  57  21.507  -2.458  -0.778
  610    H3*    A  57           H3*        A  57  19.173  -3.962   0.426
  611    H2*    A  57           H2*        A  57  19.526  -2.856   2.472
  612   2HO*    A  57          2HO*        A  57  21.515  -1.594   2.767
  613    H1*    A  57           H1*        A  57  20.255  -0.386   1.435
  614    H8     A  57           H8         A  57  17.227  -2.154  -0.167
  615   1H6     A  57          1H6         A  57  13.788   1.038   3.840
  616   2H6     A  57          2H6         A  57  13.769  -0.028   2.455
  617    H2     A  57           H2         A  57  18.114   1.758   4.857
  618   1H5*    C  58          1H5*        C  58  21.857  -4.472   3.229
  619   2H5*    C  58          2H5*        C  58  22.107  -6.159   3.715
  620    H4*    C  58           H4*        C  58  21.515  -4.984   5.692
  621    H3*    C  58           H3*        C  58  19.128  -6.494   4.592
  622    H2*    C  58           H2*        C  58  17.833  -5.660   6.348
  623   2HO*    C  58          2HO*        C  58  20.280  -5.191   7.730
  624    H1*    C  58           H1*        C  58  19.268  -3.238   6.721
  625   1H4     C  58          1H4         C  58  13.632  -1.368   4.464
  626   2H4     C  58          2H4         C  58  13.983  -2.074   2.901
  627    H5     C  58           H5         C  58  15.987  -3.329   2.439
  628    H6     C  58           H6         C  58  18.076  -4.202   3.380
  629   1H5*    C  59          1H5*        C  59  19.698  -6.900   8.696
  630   2H5*    C  59          2H5*        C  59  19.174  -8.448   9.389
  631    H4*    C  59           H4*        C  59  18.070  -6.450  10.415
  632    H3*    C  59           H3*        C  59  16.366  -8.511   8.996
  633    H2*    C  59           H2*        C  59  14.460  -7.260   9.483
  634   2HO*    C  59          2HO*        C  59  15.886  -5.825  11.483
  635    H1*    C  59           H1*        C  59  15.713  -4.713   9.542
  636   1H4     C  59          1H4         C  59  11.977  -4.575   4.406
  637   2H4     C  59          2H4         C  59  12.961  -5.780   3.604
  638    H5     C  59           H5         C  59  14.869  -6.834   4.646
  639    H6     C  59           H6         C  59  16.188  -7.016   6.704
  640   1H5*    G  60          1H5*        G  60  15.535  -8.070  13.691
  641   2H5*    G  60          2H5*        G  60  15.108  -9.726  14.165
  642    H4*    G  60           H4*        G  60  13.626  -8.109  15.244
  643    H3*    G  60           H3*        G  60  12.380  -9.915  13.168
  644    H2*    G  60           H2*        G  60  10.300  -8.852  13.447
  645   2HO*    G  60          2HO*        G  60  11.327  -7.617  15.801
  646    H1*    G  60           H1*        G  60  11.211  -6.271  13.776
  647    H8     G  60           H8         G  60  13.165  -8.004  11.040
  648    H1     G  60           H1         G  60   7.513  -5.743   9.067
  649   1H2     G  60          1H2         G  60   6.303  -5.090  10.815
  650   2H2     G  60          2H2         G  60   6.888  -5.213  12.459
  651   1H5*    G  61          1H5*        G  61   9.386  -9.441  15.503
  652   2H5*    G  61          2H5*        G  61   9.085 -10.933  16.414
  653    H4*    G  61           H4*        G  61   6.960 -10.377  15.644
  654    H3*    G  61           H3*        G  61   8.205 -12.288  13.661
  655    H2*    G  61           H2*        G  61   6.383 -12.041  12.232
  656   2HO*    G  61          2HO*        G  61   4.331 -11.238  13.078
  657    H1*    G  61           H1*        G  61   5.617  -9.422  13.028
  658    H8     G  61           H8         G  61   9.207  -9.773  11.803
  659    H1     G  61           H1         G  61   4.944  -8.919   7.105
  660   1H2     G  61          1H2         G  61   2.882  -9.037   7.921
  661   2H2     G  61          2H2         G  61   2.558  -9.334   9.615
  662   1H5*    G  62          1H5*        G  62   4.264 -12.961  13.923
  663   2H5*    G  62          2H5*        G  62   3.909 -14.569  14.587
  664    H4*    G  62           H4*        G  62   2.412 -14.299  12.778
  665    H3*    G  62           H3*        G  62   4.785 -15.996  12.012
  666    H2*    G  62           H2*        G  62   4.108 -16.061   9.790
  667   2HO*    G  62          2HO*        G  62   2.131 -16.804   9.676
  668    H1*    G  62           H1*        G  62   2.647 -13.624   9.727
  669    H8     G  62           H8         G  62   6.361 -13.672  10.761
  670    H1     G  62           H1         G  62   5.337 -12.663   4.524
  671   1H2     G  62          1H2         G  62   3.180 -12.887   4.060
  672   2H2     G  62          2H2         G  62   1.993 -13.282   5.282
  673   1H5*    G  63          1H5*        G  63   3.625 -20.256  10.645
  674   2H5*    G  63          2H5*        G  63   5.224 -19.761  10.054
  675    H4*    G  63           H4*        G  63   2.522 -19.398   8.823
  676    H3*    G  63           H3*        G  63   5.237 -20.299   7.929
  677    H2*    G  63           H2*        G  63   5.107 -19.216   5.860
  678   2HO*    G  63          2HO*        G  63   2.488 -18.376   5.935
  679    H1*    G  63           H1*        G  63   3.808 -16.930   6.587
  680    H8     G  63           H8         G  63   6.015 -17.249   9.489
  681    H1     G  63           H1         G  63   9.404 -15.970   4.212
  682   1H2     G  63          1H2         G  63   8.153 -16.260   2.418
  683   2H2     G  63          2H2         G  63   6.487 -16.782   2.509
  684   1H5*    A  64          1H5*        A  64   5.804 -24.598   7.266
  685   2H5*    A  64          2H5*        A  64   6.874 -23.184   7.262
  686    H4*    A  64           H4*        A  64   7.503 -24.928   5.588
  687    H3*    A  64           H3*        A  64   6.888 -22.110   4.791
  688    H2*    A  64           H2*        A  64   6.858 -22.580   2.494
  689   2HO*    A  64          2HO*        A  64   7.765 -25.196   2.623
  690    H1*    A  64           H1*        A  64   5.668 -25.030   2.516
  691    H8     A  64           H8         A  64   4.144 -22.770   5.180
  692   1H6     A  64          1H6         A  64   0.310 -20.759   0.792
  693   2H6     A  64          2H6         A  64   0.683 -20.735   2.501
  694    H2     A  64           H2         A  64   3.408 -23.349  -1.177
  695   1H5*    A  65          1H5*        A  65  10.383 -19.637   2.323
  696   2H5*    A  65          2H5*        A  65   8.764 -19.588   3.053
  697    H4*    A  65           H4*        A  65   9.530 -20.733   0.347
  698    H3*    A  65           H3*        A  65   8.103 -18.236   1.215
  699    H2*    A  65           H2*        A  65   6.375 -18.514  -0.336
  700   2HO*    A  65          2HO*        A  65   8.355 -19.849  -1.749
  701    H1*    A  65           H1*        A  65   6.137 -21.247  -0.299
  702    H8     A  65           H8         A  65   6.494 -20.578   3.295
  703   1H6     A  65          1H6         A  65   0.679 -18.502   3.355
  704   2H6     A  65          2H6         A  65   2.027 -19.031   4.337
  705    H2     A  65           H2         A  65   2.002 -18.789  -0.930
  706   1H5*    A  66          1H5*        A  66   8.810 -16.056  -3.718
  707   2H5*    A  66          2H5*        A  66   8.458 -14.832  -2.482
  708    H4*    A  66           H4*        A  66   6.798 -15.656  -4.602
  709    H3*    A  66           H3*        A  66   6.516 -13.818  -2.253
  710    H2*    A  66           H2*        A  66   4.170 -13.904  -2.255
  711   2HO*    A  66          2HO*        A  66   4.325 -15.066  -4.856
  712    H1*    A  66           H1*        A  66   3.790 -16.525  -2.840
  713    H8     A  66           H8         A  66   6.873 -16.015  -0.637
  714   1H6     A  66          1H6         A  66   3.049 -16.543   4.181
  715   2H6     A  66          2H6         A  66   4.726 -16.461   3.678
  716    H2     A  66           H2         A  66   0.546 -16.356   0.437
  717   1H5*    C  67          1H5*        C  67   4.217 -12.097  -4.332
  718   2H5*    C  67          2H5*        C  67   4.177 -10.325  -4.441
  719    H4*    C  67           H4*        C  67   2.292 -11.226  -3.117
  720    H3*    C  67           H3*        C  67   4.328  -9.508  -1.680
  721    H2*    C  67           H2*        C  67   3.116  -9.757   0.321
  722   2HO*    C  67          2HO*        C  67   0.920 -11.108  -0.441
  723    H1*    C  67           H1*        C  67   2.340 -12.396  -0.041
  724   1H4     C  67          1H4         C  67   7.359 -12.579   3.879
  725   2H4     C  67          2H4         C  67   8.449 -12.297   2.539
  726    H5     C  67           H5         C  67   7.693 -11.897   0.286
  727    H6     C  67           H6         C  67   5.732 -11.654  -1.163
  728   1H5*    U  68          1H5*        U  68   0.811  -8.555  -0.310
  729   2H5*    U  68          2H5*        U  68   0.408  -6.828  -0.370
  730    H4*    U  68           H4*        U  68   0.015  -7.683   1.870
  731    H3*    U  68           H3*        U  68   2.416  -5.849   1.634
  732    H2*    U  68           H2*        U  68   2.782  -6.085   3.947
  733   2HO*    U  68          2HO*        U  68   0.109  -7.064   4.099
  734    H1*    U  68           H1*        U  68   1.953  -8.750   4.161
  735    H3     U  68           H3         U  68   6.308  -8.927   5.384
  736    H5     U  68           H5         U  68   6.438  -8.270   1.222
  737    H6     U  68           H6         U  68   4.029  -7.998   1.255
  738   1H5*    U  69          1H5*        U  69   0.418  -5.061   4.688
  739   2H5*    U  69          2H5*        U  69  -0.265  -3.453   4.995
  740    H4*    U  69           H4*        U  69   0.765  -4.009   7.022
  741    H3*    U  69           H3*        U  69   2.710  -2.358   5.389
  742    H2*    U  69           H2*        U  69   4.276  -2.565   7.112
  743   2HO*    U  69          2HO*        U  69   2.424  -3.573   8.972
  744    H1*    U  69           H1*        U  69   3.487  -5.118   8.013
  745    H3     U  69           H3         U  69   7.778  -5.964   6.911
  746    H5     U  69           H5         U  69   6.012  -4.914   3.235
  747    H6     U  69           H6         U  69   3.978  -4.378   4.437
  748   1H5*    G  70          1H5*        G  70   2.706  -1.134   9.091
  749   2H5*    G  70          2H5*        G  70   2.890   0.601   9.415
  750    H4*    G  70           H4*        G  70   4.707  -0.594  10.468
  751    H3*    G  70           H3*        G  70   5.569   0.941   7.996
  752    H2*    G  70           H2*        G  70   7.753   0.192   8.362
  753   2HO*    G  70          2HO*        G  70   7.165  -0.570  11.026
  754    H1*    G  70           H1*        G  70   7.050  -2.233   9.677
  755    H8     G  70           H8         G  70   5.833  -1.474   6.081
  756    H1     G  70           H1         G  70  11.340  -4.711   6.505
  757   1H2     G  70          1H2         G  70  11.978  -4.834   8.628
  758   2H2     G  70          2H2         G  70  11.045  -4.126   9.930
  759   1H5*    G  71          1H5*        G  71   7.444   2.689  12.072
  760   2H5*    G  71          2H5*        G  71   7.888   4.359  11.664
  761    H4*    G  71           H4*        G  71   9.703   3.106  12.825
  762    H3*    G  71           H3*        G  71  10.181   4.126  10.018
  763    H2*    G  71           H2*        G  71  12.359   3.223  10.055
  764   2HO*    G  71          2HO*        G  71  11.985   3.274  12.852
  765    H1*    G  71           H1*        G  71  11.763   0.879  11.372
  766    H8     G  71           H8         G  71   9.095   1.854   8.809
  767    H1     G  71           H1         G  71  14.100  -1.248   6.292
  768   1H2     G  71          1H2         G  71  15.667  -1.529   7.842
  769   2H2     G  71          2H2         G  71  15.499  -0.928   9.475
  770   1H5*    U  72          1H5*        U  72  13.522   5.754  12.260
  771   2H5*    U  72          2H5*        U  72  13.546   7.505  11.973
  772    H4*    U  72           H4*        U  72  15.758   6.684  11.570
  773    H3*    U  72           H3*        U  72  14.260   7.283   9.009
  774    H2*    U  72           H2*        U  72  16.124   6.596   7.764
  775   2HO*    U  72          2HO*        U  72  17.471   7.578   9.911
  776    H1*    U  72           H1*        U  72  16.977   4.553   9.465
  777    H3     U  72           H3         U  72  15.880   2.356   5.649
  778    H5     U  72           H5         U  72  12.168   3.601   7.218
  779    H6     U  72           H6         U  72  13.373   4.829   8.928
  780   1H5*    U  73          1H5*        U  73  18.106   8.817   8.780
  781   2H5*    U  73          2H5*        U  73  18.111  10.545   8.372
  782    H4*    U  73           H4*        U  73  19.730   9.484   6.972
  783    H3*    U  73           H3*        U  73  17.170  10.111   5.477
  784    H2*    U  73           H2*        U  73  18.156   9.226   3.514
  785   2HO*    U  73          2HO*        U  73  20.588   9.551   4.930
  786    H1*    U  73           H1*        U  73  19.398   7.075   4.694
  787    H3     U  73           H3         U  73  16.100   5.064   2.375
  788    H5     U  73           H5         U  73  14.066   7.050   5.490
  789    H6     U  73           H6         U  73  16.176   8.054   6.137
  790   1H5*    C  74          1H5*        C  74  20.320  11.169   3.166
  791   2H5*    C  74          2H5*        C  74  20.119  12.702   2.300
  792    H4*    C  74           H4*        C  74  20.614  10.870   0.746
  793    H3*    C  74           H3*        C  74  17.820  12.034   0.565
  794    H2*    C  74           H2*        C  74  17.370  10.568  -1.220
  795   2HO*    C  74          2HO*        C  74  20.133   9.927  -1.407
  796    H1*    C  74           H1*        C  74  18.830   8.395  -0.258
  797   1H4     C  74          1H4         C  74  12.794   6.940   1.126
  798   2H4     C  74          2H4         C  74  12.764   8.139   2.400
  799    H5     C  74           H5         C  74  14.605   9.622   2.862
  800    H6     C  74           H6         C  74  16.853  10.310   2.177
  801   1H5*    U  75          1H5*        U  75  19.494  12.631  -2.977
  802   2H5*    U  75          2H5*        U  75  18.991  13.940  -4.064
  803    H4*    U  75           H4*        U  75  18.221  11.719  -4.834
  804    H3*    U  75           H3*        U  75  16.114  13.730  -4.008
  805    H2*    U  75           H2*        U  75  14.450  12.169  -4.502
  806   2HO*    U  75          2HO*        U  75  14.715  10.535  -6.005
  807    H1*    U  75           H1*        U  75  15.999   9.840  -3.990
  808    H3     U  75           H3         U  75  12.252   9.257  -1.510
  809    H5     U  75           H5         U  75  14.463  12.171   0.582
  810    H6     U  75           H6         U  75  15.990  12.274  -1.300
  811   1H5*    U  76          1H5*        U  76  15.640  12.729  -8.191
  812   2H5*    U  76          2H5*        U  76  15.139  14.076  -9.234
  813    H4*    U  76           H4*        U  76  13.648  12.123  -9.468
  814    H3*    U  76           H3*        U  76  12.509  14.674  -8.333
  815    H2*    U  76           H2*        U  76  10.467  13.656  -7.896
  816   2HO*    U  76          2HO*        U  76   9.952  12.899  -9.894
  817    H1*    U  76           H1*        U  76  11.378  11.000  -7.543
  818    H3     U  76           H3         U  76   9.105  11.901  -3.717
  819    H5     U  76           H5         U  76  12.634  14.176  -3.399
  820    H6     U  76           H6         U  76  13.163  13.553  -5.684
  821   1H5*    C  77          1H5*        C  77   8.540  15.810 -11.361
  822   2H5*    C  77          2H5*        C  77   8.753  16.023  -9.612
  823    H4*    C  77           H4*        C  77   7.179  13.855 -11.038
  824    H3*    C  77           H3*        C  77   6.421  16.255  -9.399
  825    H2*    C  77           H2*        C  77   4.828  15.068  -8.164
  826   2HO*    C  77          2HO*        C  77   4.884  12.752  -9.726
  827    H1*    C  77           H1*        C  77   6.090  12.624  -7.997
  828   1H4     C  77          1H4         C  77   7.285  15.728  -2.526
  829   2H4     C  77          2H4         C  77   8.754  16.362  -3.234
  830    H5     C  77           H5         C  77   9.359  16.028  -5.536
  831    H6     C  77           H6         C  77   8.686  15.027  -7.667
  832   1H5*    C  78          1H5*        C  78   1.371  16.511 -11.120
  833   2H5*    C  78          2H5*        C  78   1.944  17.882 -10.151
  834    H4*    C  78           H4*        C  78   0.267  15.595  -9.387
  835    H3*    C  78           H3*        C  78   0.725  18.403  -8.424
  836    H2*    C  78           H2*        C  78   0.275  17.874  -6.209
  837   2HO*    C  78          2HO*        C  78  -0.843  15.589  -5.993
  838    H1*    C  78           H1*        C  78   1.066  15.187  -6.178
  839   1H4     C  78          1H4         C  78   5.532  18.473  -2.999
  840   2H4     C  78          2H4         C  78   6.440  18.599  -4.487
  841    H5     C  78           H5         C  78   5.585  17.902  -6.621
  842    H6     C  78           H6         C  78   3.680  16.903  -7.795
  843   1H5*    U  79          1H5*        U  79  -1.746  21.649  -8.546
  844   2H5*    U  79          2H5*        U  79  -0.191  21.521  -7.700
  845    H4*    U  79           H4*        U  79  -2.601  19.736  -7.218
  846    H3*    U  79           H3*        U  79  -1.792  22.307  -5.964
  847    H2*    U  79           H2*        U  79  -1.627  21.510  -3.797
  848   2HO*    U  79          2HO*        U  79  -2.776  19.402  -3.316
  849    H1*    U  79           H1*        U  79  -0.997  18.842  -4.214
  850    H3     U  79           H3         U  79   2.276  21.235  -1.888
  851    H5     U  79           H5         U  79   3.375  21.167  -5.956
  852    H6     U  79           H6         U  79   1.169  20.300  -6.473
  853   1H5*    A  80          1H5*        A  80  -4.810  25.300  -4.834
  854   2H5*    A  80          2H5*        A  80  -3.131  25.846  -5.008
  855    H4*    A  80           H4*        A  80  -4.535  24.713  -2.603
  856    H3*    A  80           H3*        A  80  -3.769  27.283  -3.165
  857    H2*    A  80           H2*        A  80  -1.446  27.054  -3.235
  858   2HO*    A  80          2HO*        A  80  -0.749  27.902  -1.430
  859    H1*    A  80           H1*        A  80  -1.223  24.929  -1.174
  860    H8     A  80           H8         A  80  -1.036  24.703  -5.044
  861   1H6     A  80          1H6         A  80   5.004  23.730  -4.191
  862   2H6     A  80          2H6         A  80   3.711  23.813  -5.368
  863    H2     A  80           H2         A  80   3.156  24.573  -0.178
  864   1H5*    A  81          1H5*        A  81  -7.634  27.611   1.258
  865   2H5*    A  81          2H5*        A  81  -6.284  28.750   1.080
  866    H4*    A  81           H4*        A  81  -7.015  27.313   3.385
  867    H3*    A  81           H3*        A  81  -4.717  29.081   2.614
  868    H2*    A  81           H2*        A  81  -3.302  28.230   4.243
  869   2HO*    A  81          2HO*        A  81  -4.447  26.941   6.044
  870    H1*    A  81           H1*        A  81  -4.345  25.641   4.502
  871    H8     A  81           H8         A  81  -3.727  25.886   0.899
  872   1H6     A  81          1H6         A  81   2.309  25.178   1.989
  873   2H6     A  81          2H6         A  81   1.057  25.172   0.768
  874    H2     A  81           H2         A  81   0.289  26.054   5.910
  875   1H5*    G  82          1H5*        G  82  -4.281  32.617   6.820
  876   2H5*    G  82          2H5*        G  82  -3.647  32.435   5.171
  877    H4*    G  82           H4*        G  82  -2.815  31.020   7.699
  878    H3*    G  82           H3*        G  82  -1.473  32.742   5.645
  879    H2*    G  82           H2*        G  82   0.435  31.404   5.529
  880   2HO*    G  82          2HO*        G  82   1.263  30.772   7.344
  881    H1*    G  82           H1*        G  82  -0.681  28.916   5.924
  882    H8     G  82           H8         G  82  -3.037  30.437   3.523
  883    H1     G  82           H1         G  82   2.557  29.030   0.741
  884   1H2     G  82          1H2         G  82   4.084  28.581   2.286
  885   2H2     G  82          2H2         G  82   3.729  28.628   3.999
  886   1H5*    U  83          1H5*        U  83   1.398  32.723   8.283
  887   2H5*    U  83          2H5*        U  83   1.765  34.263   9.088
  888    H4*    U  83           H4*        U  83   3.832  33.547   8.225
  889    H3*    U  83           H3*        U  83   2.543  35.618   6.466
  890    H2*    U  83           H2*        U  83   4.153  35.358   4.786
  891   2HO*    U  83          2HO*        U  83   6.192  34.606   5.160
  892    H1*    U  83           H1*        U  83   4.593  32.645   4.992
  893    H3     U  83           H3         U  83   2.576  33.119   0.954
  894    H5     U  83           H5         U  83  -0.559  33.517   3.745
  895    H6     U  83           H6         U  83   1.102  33.501   5.515
  896   1H5*    C  84          1H5*        C  84   6.266  36.447   6.522
  897   2H5*    C  84          2H5*        C  84   6.876  38.022   7.071
  898    H4*    C  84           H4*        C  84   7.855  37.651   4.940
  899    H3*    C  84           H3*        C  84   5.525  39.567   4.824
  900    H2*    C  84           H2*        C  84   5.672  39.694   2.498
  901   2HO*    C  84          2HO*        C  84   8.239  38.483   2.518
  902    H1*    C  84           H1*        C  84   6.550  37.094   1.985
  903   1H4     C  84          1H4         C  84   0.404  37.066   0.357
  904   2H4     C  84          2H4         C  84  -0.076  37.126   2.038
  905    H5     C  84           H5         C  84   1.493  37.327   3.852
  906    H6     C  84           H6         C  84   3.865  37.508   4.451
  907   1H5*    C  85          1H5*        C  85   8.827  40.457   2.615
  908   2H5*    C  85          2H5*        C  85   9.588  42.042   2.854
  909    H4*    C  85           H4*        C  85   9.627  41.622   0.511
  910    H3*    C  85           H3*        C  85   7.454  43.568   1.303
  911    H2*    C  85           H2*        C  85   6.731  43.708  -0.933
  912   2HO*    C  85          2HO*        C  85   8.059  42.754  -2.640
  913    H1*    C  85           H1*        C  85   7.058  41.061  -1.614
  914   1H4     C  85          1H4         C  85   0.916  41.462   0.016
  915   2H4     C  85          2H4         C  85   1.342  41.620   1.703
  916    H5     C  85           H5         C  85   3.610  41.746   2.486
  917    H6     C  85           H6         C  85   5.969  41.756   1.824
  918   1H5*    U  86          1H5*        U  86   8.849  44.500  -2.243
  919   2H5*    U  86          2H5*        U  86   9.216  46.220  -2.482
  920    H4*    U  86           H4*        U  86   7.628  45.273  -4.168
  921    H3*    U  86           H3*        U  86   6.829  47.572  -2.406
  922    H2*    U  86           H2*        U  86   4.617  47.368  -2.942
  923   2HO*    U  86          2HO*        U  86   4.045  47.578  -4.963
  924    H1*    U  86           H1*        U  86   4.874  44.792  -4.341
  925    H3     U  86           H3         U  86   0.688  44.425  -2.701
  926    H5     U  86           H5         U  86   3.127  44.538   0.739
  927    H6     U  86           H6         U  86   5.014  45.035  -0.705
  928    H3T    U  86           H3T        U  86   7.804  48.489  -4.014
  929   1HO1  MN6 101          1HO1      MN6 101   3.582 -41.662  -4.345
  930   2HO1  MN6 101          2HO1      MN6 101   2.619 -42.867  -4.626
  931   1HO2  MN6 101          1HO2      MN6 101   0.955 -40.675  -0.491
  932   2HO2  MN6 101          2HO2      MN6 101   1.825 -41.757   0.238
  933   1HO3  MN6 101          1HO3      MN6 101   3.861 -43.848  -1.845
  934   2HO3  MN6 101          2HO3      MN6 101   4.205 -42.646  -0.897
  935   1HO4  MN6 101          1HO4      MN6 101   1.267 -39.792  -2.701
  936   2HO4  MN6 101          2HO4      MN6 101   0.198 -40.854  -3.135
  937   1HO5  MN6 101          1HO5      MN6 101   4.229 -40.547  -2.578
  938   2HO5  MN6 101          2HO5      MN6 101   3.213 -39.742  -1.696
  939   1HO6  MN6 101          1HO6      MN6 101   1.033 -43.797  -3.449
  940   2HO6  MN6 101          2HO6      MN6 101   0.122 -43.352  -2.253
  941   1HO1  MN6 102          1HO1      MN6 102   7.668 -29.202  -7.444
  942   2HO1  MN6 102          2HO1      MN6 102   6.184 -28.872  -7.063
  943   1HO2  MN6 102          1HO2      MN6 102   4.956 -28.217 -11.619
  944   2HO2  MN6 102          2HO2      MN6 102   6.130 -29.130 -12.116
  945   1HO3  MN6 102          1HO3      MN6 102   3.874 -28.364  -9.702
  946   2HO3  MN6 102          2HO3      MN6 102   4.242 -28.825  -8.250
  947   1HO4  MN6 102          1HO4      MN6 102   8.794 -28.706  -9.422
  948   2HO4  MN6 102          2HO4      MN6 102   8.419 -28.614 -10.942
  949   1HO5  MN6 102          1HO5      MN6 102   6.822 -31.213 -10.522
  950   2HO5  MN6 102          2HO5      MN6 102   5.269 -31.001 -10.518
  951   1HO6  MN6 102          1HO6      MN6 102   6.717 -26.879  -8.264
  952   2HO6  MN6 102          2HO6      MN6 102   6.824 -26.468  -9.772
  953   1HO1  MN6 103          1HO1      MN6 103 -11.258 -15.229  -1.423
  954   2HO1  MN6 103          2HO1      MN6 103  -9.970 -14.701  -2.144
  955   1HO2  MN6 103          1HO2      MN6 103  -7.174 -17.336   0.627
  956   2HO2  MN6 103          2HO2      MN6 103  -8.173 -18.544   0.607
  957   1HO3  MN6 103          1HO3      MN6 103  -9.343 -15.305   1.600
  958   2HO3  MN6 103          2HO3      MN6 103 -10.355 -14.651   0.596
  959   1HO4  MN6 103          1HO4      MN6 103  -8.844 -18.001  -2.537
  960   2HO4  MN6 103          2HO4      MN6 103  -7.506 -17.863  -1.732
  961   1HO5  MN6 103          1HO5      MN6 103  -7.317 -15.074   0.152
  962   2HO5  MN6 103          2HO5      MN6 103  -8.395 -14.183  -0.555
  963   1HO6  MN6 103          1HO6      MN6 103 -11.480 -17.428  -0.072
  964   2HO6  MN6 103          2HO6      MN6 103 -10.840 -18.336  -1.178
  965   1HO1  MN6 104          1HO1      MN6 104  -7.945  -3.539   1.414
  966   2HO1  MN6 104          2HO1      MN6 104  -8.352  -2.996   2.828
  967   1HO2  MN6 104          1HO2      MN6 104 -12.302  -0.988   0.824
  968   2HO2  MN6 104          2HO2      MN6 104 -11.201  -0.181   0.055
  969   1HO3  MN6 104          1HO3      MN6 104 -12.209  -3.570   1.029
  970   2HO3  MN6 104          2HO3      MN6 104 -11.092  -4.415   1.732
  971   1HO4  MN6 104          1HO4      MN6 104  -7.931  -1.080   0.861
  972   2HO4  MN6 104          2HO4      MN6 104  -9.030  -0.168   0.212
  973   1HO5  MN6 104          1HO5      MN6 104 -10.004  -2.905  -1.331
  974   2HO5  MN6 104          2HO5      MN6 104 -10.778  -4.009  -0.533
  975   1HO6  MN6 104          1HO6      MN6 104 -10.423  -0.299   2.648
  976   2HO6  MN6 104          2HO6      MN6 104 -11.174  -1.552   3.220
  977   1HO1  MN6 105          1HO1      MN6 105 -10.484  12.358   8.552
  978   2HO1  MN6 105          2HO1      MN6 105 -11.769  13.052   9.120
  979   1HO2  MN6 105          1HO2      MN6 105 -13.468  12.055   4.539
  980   2HO2  MN6 105          2HO2      MN6 105 -13.559  13.602   4.784
  981   1HO3  MN6 105          1HO3      MN6 105 -14.444  13.675   6.874
  982   2HO3  MN6 105          2HO3      MN6 105 -13.867  13.403   8.306
  983   1HO4  MN6 105          1HO4      MN6 105 -11.127  11.088   4.994
  984   2HO4  MN6 105          2HO4      MN6 105 -10.057  11.490   6.067
  985   1HO5  MN6 105          1HO5      MN6 105 -13.832  11.169   7.966
  986   2HO5  MN6 105          2HO5      MN6 105 -13.147  10.233   6.911
  987   1HO6  MN6 105          1HO6      MN6 105 -11.587  14.853   5.953
  988   2HO6  MN6 105          2HO6      MN6 105 -10.821  14.497   7.274
  989   1HO1  MN6 106          1HO1      MN6 106  -0.969  42.947   0.869
  990   2HO1  MN6 106          2HO1      MN6 106  -1.794  43.735  -0.206
  991   1HO2  MN6 106          1HO2      MN6 106  -3.475  38.987  -0.620
  992   2HO2  MN6 106          2HO2      MN6 106  -4.198  39.483   0.679
  993   1HO3  MN6 106          1HO3      MN6 106  -2.343  39.827   1.873
  994   2HO3  MN6 106          2HO3      MN6 106  -0.950  40.399   1.436
  995   1HO4  MN6 106          1HO4      MN6 106  -3.123  42.774  -2.061
  996   2HO4  MN6 106          2HO4      MN6 106  -4.102  41.552  -2.131
  997   1HO5  MN6 106          1HO5      MN6 106  -1.281  39.261  -0.743
  998   2HO5  MN6 106          2HO5      MN6 106  -1.108  40.316  -1.889
  999   1HO6  MN6 106          1HO6      MN6 106  -3.797  43.268   0.800
 1000   2HO6  MN6 106          2HO6      MN6 106  -3.919  42.080   1.815
 1001   1HO1  MN6 107          1HO1      MN6 107  -3.866  28.937  -8.847
 1002   2HO1  MN6 107          2HO1      MN6 107  -3.759  27.379  -8.976
 1003   1HO2  MN6 107          1HO2      MN6 107   0.926  29.201  -8.935
 1004   2HO2  MN6 107          2HO2      MN6 107   0.976  27.635  -9.009
 1005   1HO3  MN6 107          1HO3      MN6 107  -1.501  29.318 -11.679
 1006   2HO3  MN6 107          2HO3      MN6 107  -0.716  27.963 -11.744
 1007   1HO4  MN6 107          1HO4      MN6 107  -0.722  27.213  -7.288
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.069  28.702  -6.940
 1009   1HO5  MN6 107          1HO5      MN6 107  -2.266  25.999  -9.907
 1010   2HO5  MN6 107          2HO5      MN6 107  -0.826  26.136 -10.511
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.938  30.550  -8.466
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.049  30.587 -10.029
 1013   1HO1  MN6 108          1HO1      MN6 108  10.394  15.811   4.845
 1014   2HO1  MN6 108          2HO1      MN6 108   8.834  15.908   4.973
 1015   1HO2  MN6 108          1HO2      MN6 108   8.423  14.821   0.413
 1016   2HO2  MN6 108          2HO2      MN6 108   8.931  16.253   0.028
 1017   1HO3  MN6 108          1HO3      MN6 108   7.192  14.879   3.148
 1018   2HO3  MN6 108          2HO3      MN6 108   7.122  16.428   3.386
 1019   1HO4  MN6 108          1HO4      MN6 108  11.603  15.830   1.371
 1020   2HO4  MN6 108          2HO4      MN6 108  11.797  16.240   2.872
 1021   1HO5  MN6 108          1HO5      MN6 108   9.331  13.321   2.156
 1022   2HO5  MN6 108          2HO5      MN6 108   9.991  13.616   3.547
 1023   1HO6  MN6 108          1HO6      MN6 108   9.050  18.219   2.953
 1024   2HO6  MN6 108          2HO6      MN6 108  10.046  18.103   1.749
 1025   1HO1  MN6 109          1HO1      MN6 109   8.228   2.530   0.677
 1026   2HO1  MN6 109          2HO1      MN6 109   9.352   3.208   1.534
 1027   1HO2  MN6 109          1HO2      MN6 109   8.184   0.340   5.164
 1028   2HO2  MN6 109          2HO2      MN6 109   7.052  -0.269   4.266
 1029   1HO3  MN6 109          1HO3      MN6 109   6.405  -0.036   2.123
 1030   2HO3  MN6 109          2HO3      MN6 109   6.862   0.885   0.939
 1031   1HO4  MN6 109          1HO4      MN6 109   9.679   3.101   3.684
 1032   2HO4  MN6 109          2HO4      MN6 109  10.492   1.832   4.118
 1033   1HO5  MN6 109          1HO5      MN6 109   6.505   2.124   4.003
 1034   2HO5  MN6 109          2HO5      MN6 109   6.299   2.315   2.460
 1035   1HO6  MN6 109          1HO6      MN6 109  10.716   0.278   2.117
 1036   2HO6  MN6 109          2HO6      MN6 109   9.938  -0.871   2.845
 1037   1HO1  MN6 110          1HO1      MN6 110  10.945 -11.333  11.516
 1038   2HO1  MN6 110          2HO1      MN6 110  11.668 -10.607  10.329
 1039   1HO2  MN6 110          1HO2      MN6 110   8.803 -14.347   8.486
 1040   2HO2  MN6 110          2HO2      MN6 110   8.890 -13.310   7.315
 1041   1HO3  MN6 110          1HO3      MN6 110  11.320 -14.457   9.770
 1042   2HO3  MN6 110          2HO3      MN6 110  11.840 -13.355  10.757
 1043   1HO4  MN6 110          1HO4      MN6 110   9.412 -11.212   7.229
 1044   2HO4  MN6 110          2HO4      MN6 110   9.958 -10.136   8.229
 1045   1HO5  MN6 110          1HO5      MN6 110  12.581 -12.424   8.942
 1046   2HO5  MN6 110          2HO5      MN6 110  11.993 -11.358   7.954
 1047   1HO6  MN6 110          1HO6      MN6 110   8.786 -12.538  11.381
 1048   2HO6  MN6 110          2HO6      MN6 110   7.860 -11.895  10.293
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  10.305 -44.292  -4.029
    2   2H5*    G   1          2H5*        G   1  10.979 -42.655  -4.171
    3    H4*    G   1           H4*        G   1  10.853 -43.275  -6.392
    4    H3*    G   1           H3*        G   1   8.379 -41.776  -5.626
    5    H2*    G   1           H2*        G   1   7.188 -42.375  -7.543
    6   2HO*    G   1          2HO*        G   1   9.730 -42.981  -8.677
    7    H1*    G   1           H1*        G   1   8.088 -44.930  -7.918
    8    H8     G   1           H8         G   1   7.675 -44.717  -4.227
    9    H1     G   1           H1         G   1   2.032 -45.001  -7.245
   10   1H2     G   1          1H2         G   1   2.321 -44.702  -9.424
   11   2H2     G   1          2H2         G   1   3.896 -44.428 -10.135
   12    H5T    G   1           H5T        G   1   8.208 -42.899  -4.254
   13   1H5*    G   2          1H5*        G   2   8.419 -41.137  -9.343
   14   2H5*    G   2          2H5*        G   2   8.686 -39.444  -9.804
   15    H4*    G   2           H4*        G   2   6.749 -40.279 -10.983
   16    H3*    G   2           H3*        G   2   6.170 -38.298  -8.784
   17    H2*    G   2           H2*        G   2   3.876 -38.576  -9.032
   18   2HO*    G   2          2HO*        G   2   4.474 -39.418 -11.684
   19    H1*    G   2           H1*        G   2   3.871 -41.226 -10.033
   20    H8     G   2           H8         G   2   5.689 -40.953  -6.730
   21    H1     G   2           H1         G   2  -0.674 -41.357  -6.112
   22   1H2     G   2          1H2         G   2  -1.643 -41.123  -8.095
   23   2H2     G   2          2H2         G   2  -0.727 -40.871  -9.564
   24   1H5*    G   3          1H5*        G   3   4.125 -37.411 -11.901
   25   2H5*    G   3          2H5*        G   3   4.202 -35.845 -12.734
   26    H4*    G   3           H4*        G   3   1.894 -36.300 -12.424
   27    H3*    G   3           H3*        G   3   2.947 -34.320 -10.404
   28    H2*    G   3           H2*        G   3   0.927 -34.311  -9.257
   29   2HO*    G   3          2HO*        G   3  -1.023 -35.162 -10.455
   30    H1*    G   3           H1*        G   3   0.034 -36.911  -9.973
   31    H8     G   3           H8         G   3   3.440 -36.574  -8.232
   32    H1     G   3           H1         G   3  -1.532 -37.236  -4.254
   33   1H2     G   3          1H2         G   3  -3.436 -37.136  -5.404
   34   2H2     G   3          2H2         G   3  -3.474 -36.906  -7.137
   35   1H5*    A   4          1H5*        A   4  -0.705 -33.451 -11.752
   36   2H5*    A   4          2H5*        A   4  -0.920 -31.892 -12.573
   37    H4*    A   4           H4*        A   4  -2.816 -32.179 -11.161
   38    H3*    A   4           H3*        A   4  -0.796 -30.232 -10.065
   39    H2*    A   4           H2*        A   4  -1.932 -30.042  -8.049
   40   2HO*    A   4          2HO*        A   4  -4.281 -30.889  -8.105
   41    H1*    A   4           H1*        A   4  -3.181 -32.576  -8.002
   42    H8     A   4           H8         A   4   0.653 -32.234  -8.381
   43   1H6     A   4          1H6         A   4   0.854 -33.131  -2.275
   44   2H6     A   4          2H6         A   4   1.801 -32.942  -3.733
   45    H2     A   4           H2         A   4  -3.466 -32.845  -3.486
   46   1H5*    U   5          1H5*        U   5  -4.684 -28.889  -9.196
   47   2H5*    U   5          2H5*        U   5  -4.829 -27.136  -9.435
   48    H4*    U   5           H4*        U   5  -5.463 -27.880  -7.141
   49    H3*    U   5           H3*        U   5  -3.198 -25.942  -7.553
   50    H2*    U   5           H2*        U   5  -2.565 -26.026  -5.323
   51   2HO*    U   5          2HO*        U   5  -4.112 -26.675  -3.679
   52    H1*    U   5           H1*        U   5  -3.535 -28.604  -4.670
   53    H3     U   5           H3         U   5   0.752 -29.201  -3.482
   54    H5     U   5           H5         U   5   1.001 -28.382  -7.610
   55    H6     U   5           H6         U   5  -1.390 -27.965  -7.604
   56   1H5*    A   6          1H5*        A   6  -7.207 -21.466  -6.267
   57   2H5*    A   6          2H5*        A   6  -5.515 -21.619  -5.753
   58    H4*    A   6           H4*        A   6  -7.697 -23.175  -4.369
   59    H3*    A   6           H3*        A   6  -7.804 -20.400  -4.370
   60    H2*    A   6           H2*        A   6  -5.824 -19.914  -3.238
   61   2HO*    A   6          2HO*        A   6  -6.402 -19.402  -1.267
   62    H1*    A   6           H1*        A   6  -5.850 -22.385  -1.564
   63    H8     A   6           H8         A   6  -3.650 -21.288  -4.571
   64   1H6     A   6          1H6         A   6   0.937 -21.003  -0.439
   65   2H6     A   6          2H6         A   6   0.517 -20.843  -2.128
   66    H2     A   6           H2         A   6  -2.848 -22.009   1.760
   67   1H5*    U   7          1H5*        U   7 -10.553 -21.350   0.581
   68   2H5*    U   7          2H5*        U   7 -10.074 -19.647   0.726
   69    H4*    U   7           H4*        U   7  -9.605 -20.772   2.813
   70    H3*    U   7           H3*        U   7  -7.630 -19.341   1.483
   71    H2*    U   7           H2*        U   7  -6.376 -21.155   0.675
   72   2HO*    U   7          2HO*        U   7  -4.635 -21.122   1.870
   73    H1*    U   7           H1*        U   7  -6.952 -22.826   3.107
   74    H3     U   7           H3         U   7  -7.982 -26.422  -0.050
   75    H5     U   7           H5         U   7  -4.246 -24.599  -0.753
   76    H6     U   7           H6         U   7  -4.912 -22.809   0.747
   77   1H5*    G   8          1H5*        G   8  -3.974 -20.556   3.654
   78   2H5*    G   8          2H5*        G   8  -4.369 -19.503   5.028
   79    H4*    G   8           H4*        G   8  -2.201 -18.855   4.692
   80    H3*    G   8           H3*        G   8  -3.944 -17.113   3.003
   81    H2*    G   8           H2*        G   8  -2.218 -16.320   1.668
   82   2HO*    G   8          2HO*        G   8  -0.876 -15.584   3.303
   83    H1*    G   8           H1*        G   8  -0.524 -18.497   1.633
   84    H8     G   8           H8         G   8  -4.114 -19.590   1.099
   85    H1     G   8           H1         G   8  -1.315 -17.390  -4.213
   86   1H2     G   8          1H2         G   8   0.637 -16.474  -3.725
   87   2H2     G   8          2H2         G   8   1.256 -16.400  -2.092
   88   1H5*    G   9          1H5*        G   9  -4.550 -13.307   2.622
   89   2H5*    G   9          2H5*        G   9  -4.117 -15.012   2.381
   90    H4*    G   9           H4*        G   9  -1.762 -13.296   2.383
   91    H3*    G   9           H3*        G   9  -4.050 -12.447   0.654
   92    H2*    G   9           H2*        G   9  -2.837 -12.552  -1.337
   93   2HO*    G   9          2HO*        G   9  -0.914 -11.724  -1.340
   94    H1*    G   9           H1*        G   9  -1.203 -14.689  -0.828
   95    H8     G   9           H8         G   9  -4.219 -16.180   0.485
   96    H1     G   9           H1         G   9  -4.843 -15.187  -5.809
   97   1H2     G   9          1H2         G   9  -3.261 -13.802  -6.516
   98   2H2     G   9          2H2         G   9  -2.058 -13.120  -5.445
   99   1H5*    A  10          1H5*        A  10  -1.488  -8.943   0.489
  100   2H5*    A  10          2H5*        A  10  -2.362  -7.409   0.684
  101    H4*    A  10           H4*        A  10  -1.377  -7.681  -1.580
  102    H3*    A  10           H3*        A  10  -4.368  -7.451  -1.273
  103    H2*    A  10           H2*        A  10  -4.708  -7.813  -3.553
  104   2HO*    A  10          2HO*        A  10  -3.228  -6.193  -4.227
  105    H1*    A  10           H1*        A  10  -2.546  -9.511  -4.051
  106    H8     A  10           H8         A  10  -4.274 -10.910  -1.064
  107   1H6     A  10          1H6         A  10  -8.485 -13.326  -4.884
  108   2H6     A  10          2H6         A  10  -7.871 -13.309  -3.247
  109    H2     A  10           H2         A  10  -5.976 -10.439  -7.242
  110   1H5*    A  11          1H5*        A  11  -2.769  -4.247  -3.996
  111   2H5*    A  11          2H5*        A  11  -3.742  -2.765  -3.909
  112    H4*    A  11           H4*        A  11  -3.438  -3.690  -6.229
  113    H3*    A  11           H3*        A  11  -6.181  -3.275  -5.045
  114    H2*    A  11           H2*        A  11  -7.210  -4.206  -6.943
  115   2HO*    A  11          2HO*        A  11  -4.934  -4.487  -8.502
  116    H1*    A  11           H1*        A  11  -5.408  -6.218  -7.448
  117    H8     A  11           H8         A  11  -5.916  -5.989  -3.703
  118   1H6     A  11          1H6         A  11 -10.937  -9.504  -4.512
  119   2H6     A  11          2H6         A  11  -9.850  -8.799  -3.336
  120    H2     A  11           H2         A  11  -9.468  -8.230  -8.563
  121   1H5*    G  12          1H5*        G  12  -6.651  -0.676  -8.627
  122   2H5*    G  12          2H5*        G  12  -7.455   0.786  -8.020
  123    H4*    G  12           H4*        G  12  -8.754  -0.412  -9.783
  124    H3*    G  12           H3*        G  12  -9.930  -0.063  -7.023
  125    H2*    G  12           H2*        G  12 -11.842  -1.278  -7.636
  126   2HO*    G  12          2HO*        G  12 -11.972  -1.800 -10.071
  127    H1*    G  12           H1*        G  12 -10.630  -3.122  -9.310
  128    H8     G  12           H8         G  12  -8.587  -2.714  -6.149
  129    H1     G  12           H1         G  12 -13.683  -6.512  -5.410
  130   1H2     G  12          1H2         G  12 -14.996  -6.374  -7.194
  131   2H2     G  12          2H2         G  12 -14.618  -5.349  -8.560
  132   1H5*    A  13          1H5*        A  13 -12.706   0.823  -9.572
  133   2H5*    A  13          2H5*        A  13 -13.436   2.441  -9.568
  134    H4*    A  13           H4*        A  13 -15.266   0.959  -9.622
  135    H3*    A  13           H3*        A  13 -14.765   1.957  -6.817
  136    H2*    A  13           H2*        A  13 -16.442   0.562  -5.967
  137   2HO*    A  13          2HO*        A  13 -17.502  -0.264  -8.398
  138    H1*    A  13           H1*        A  13 -16.115  -1.592  -7.693
  139    H8     A  13           H8         A  13 -12.919  -0.108  -6.137
  140   1H6     A  13          1H6         A  13 -13.675  -4.332  -1.694
  141   2H6     A  13          2H6         A  13 -12.614  -3.101  -2.344
  142    H2     A  13           H2         A  13 -17.295  -4.462  -4.357
  143   1H5*    A  14          1H5*        A  14 -18.730   1.754  -7.592
  144   2H5*    A  14          2H5*        A  14 -19.528   3.339  -7.623
  145    H4*    A  14           H4*        A  14 -21.077   2.020  -6.493
  146    H3*    A  14           H3*        A  14 -19.323   3.410  -4.466
  147    H2*    A  14           H2*        A  14 -20.374   2.254  -2.704
  148   2HO*    A  14          2HO*        A  14 -22.317   0.919  -4.100
  149    H1*    A  14           H1*        A  14 -20.623  -0.192  -3.924
  150    H8     A  14           H8         A  14 -17.382   1.855  -4.487
  151   1H6     A  14          1H6         A  14 -15.030  -1.488   0.135
  152   2H6     A  14          2H6         A  14 -14.690  -0.289  -1.091
  153    H2     A  14           H2         A  14 -19.380  -2.555  -0.267
  154   1H5*    C  15          1H5*        C  15 -22.686   3.339  -2.777
  155   2H5*    C  15          2H5*        C  15 -23.436   4.906  -2.415
  156    H4*    C  15           H4*        C  15 -23.561   3.815  -0.367
  157    H3*    C  15           H3*        C  15 -20.979   5.400  -0.373
  158    H2*    C  15           H2*        C  15 -20.466   4.537   1.740
  159   2HO*    C  15          2HO*        C  15 -23.190   4.611   2.015
  160    H1*    C  15           H1*        C  15 -21.749   2.040   1.438
  161   1H4     C  15          1H4         C  15 -15.569   0.600   1.208
  162   2H4     C  15          2H4         C  15 -15.357   1.533  -0.256
  163    H5     C  15           H5         C  15 -17.131   2.795  -1.286
  164    H6     C  15           H6         C  15 -19.483   3.461  -1.119
  165   1H5*    C  16          1H5*        C  16 -22.641   5.701   3.310
  166   2H5*    C  16          2H5*        C  16 -22.607   7.357   3.951
  167    H4*    C  16           H4*        C  16 -21.517   5.851   5.516
  168    H3*    C  16           H3*        C  16 -19.679   7.752   4.051
  169    H2*    C  16           H2*        C  16 -17.822   6.789   5.069
  170   2HO*    C  16          2HO*        C  16 -19.644   6.313   7.144
  171    H1*    C  16           H1*        C  16 -18.912   4.199   5.494
  172   1H4     C  16          1H4         C  16 -14.331   3.275   1.202
  173   2H4     C  16          2H4         C  16 -15.134   4.313   0.045
  174    H5     C  16           H5         C  16 -17.187   5.488   0.523
  175    H6     C  16           H6         C  16 -18.886   5.952   2.230
  176   1H5*    G  17          1H5*        G  17 -20.000   7.938   8.841
  177   2H5*    G  17          2H5*        G  17 -19.517   9.590   9.276
  178    H4*    G  17           H4*        G  17 -18.574   7.894  10.812
  179    H3*    G  17           H3*        G  17 -16.665   9.523   9.129
  180    H2*    G  17           H2*        G  17 -14.834   8.371  10.061
  181   2HO*    G  17          2HO*        G  17 -15.389   6.822  11.888
  182    H1*    G  17           H1*        G  17 -15.959   5.863  10.124
  183    H8     G  17           H8         G  17 -16.983   7.546   6.909
  184    H1     G  17           H1         G  17 -11.054   5.140   6.707
  185   1H2     G  17          1H2         G  17 -10.407   4.546   8.745
  186   2H2     G  17          2H2         G  17 -11.432   4.739  10.149
  187   1H5*    G  18          1H5*        G  18 -14.641   8.976  12.345
  188   2H5*    G  18          2H5*        G  18 -14.478  10.492  13.252
  189    H4*    G  18           H4*        G  18 -12.310   9.558  13.227
  190    H3*    G  18           H3*        G  18 -12.581  11.698  11.111
  191    H2*    G  18           H2*        G  18 -10.440  11.242  10.318
  192   2HO*    G  18          2HO*        G  18  -9.060   9.857  11.901
  193    H1*    G  18           H1*        G  18 -10.302   8.514  11.100
  194    H8     G  18           H8         G  18 -13.262   9.290   8.869
  195    H1     G  18           H1         G  18  -7.829   8.304   5.633
  196   1H2     G  18          1H2         G  18  -6.113   8.222   7.039
  197   2H2     G  18          2H2         G  18  -6.305   8.408   8.767
  198   1H5*    G  19          1H5*        G  19  -8.878  11.818  12.450
  199   2H5*    G  19          2H5*        G  19  -8.572  13.305  13.370
  200    H4*    G  19           H4*        G  19  -6.669  13.067  12.011
  201    H3*    G  19           H3*        G  19  -8.627  15.010  10.796
  202    H2*    G  19           H2*        G  19  -7.410  15.146   8.828
  203   2HO*    G  19          2HO*        G  19  -5.018  14.156   9.278
  204    H1*    G  19           H1*        G  19  -6.106  12.621   8.950
  205    H8     G  19           H8         G  19  -9.959  13.015   8.935
  206    H1     G  19           H1         G  19  -7.310  11.954   3.204
  207   1H2     G  19          1H2         G  19  -5.098  11.934   3.379
  208   2H2     G  19          2H2         G  19  -4.276  12.184   4.903
  209   1H5*    G  20          1H5*        G  20  -8.106  19.319  10.511
  210   2H5*    G  20          2H5*        G  20  -9.136  18.517   9.307
  211    H4*    G  20           H4*        G  20  -6.136  18.728   9.420
  212    H3*    G  20           H3*        G  20  -8.287  19.438   7.472
  213    H2*    G  20           H2*        G  20  -7.167  18.572   5.603
  214   2HO*    G  20          2HO*        G  20  -5.154  19.464   5.859
  215    H1*    G  20           H1*        G  20  -6.119  16.316   6.664
  216    H8     G  20           H8         G  20  -9.291  16.428   8.540
  217    H1     G  20           H1         G  20 -10.348  15.164   2.358
  218   1H2     G  20          1H2         G  20  -8.513  15.525   1.183
  219   2H2     G  20          2H2         G  20  -7.023  16.080   1.912
  220   1H5*    A  21          1H5*        A  21  -8.634  24.090   6.991
  221   2H5*    A  21          2H5*        A  21  -9.645  22.721   6.484
  222    H4*    A  21           H4*        A  21  -9.477  24.541   4.779
  223    H3*    A  21           H3*        A  21  -8.704  21.715   4.188
  224    H2*    A  21           H2*        A  21  -7.661  22.215   2.154
  225   2HO*    A  21          2HO*        A  21  -8.162  23.975   0.931
  226    H1*    A  21           H1*        A  21  -6.503  24.607   2.753
  227    H8     A  21           H8         A  21  -6.356  22.247   5.745
  228   1H6     A  21          1H6         A  21  -1.061  20.148   3.377
  229   2H6     A  21          2H6         A  21  -2.137  20.110   4.757
  230    H2     A  21           H2         A  21  -2.934  22.893   0.349
  231   1H5*    A  22          1H5*        A  22 -10.913  19.562   0.691
  232   2H5*    A  22          2H5*        A  22  -9.700  18.613   1.573
  233    H4*    A  22           H4*        A  22  -9.363  20.558  -0.659
  234    H3*    A  22           H3*        A  22  -8.238  17.891   0.118
  235    H2*    A  22           H2*        A  22  -6.079  18.396  -0.582
  236   2HO*    A  22          2HO*        A  22  -5.640  19.721  -2.254
  237    H1*    A  22           H1*        A  22  -6.012  21.125  -0.100
  238    H8     A  22           H8         A  22  -7.196  20.318   3.149
  239   1H6     A  22          1H6         A  22  -1.867  17.510   4.511
  240   2H6     A  22          2H6         A  22  -3.340  18.194   5.162
  241    H2     A  22           H2         A  22  -2.068  18.006   0.047
  242   1H5*    A  23          1H5*        A  23  -7.269  16.839  -5.075
  243   2H5*    A  23          2H5*        A  23  -7.689  15.316  -4.266
  244    H4*    A  23           H4*        A  23  -5.249  15.877  -5.364
  245    H3*    A  23           H3*        A  23  -6.158  13.918  -3.293
  246    H2*    A  23           H2*        A  23  -4.010  13.531  -2.450
  247   2HO*    A  23          2HO*        A  23  -2.599  13.174  -3.978
  248    H1*    A  23           H1*        A  23  -2.943  16.030  -2.634
  249    H8     A  23           H8         A  23  -6.644  15.939  -1.597
  250   1H6     A  23          1H6         A  23  -4.575  15.855   4.222
  251   2H6     A  23          2H6         A  23  -5.997  15.977   3.206
  252    H2     A  23           H2         A  23  -1.023  15.463   1.474
  253   1H5*    C  24          1H5*        C  24  -3.590  11.709  -5.021
  254   2H5*    C  24          2H5*        C  24  -3.909   9.969  -5.167
  255    H4*    C  24           H4*        C  24  -2.258  10.596  -3.373
  256    H3*    C  24           H3*        C  24  -4.779   9.074  -2.690
  257    H2*    C  24           H2*        C  24  -4.197   9.082  -0.417
  258   2HO*    C  24          2HO*        C  24  -1.729  10.122  -0.367
  259    H1*    C  24           H1*        C  24  -3.001  11.592  -0.325
  260   1H4     C  24          1H4         C  24  -8.822  12.360   2.141
  261   2H4     C  24          2H4         C  24  -9.532  12.322   0.543
  262    H5     C  24           H5         C  24  -8.252  11.921  -1.461
  263    H6     C  24           H6         C  24  -6.024  11.434  -2.357
  264   1H5*    U  25          1H5*        U  25  -2.006   7.699  -0.507
  265   2H5*    U  25          2H5*        U  25  -1.703   5.950  -0.539
  266    H4*    U  25           H4*        U  25  -1.979   6.672   1.757
  267    H3*    U  25           H3*        U  25  -4.270   5.039   0.651
  268    H2*    U  25           H2*        U  25  -5.437   5.273   2.662
  269   2HO*    U  25          2HO*        U  25  -4.333   5.856   4.622
  270    H1*    U  25           H1*        U  25  -4.423   7.798   3.409
  271    H3     U  25           H3         U  25  -8.884   8.526   3.297
  272    H5     U  25           H5         U  25  -7.827   8.037  -0.755
  273    H6     U  25           H6         U  25  -5.591   7.436  -0.031
  274   1H5*    U  26          1H5*        U  26  -3.260   4.148   4.192
  275   2H5*    U  26          2H5*        U  26  -2.582   2.568   4.632
  276    H4*    U  26           H4*        U  26  -3.999   2.963   6.418
  277    H3*    U  26           H3*        U  26  -5.594   1.464   4.334
  278    H2*    U  26           H2*        U  26  -7.521   1.664   5.640
  279   2HO*    U  26          2HO*        U  26  -5.728   2.077   7.805
  280    H1*    U  26           H1*        U  26  -6.961   4.151   6.800
  281    H3     U  26           H3         U  26 -10.687   5.285   4.549
  282    H5     U  26           H5         U  26  -8.049   4.076   1.495
  283    H6     U  26           H6         U  26  -6.454   3.445   3.210
  284   1H5*    G  27          1H5*        G  27  -6.326  -0.069   8.114
  285   2H5*    G  27          2H5*        G  27  -6.861  -1.761   8.139
  286    H4*    G  27           H4*        G  27  -8.551  -0.096   8.988
  287    H3*    G  27           H3*        G  27  -9.257  -1.840   6.609
  288    H2*    G  27           H2*        G  27 -11.365  -0.831   6.555
  289   2HO*    G  27          2HO*        G  27 -12.350  -0.794   8.407
  290    H1*    G  27           H1*        G  27 -10.564   1.675   7.625
  291    H8     G  27           H8         G  27  -8.805   0.372   4.458
  292    H1     G  27           H1         G  27 -14.115   3.781   3.374
  293   1H2     G  27          1H2         G  27 -15.134   4.218   5.301
  294   2H2     G  27          2H2         G  27 -14.505   3.671   6.839
  295   1H5*    G  28          1H5*        G  28 -12.048  -3.287  10.105
  296   2H5*    G  28          2H5*        G  28 -12.084  -5.046   9.871
  297    H4*    G  28           H4*        G  28 -14.351  -4.243  10.088
  298    H3*    G  28           H3*        G  28 -13.586  -5.083   7.284
  299    H2*    G  28           H2*        G  28 -15.737  -4.500   6.517
  300   2HO*    G  28          2HO*        G  28 -16.738  -4.004   9.099
  301    H1*    G  28           H1*        G  28 -16.073  -2.220   8.020
  302    H8     G  28           H8         G  28 -12.541  -2.681   6.588
  303    H1     G  28           H1         G  28 -16.635   0.194   2.591
  304   1H2     G  28          1H2         G  28 -18.676   0.184   3.468
  305   2H2     G  28          2H2         G  28 -19.036  -0.552   5.012
  306   1H5*    U  29          1H5*        U  29 -17.392  -7.128   7.768
  307   2H5*    U  29          2H5*        U  29 -17.057  -8.811   7.315
  308    H4*    U  29           H4*        U  29 -18.948  -7.943   6.035
  309    H3*    U  29           H3*        U  29 -16.416  -8.458   4.463
  310    H2*    U  29           H2*        U  29 -17.428  -7.650   2.527
  311   2HO*    U  29          2HO*        U  29 -19.695  -8.713   3.720
  312    H1*    U  29           H1*        U  29 -19.243  -5.851   3.758
  313    H3     U  29           H3         U  29 -17.024  -3.183   0.855
  314    H5     U  29           H5         U  29 -14.114  -4.196   3.735
  315    H6     U  29           H6         U  29 -15.721  -5.724   4.721
  316   1H5*    U  30          1H5*        U  30 -20.187 -10.295   2.583
  317   2H5*    U  30          2H5*        U  30 -19.645 -11.823   1.861
  318    H4*    U  30           H4*        U  30 -20.982 -10.428   0.298
  319    H3*    U  30           H3*        U  30 -18.100 -11.023  -0.398
  320    H2*    U  30           H2*        U  30 -18.315  -9.776  -2.376
  321   2HO*    U  30          2HO*        U  30 -21.122  -9.575  -2.101
  322    H1*    U  30           H1*        U  30 -20.012  -7.802  -1.396
  323    H3     U  30           H3         U  30 -16.312  -5.399  -2.297
  324    H5     U  30           H5         U  30 -15.155  -7.820   0.954
  325    H6     U  30           H6         U  30 -17.295  -8.953   0.785
  326   1H5*    C  31          1H5*        C  31 -20.500 -11.756  -3.791
  327   2H5*    C  31          2H5*        C  31 -19.838 -13.044  -4.817
  328    H4*    C  31           H4*        C  31 -20.046 -10.798  -5.937
  329    H3*    C  31           H3*        C  31 -17.340 -12.141  -5.726
  330    H2*    C  31           H2*        C  31 -16.362 -10.326  -6.834
  331   2HO*    C  31          2HO*        C  31 -17.327  -9.529  -8.513
  332    H1*    C  31           H1*        C  31 -18.081  -8.325  -5.863
  333   1H4     C  31          1H4         C  31 -12.649  -7.388  -2.704
  334   2H4     C  31          2H4         C  31 -12.905  -8.842  -1.764
  335    H5     C  31           H5         C  31 -14.753 -10.343  -2.130
  336    H6     C  31           H6         C  31 -16.743 -10.788  -3.491
  337   1H5*    U  32          1H5*        U  32 -17.745 -11.552 -10.130
  338   2H5*    U  32          2H5*        U  32 -17.268 -13.113 -10.830
  339    H4*    U  32           H4*        U  32 -15.966 -11.303 -11.821
  340    H3*    U  32           H3*        U  32 -14.492 -13.258 -10.062
  341    H2*    U  32           H2*        U  32 -12.498 -12.048 -10.258
  342   2HO*    U  32          2HO*        U  32 -11.950 -11.083 -12.056
  343    H1*    U  32           H1*        U  32 -13.551  -9.490 -10.312
  344    H3     U  32           H3         U  32 -11.387  -9.420  -6.366
  345    H5     U  32           H5         U  32 -14.557 -12.109  -5.698
  346    H6     U  32           H6         U  32 -15.128 -11.913  -8.049
  347   1H5*    U  33          1H5*        U  33 -12.493 -12.316 -13.803
  348   2H5*    U  33          2H5*        U  33 -11.691 -13.724 -14.527
  349    H4*    U  33           H4*        U  33 -10.218 -11.717 -14.348
  350    H3*    U  33           H3*        U  33  -9.486 -14.284 -12.957
  351    H2*    U  33           H2*        U  33  -7.678 -13.304 -11.871
  352   2HO*    U  33          2HO*        U  33  -7.404 -10.938 -13.164
  353    H1*    U  33           H1*        U  33  -8.626 -10.661 -11.702
  354    H3     U  33           H3         U  33  -7.991 -11.613  -7.333
  355    H5     U  33           H5         U  33 -11.172 -14.137  -8.458
  356    H6     U  33           H6         U  33 -10.857 -13.409 -10.751
  357   1H5*    C  34          1H5*        C  34  -4.545 -15.154 -14.889
  358   2H5*    C  34          2H5*        C  34  -5.400 -15.534 -13.380
  359    H4*    C  34           H4*        C  34  -3.646 -13.109 -13.902
  360    H3*    C  34           H3*        C  34  -3.167 -15.707 -12.479
  361    H2*    C  34           H2*        C  34  -2.280 -14.683 -10.585
  362   2HO*    C  34          2HO*        C  34  -0.836 -13.206 -10.916
  363    H1*    C  34           H1*        C  34  -3.737 -12.321 -10.580
  364   1H4     C  34          1H4         C  34  -6.311 -16.161  -6.160
  365   2H4     C  34          2H4         C  34  -7.456 -16.721  -7.358
  366    H5     C  34           H5         C  34  -7.342 -16.105  -9.682
  367    H6     C  34           H6         C  34  -6.107 -14.818 -11.363
  368   1H5*    C  35          1H5*        C  35   1.728 -16.741 -12.350
  369   2H5*    C  35          2H5*        C  35   0.443 -17.399 -11.318
  370    H4*    C  35           H4*        C  35   2.522 -15.311 -10.659
  371    H3*    C  35           H3*        C  35   1.851 -18.051  -9.666
  372    H2*    C  35           H2*        C  35   1.955 -17.480  -7.412
  373   2HO*    C  35          2HO*        C  35   3.939 -15.883  -8.295
  374    H1*    C  35           H1*        C  35   1.052 -14.879  -7.493
  375   1H4     C  35          1H4         C  35  -3.910 -18.535  -5.768
  376   2H4     C  35          2H4         C  35  -4.415 -18.574  -7.442
  377    H5     C  35           H5         C  35  -3.104 -17.660  -9.239
  378    H6     C  35           H6         C  35  -1.022 -16.513  -9.827
  379   1H5*    U  36          1H5*        U  36   6.361 -19.742  -8.682
  380   2H5*    U  36          2H5*        U  36   5.354 -21.203  -8.651
  381    H4*    U  36           H4*        U  36   6.403 -19.647  -6.449
  382    H3*    U  36           H3*        U  36   5.044 -22.309  -6.790
  383    H2*    U  36           H2*        U  36   4.224 -22.312  -4.616
  384   2HO*    U  36          2HO*        U  36   5.223 -20.820  -3.019
  385    H1*    U  36           H1*        U  36   3.966 -19.552  -4.205
  386    H3     U  36           H3         U  36  -0.145 -21.501  -3.619
  387    H5     U  36           H5         U  36   0.262 -20.914  -7.774
  388    H6     U  36           H6         U  36   2.585 -20.324  -7.395
  389   1H5*    A  37          1H5*        A  37   8.060 -24.794  -2.949
  390   2H5*    A  37          2H5*        A  37   7.072 -25.751  -4.071
  391    H4*    A  37           H4*        A  37   6.441 -24.738  -1.345
  392    H3*    A  37           H3*        A  37   6.562 -27.273  -2.479
  393    H2*    A  37           H2*        A  37   4.592 -27.221  -3.741
  394   2HO*    A  37          2HO*        A  37   3.101 -28.310  -2.645
  395    H1*    A  37           H1*        A  37   3.139 -25.454  -1.806
  396    H8     A  37           H8         A  37   4.439 -25.220  -5.481
  397   1H6     A  37          1H6         A  37  -1.459 -24.067  -6.908
  398   2H6     A  37          2H6         A  37   0.167 -24.232  -7.534
  399    H2     A  37           H2         A  37  -1.220 -24.762  -2.475
  400   1H5*    A  38          1H5*        A  38   7.771 -27.717   2.683
  401   2H5*    A  38          2H5*        A  38   7.155 -29.375   2.841
  402    H4*    A  38           H4*        A  38   6.628 -27.830   4.773
  403    H3*    A  38           H3*        A  38   4.545 -29.382   3.276
  404    H2*    A  38           H2*        A  38   2.762 -28.270   4.270
  405   2HO*    A  38          2HO*        A  38   4.154 -27.005   6.307
  406    H1*    A  38           H1*        A  38   3.918 -25.776   4.719
  407    H8     A  38           H8         A  38   4.744 -26.285   1.195
  408   1H6     A  38          1H6         A  38  -1.149 -25.154  -0.270
  409   2H6     A  38          2H6         A  38   0.479 -25.324  -0.887
  410    H2     A  38           H2         A  38  -0.932 -25.814   4.171
  411   1H5*    G  39          1H5*        G  39   2.821 -32.309   6.674
  412   2H5*    G  39          2H5*        G  39   2.394 -33.145   5.169
  413    H4*    G  39           H4*        G  39   0.722 -31.575   6.849
  414    H3*    G  39           H3*        G  39   0.383 -33.120   4.302
  415    H2*    G  39           H2*        G  39  -1.475 -31.895   3.607
  416   2HO*    G  39          2HO*        G  39  -2.597 -30.511   5.201
  417    H1*    G  39           H1*        G  39  -0.836 -29.408   4.603
  418    H8     G  39           H8         G  39   2.371 -30.495   3.126
  419    H1     G  39           H1         G  39  -1.933 -29.078  -1.397
  420   1H2     G  39          1H2         G  39  -3.953 -28.905  -0.494
  421   2H2     G  39          2H2         G  39  -4.242 -29.136   1.216
  422   1H5*    U  40          1H5*        U  40  -3.510 -33.581   5.841
  423   2H5*    U  40          2H5*        U  40  -3.832 -35.314   6.055
  424    H4*    U  40           H4*        U  40  -5.601 -34.321   4.725
  425    H3*    U  40           H3*        U  40  -3.757 -36.251   3.359
  426    H2*    U  40           H2*        U  40  -4.587 -35.785   1.228
  427   2HO*    U  40          2HO*        U  40  -6.635 -35.132   0.846
  428    H1*    U  40           H1*        U  40  -5.160 -33.104   1.495
  429    H3     U  40           H3         U  40  -1.745 -33.194  -1.492
  430    H5     U  40           H5         U  40   0.101 -33.888   2.234
  431    H6     U  40           H6         U  40  -2.106 -34.031   3.228
  432   1H5*    C  41          1H5*        C  41  -7.158 -36.757   1.934
  433   2H5*    C  41          2H5*        C  41  -8.058 -38.288   1.963
  434    H4*    C  41           H4*        C  41  -8.078 -37.579  -0.298
  435    H3*    C  41           H3*        C  41  -6.017 -39.728   0.200
  436    H2*    C  41           H2*        C  41  -5.223 -39.557  -1.982
  437   2HO*    C  41          2HO*        C  41  -6.476 -38.911  -3.690
  438    H1*    C  41           H1*        C  41  -5.786 -36.836  -2.424
  439   1H4     C  41          1H4         C  41   0.539 -37.080  -1.872
  440   2H4     C  41          2H4         C  41   0.414 -37.451  -0.167
  441    H5     C  41           H5         C  41  -1.689 -37.788   0.961
  442    H6     C  41           H6         C  41  -4.125 -37.858   0.694
  443   1H5*    C  42          1H5*        C  42  -8.511 -40.276  -3.387
  444   2H5*    C  42          2H5*        C  42  -9.145 -41.933  -3.412
  445    H4*    C  42           H4*        C  42  -8.423 -41.369  -5.638
  446    H3*    C  42           H3*        C  42  -6.616 -43.307  -4.190
  447    H2*    C  42           H2*        C  42  -5.126 -43.341  -6.009
  448   2HO*    C  42          2HO*        C  42  -6.581 -41.826  -7.791
  449    H1*    C  42           H1*        C  42  -5.287 -40.683  -6.712
  450   1H4     C  42          1H4         C  42  -0.096 -40.970  -3.043
  451   2H4     C  42          2H4         C  42  -1.081 -41.172  -1.613
  452    H5     C  42           H5         C  42  -3.475 -41.373  -1.676
  453    H6     C  42           H6         C  42  -5.451 -41.426  -3.123
  454   1H5*    U  43          1H5*        U  43  -6.582 -44.133  -8.029
  455   2H5*    U  43          2H5*        U  43  -6.801 -45.849  -8.425
  456    H4*    U  43           H4*        U  43  -4.722 -44.825  -9.382
  457    H3*    U  43           H3*        U  43  -4.622 -47.207  -7.565
  458    H2*    U  43           H2*        U  43  -2.398 -46.954  -7.126
  459   2HO*    U  43          2HO*        U  43  -2.112 -47.583  -9.424
  460    H1*    U  43           H1*        U  43  -2.113 -44.367  -8.528
  461    H3     U  43           H3         U  43   1.199 -43.992  -5.487
  462    H5     U  43           H5         U  43  -2.323 -44.103  -3.165
  463    H6     U  43           H6         U  43  -3.554 -44.615  -5.194
  464    H3T    U  43           H3T        U  43  -3.656 -46.870 -10.209
  465   1H5*    G  44          1H5*        G  44  -4.062  45.646  -3.309
  466   2H5*    G  44          2H5*        G  44  -4.413  43.945  -3.678
  467    H4*    G  44           H4*        G  44  -3.565  45.054  -5.665
  468    H3*    G  44           H3*        G  44  -1.908  42.914  -4.405
  469    H2*    G  44           H2*        G  44   0.026  43.389  -5.624
  470   2HO*    G  44          2HO*        G  44  -0.094  44.730  -7.549
  471    H1*    G  44           H1*        G  44  -0.117  46.107  -5.784
  472    H8     G  44           H8         G  44  -1.294  45.461  -2.320
  473    H1     G  44           H1         G  44   5.014  44.523  -2.905
  474   1H2     G  44          1H2         G  44   5.579  44.480  -5.049
  475   2H2     G  44          2H2         G  44   4.409  44.683  -6.334
  476    H5T    G  44           H5T        G  44  -3.031  43.390  -2.228
  477   1H5*    G  45          1H5*        G  45  -0.730  42.754  -8.057
  478   2H5*    G  45          2H5*        G  45  -0.902  41.166  -8.831
  479    H4*    G  45           H4*        G  45   1.414  42.017  -8.951
  480    H3*    G  45           H3*        G  45   0.888  39.503  -7.363
  481    H2*    G  45           H2*        G  45   3.100  39.418  -6.650
  482   2HO*    G  45          2HO*        G  45   3.788  41.053  -8.882
  483    H1*    G  45           H1*        G  45   3.694  42.193  -6.820
  484    H8     G  45           H8         G  45   0.756  41.593  -4.553
  485    H1     G  45           H1         G  45   6.385  40.464  -1.712
  486   1H2     G  45          1H2         G  45   8.005  40.448  -3.219
  487   2H2     G  45          2H2         G  45   7.707  40.707  -4.923
  488   1H5*    G  46          1H5*        G  46   3.890  38.480  -9.689
  489   2H5*    G  46          2H5*        G  46   3.736  37.034 -10.708
  490    H4*    G  46           H4*        G  46   5.687  36.707  -9.393
  491    H3*    G  46           H3*        G  46   3.320  35.145  -8.366
  492    H2*    G  46           H2*        G  46   4.508  34.434  -6.496
  493   2HO*    G  46          2HO*        G  46   6.997  35.142  -7.645
  494    H1*    G  46           H1*        G  46   6.268  36.631  -6.252
  495    H8     G  46           H8         G  46   2.485  37.324  -6.385
  496    H1     G  46           H1         G  46   4.842  36.398  -0.503
  497   1H2     G  46          1H2         G  46   6.957  35.750  -0.633
  498   2H2     G  46          2H2         G  46   7.787  35.545  -2.157
  499   1H5*    A  47          1H5*        A  47   6.928  33.183  -8.624
  500   2H5*    A  47          2H5*        A  47   7.006  31.563  -9.347
  501    H4*    A  47           H4*        A  47   8.309  31.585  -7.307
  502    H3*    A  47           H3*        A  47   5.730  30.027  -7.192
  503    H2*    A  47           H2*        A  47   6.012  29.587  -4.920
  504   2HO*    A  47          2HO*        A  47   8.704  29.732  -5.606
  505    H1*    A  47           H1*        A  47   7.406  31.914  -4.201
  506    H8     A  47           H8         A  47   4.127  32.288  -6.190
  507   1H6     A  47          1H6         A  47   1.377  32.850  -0.693
  508   2H6     A  47          2H6         A  47   1.161  32.940  -2.427
  509    H2     A  47           H2         A  47   5.687  31.789   0.022
  510   1H5*    U  48          1H5*        U  48   8.772  27.435  -5.575
  511   2H5*    U  48          2H5*        U  48   8.336  25.733  -5.824
  512    H4*    U  48           H4*        U  48   8.476  26.581  -3.402
  513    H3*    U  48           H3*        U  48   6.163  25.033  -4.545
  514    H2*    U  48           H2*        U  48   4.848  25.383  -2.670
  515   2HO*    U  48          2HO*        U  48   7.321  25.282  -1.382
  516    H1*    U  48           H1*        U  48   6.042  27.777  -1.720
  517    H3     U  48           H3         U  48   1.687  28.944  -1.933
  518    H5     U  48           H5         U  48   2.814  28.489  -5.970
  519    H6     U  48           H6         U  48   4.957  27.647  -5.206
  520   1H5*    A  49          1H5*        A  49   8.930  22.313  -0.115
  521   2H5*    A  49          2H5*        A  49   7.743  21.170  -0.775
  522    H4*    A  49           H4*        A  49   7.724  22.675   1.815
  523    H3*    A  49           H3*        A  49   7.815  19.918   1.069
  524    H2*    A  49           H2*        A  49   5.539  19.531   0.930
  525   2HO*    A  49          2HO*        A  49   4.810  18.816   2.812
  526    H1*    A  49           H1*        A  49   4.843  21.824   2.739
  527    H8     A  49           H8         A  49   4.319  21.136  -1.052
  528   1H6     A  49          1H6         A  49  -1.705  21.171   0.327
  529   2H6     A  49          2H6         A  49  -0.528  21.042  -0.958
  530    H2     A  49           H2         A  49   0.593  21.667   4.153
  531   1H5*    U  50          1H5*        U  50   7.142  22.686   6.588
  532   2H5*    U  50          2H5*        U  50   8.180  21.544   7.464
  533    H4*    U  50           H4*        U  50   6.407  20.429   8.246
  534    H3*    U  50           H3*        U  50   6.151  19.620   5.626
  535    H2*    U  50           H2*        U  50   4.642  21.228   4.845
  536   2HO*    U  50          2HO*        U  50   2.416  20.504   5.402
  537    H1*    U  50           H1*        U  50   3.152  21.494   7.417
  538    H3     U  50           H3         U  50   4.080  26.303   6.962
  539    H5     U  50           H5         U  50   2.337  24.567   3.538
  540    H6     U  50           H6         U  50   2.811  22.384   4.484
  541   1H5*    G  51          1H5*        G  51   2.505  19.105   6.490
  542   2H5*    G  51          2H5*        G  51   1.847  18.437   7.998
  543    H4*    G  51           H4*        G  51  -0.022  17.893   6.910
  544    H3*    G  51           H3*        G  51   1.879  16.051   5.510
  545    H2*    G  51           H2*        G  51   0.537  15.809   3.620
  546   2HO*    G  51          2HO*        G  51  -1.446  16.051   5.468
  547    H1*    G  51           H1*        G  51  -0.616  18.312   3.499
  548    H8     G  51           H8         G  51   3.036  18.818   4.223
  549    H1     G  51           H1         G  51   1.895  17.441  -1.921
  550   1H2     G  51          1H2         G  51  -0.202  16.775  -2.172
  551   2H2     G  51          2H2         G  51  -1.319  16.667  -0.835
  552   1H5*    G  52          1H5*        G  52   1.569  11.697   5.485
  553   2H5*    G  52          2H5*        G  52   2.715  12.451   4.359
  554    H4*    G  52           H4*        G  52  -0.140  11.638   3.934
  555    H3*    G  52           H3*        G  52   2.482  11.197   2.569
  556    H2*    G  52           H2*        G  52   1.658  11.553   0.412
  557   2HO*    G  52          2HO*        G  52  -0.341  10.190   1.184
  558    H1*    G  52           H1*        G  52  -0.135  13.542   0.866
  559    H8     G  52           H8         G  52   2.462  14.740   3.120
  560    H1     G  52           H1         G  52   4.445  15.107  -2.956
  561   1H2     G  52          1H2         G  52   3.104  13.900  -4.265
  562   2H2     G  52          2H2         G  52   1.731  13.015  -3.642
  563   1H5*    A  53          1H5*        A  53  -0.052   8.477   0.627
  564   2H5*    A  53          2H5*        A  53   0.448   6.792   0.880
  565    H4*    A  53           H4*        A  53   0.029   7.182  -1.483
  566    H3*    A  53           H3*        A  53   2.880   6.689  -0.659
  567    H2*    A  53           H2*        A  53   3.691   7.125  -2.819
  568   2HO*    A  53          2HO*        A  53   1.013   6.965  -3.780
  569    H1*    A  53           H1*        A  53   2.030   9.189  -3.509
  570    H8     A  53           H8         A  53   2.892   9.772   0.096
  571   1H6     A  53          1H6         A  53   8.168  12.328  -1.856
  572   2H6     A  53          2H6         A  53   7.104  12.092  -0.487
  573    H2     A  53           H2         A  53   6.253  10.258  -5.358
  574   1H5*    A  54          1H5*        A  54   2.667   5.042  -3.840
  575   2H5*    A  54          2H5*        A  54   2.951   3.308  -4.094
  576    H4*    A  54           H4*        A  54   4.413   4.377  -5.602
  577    H3*    A  54           H3*        A  54   5.899   3.589  -3.088
  578    H2*    A  54           H2*        A  54   7.825   4.621  -3.875
  579   2HO*    A  54          2HO*        A  54   8.339   3.969  -5.810
  580    H1*    A  54           H1*        A  54   6.606   6.616  -5.450
  581    H8     A  54           H8         A  54   5.488   6.464  -1.794
  582   1H6     A  54          1H6         A  54  10.282  10.145  -0.552
  583   2H6     A  54          2H6         A  54   8.863   9.364   0.099
  584    H2     A  54           H2         A  54  10.590   8.886  -4.859
  585   1H5*    G  55          1H5*        G  55   7.978   1.829  -6.923
  586   2H5*    G  55          2H5*        G  55   8.814   0.371  -6.352
  587    H4*    G  55           H4*        G  55  10.251   1.978  -7.655
  588    H3*    G  55           H3*        G  55  10.993   1.193  -4.831
  589    H2*    G  55           H2*        G  55  12.879   2.617  -4.911
  590   2HO*    G  55          2HO*        G  55  12.716   2.074  -7.592
  591    H1*    G  55           H1*        G  55  11.727   4.700  -6.262
  592    H8     G  55           H8         G  55   9.372   3.115  -3.705
  593    H1     G  55           H1         G  55  13.330   7.488  -1.255
  594   1H2     G  55          1H2         G  55  14.867   8.053  -2.752
  595   2H2     G  55          2H2         G  55  14.911   7.355  -4.355
  596   1H5*    A  56          1H5*        A  56  14.154   1.243  -6.502
  597   2H5*    A  56          2H5*        A  56  15.109  -0.223  -6.799
  598    H4*    A  56           H4*        A  56  16.714   1.154  -5.876
  599    H3*    A  56           H3*        A  56  15.427  -0.332  -3.579
  600    H2*    A  56           H2*        A  56  16.658   0.920  -2.041
  601   2HO*    A  56          2HO*        A  56  18.519   0.853  -4.052
  602    H1*    A  56           H1*        A  56  16.858   3.299  -3.530
  603    H8     A  56           H8         A  56  13.380   1.720  -2.994
  604   1H6     A  56          1H6         A  56  12.950   5.459   1.903
  605   2H6     A  56          2H6         A  56  12.100   4.316   0.889
  606    H2     A  56           H2         A  56  17.117   5.811   0.258
  607   1H5*    A  57          1H5*        A  57  19.788  -0.334  -2.957
  608   2H5*    A  57          2H5*        A  57  20.229  -2.017  -2.602
  609    H4*    A  57           H4*        A  57  21.230  -0.572  -0.940
  610    H3*    A  57           H3*        A  57  18.913  -2.228   0.079
  611    H2*    A  57           H2*        A  57  19.173  -1.268   2.212
  612   2HO*    A  57          2HO*        A  57  21.793  -0.941   1.349
  613    H1*    A  57           H1*        A  57  19.854   1.294   1.389
  614    H8     A  57           H8         A  57  16.938  -0.489  -0.409
  615   1H6     A  57          1H6         A  57  13.273   2.311   3.692
  616   2H6     A  57          2H6         A  57  13.329   1.316   2.255
  617    H2     A  57           H2         A  57  17.538   3.175   4.835
  618   1H5*    C  58          1H5*        C  58  21.799  -2.776   2.949
  619   2H5*    C  58          2H5*        C  58  22.005  -4.495   3.343
  620    H4*    C  58           H4*        C  58  21.539  -3.308   5.383
  621    H3*    C  58           H3*        C  58  19.165  -4.909   4.391
  622    H2*    C  58           H2*        C  58  17.927  -4.159   6.226
  623   2HO*    C  58          2HO*        C  58  19.228  -3.088   8.022
  624    H1*    C  58           H1*        C  58  19.223  -1.661   6.532
  625   1H4     C  58          1H4         C  58  13.401  -0.209   4.429
  626   2H4     C  58          2H4         C  58  13.739  -0.943   2.878
  627    H5     C  58           H5         C  58  15.808  -2.059   2.366
  628    H6     C  58           H6         C  58  17.984  -2.766   3.245
  629   1H5*    C  59          1H5*        C  59  19.797  -5.251   8.453
  630   2H5*    C  59          2H5*        C  59  19.485  -6.869   9.114
  631    H4*    C  59           H4*        C  59  18.185  -5.085  10.256
  632    H3*    C  59           H3*        C  59  16.668  -7.224   8.743
  633    H2*    C  59           H2*        C  59  14.655  -6.196   9.309
  634   2HO*    C  59          2HO*        C  59  15.890  -4.672  11.355
  635    H1*    C  59           H1*        C  59  15.646  -3.543   9.519
  636   1H4     C  59          1H4         C  59  11.820  -3.488   4.444
  637   2H4     C  59          2H4         C  59  12.917  -4.523   3.555
  638    H5     C  59           H5         C  59  14.946  -5.425   4.505
  639    H6     C  59           H6         C  59  16.316  -5.587   6.531
  640   1H5*    G  60          1H5*        G  60  15.872  -7.097  13.494
  641   2H5*    G  60          2H5*        G  60  15.526  -8.799  13.864
  642    H4*    G  60           H4*        G  60  13.976  -7.279  15.027
  643    H3*    G  60           H3*        G  60  12.826  -9.120  12.926
  644    H2*    G  60           H2*        G  60  10.685  -8.212  13.255
  645   2HO*    G  60          2HO*        G  60  11.487  -6.763  15.543
  646    H1*    G  60           H1*        G  60  11.427  -5.581  13.677
  647    H8     G  60           H8         G  60  13.389  -7.100  10.813
  648    H1     G  60           H1         G  60   7.567  -5.068   9.101
  649   1H2     G  60          1H2         G  60   6.383  -4.537  10.911
  650   2H2     G  60          2H2         G  60   7.025  -4.690  12.531
  651   1H5*    G  61          1H5*        G  61   9.803  -8.925  15.257
  652   2H5*    G  61          2H5*        G  61   9.721 -10.424  16.203
  653    H4*    G  61           H4*        G  61   7.522 -10.209  15.535
  654    H3*    G  61           H3*        G  61   8.914 -11.832  13.397
  655    H2*    G  61           H2*        G  61   6.982 -11.811  12.091
  656   2HO*    G  61          2HO*        G  61   4.935 -11.052  13.305
  657    H1*    G  61           H1*        G  61   5.942  -9.335  12.974
  658    H8     G  61           H8         G  61   9.528  -9.205  11.683
  659    H1     G  61           H1         G  61   5.104  -8.757   7.084
  660   1H2     G  61          1H2         G  61   3.087  -9.155   7.924
  661   2H2     G  61          2H2         G  61   2.833  -9.541   9.610
  662   1H5*    G  62          1H5*        G  62   5.006 -13.048  13.803
  663   2H5*    G  62          2H5*        G  62   4.985 -14.730  14.367
  664    H4*    G  62           H4*        G  62   3.350 -14.619  12.660
  665    H3*    G  62           H3*        G  62   5.931 -15.798  11.615
  666    H2*    G  62           H2*        G  62   5.028 -15.933   9.470
  667   2HO*    G  62          2HO*        G  62   2.379 -15.436  10.134
  668    H1*    G  62           H1*        G  62   3.285 -13.719   9.638
  669    H8     G  62           H8         G  62   7.025 -13.320  10.502
  670    H1     G  62           H1         G  62   5.560 -12.167   4.378
  671   1H2     G  62          1H2         G  62   3.425 -12.642   4.001
  672   2H2     G  62          2H2         G  62   2.362 -13.244   5.256
  673   1H5*    G  63          1H5*        G  63   3.511 -19.714  10.665
  674   2H5*    G  63          2H5*        G  63   4.339 -18.146  10.566
  675    H4*    G  63           H4*        G  63   2.094 -18.673   8.659
  676    H3*    G  63           H3*        G  63   4.755 -20.088   8.550
  677    H2*    G  63           H2*        G  63   5.002 -19.590   6.274
  678   2HO*    G  63          2HO*        G  63   2.287 -19.755   6.319
  679    H1*    G  63           H1*        G  63   3.856 -17.072   6.267
  680    H8     G  63           H8         G  63   6.219 -17.766   9.214
  681    H1     G  63           H1         G  63   9.149 -15.664   3.927
  682   1H2     G  63          1H2         G  63   7.706 -15.519   2.270
  683   2H2     G  63          2H2         G  63   6.024 -15.959   2.448
  684   1H5*    A  64          1H5*        A  64   5.960 -23.295   7.783
  685   2H5*    A  64          2H5*        A  64   6.608 -21.732   7.247
  686    H4*    A  64           H4*        A  64   7.422 -23.957   6.115
  687    H3*    A  64           H3*        A  64   6.852 -21.312   4.845
  688    H2*    A  64           H2*        A  64   6.855 -22.146   2.653
  689   2HO*    A  64          2HO*        A  64   7.955 -23.926   2.042
  690    H1*    A  64           H1*        A  64   5.634 -24.543   3.037
  691    H8     A  64           H8         A  64   4.130 -21.864   5.311
  692   1H6     A  64          1H6         A  64   0.292 -20.587   0.656
  693   2H6     A  64          2H6         A  64   0.670 -20.281   2.337
  694    H2     A  64           H2         A  64   3.371 -23.482  -0.863
  695   1H5*    A  65          1H5*        A  65  10.068 -19.215   2.097
  696   2H5*    A  65          2H5*        A  65   8.463 -19.008   2.826
  697    H4*    A  65           H4*        A  65   9.156 -20.324   0.184
  698    H3*    A  65           H3*        A  65   7.767 -17.779   0.962
  699    H2*    A  65           H2*        A  65   5.997 -18.110  -0.526
  700   2HO*    A  65          2HO*        A  65   6.760 -18.563  -2.454
  701    H1*    A  65           H1*        A  65   5.764 -20.845  -0.410
  702    H8     A  65           H8         A  65   6.096 -20.164   3.155
  703   1H6     A  65          1H6         A  65   0.335 -17.946   3.183
  704   2H6     A  65          2H6         A  65   1.662 -18.514   4.172
  705    H2     A  65           H2         A  65   1.692 -18.219  -1.094
  706   1H5*    A  66          1H5*        A  66   8.746 -15.254  -3.776
  707   2H5*    A  66          2H5*        A  66   8.259 -14.239  -2.405
  708    H4*    A  66           H4*        A  66   6.780 -14.848  -4.751
  709    H3*    A  66           H3*        A  66   6.330 -13.212  -2.285
  710    H2*    A  66           H2*        A  66   3.987 -13.332  -2.410
  711   2HO*    A  66          2HO*        A  66   2.891 -13.704  -4.268
  712    H1*    A  66           H1*        A  66   3.679 -15.902  -3.154
  713    H8     A  66           H8         A  66   6.746 -15.588  -0.914
  714   1H6     A  66          1H6         A  66   2.895 -16.294   3.860
  715   2H6     A  66          2H6         A  66   4.577 -16.224   3.369
  716    H2     A  66           H2         A  66   0.411 -15.815   0.125
  717   1H5*    C  67          1H5*        C  67   4.120 -11.152  -4.367
  718   2H5*    C  67          2H5*        C  67   4.152  -9.391  -4.139
  719    H4*    C  67           H4*        C  67   2.174 -10.553  -3.104
  720    H3*    C  67           H3*        C  67   4.059  -8.899  -1.421
  721    H2*    C  67           H2*        C  67   2.845  -9.430   0.520
  722   2HO*    C  67          2HO*        C  67   0.733 -10.713   0.023
  723    H1*    C  67           H1*        C  67   2.233 -12.050  -0.095
  724   1H4     C  67          1H4         C  67   7.343 -12.334   3.708
  725   2H4     C  67          2H4         C  67   8.388 -11.913   2.369
  726    H5     C  67           H5         C  67   7.561 -11.372   0.172
  727    H6     C  67           H6         C  67   5.558 -11.077  -1.207
  728   1H5*    U  68          1H5*        U  68   0.635  -8.200  -0.076
  729   2H5*    U  68          2H5*        U  68   0.063  -6.523   0.029
  730    H4*    U  68           H4*        U  68  -0.184  -7.596   2.190
  731    H3*    U  68           H3*        U  68   2.019  -5.526   2.053
  732    H2*    U  68           H2*        U  68   2.527  -5.929   4.313
  733   2HO*    U  68          2HO*        U  68  -0.157  -6.654   4.404
  734    H1*    U  68           H1*        U  68   1.957  -8.669   4.332
  735    H3     U  68           H3         U  68   6.381  -8.372   5.351
  736    H5     U  68           H5         U  68   6.198  -7.703   1.193
  737    H6     U  68           H6         U  68   3.781  -7.652   1.372
  738   1H5*    U  69          1H5*        U  69   0.251  -5.011   5.176
  739   2H5*    U  69          2H5*        U  69  -0.652  -3.539   5.581
  740    H4*    U  69           H4*        U  69   0.615  -3.815   7.493
  741    H3*    U  69           H3*        U  69   2.294  -2.127   5.620
  742    H2*    U  69           H2*        U  69   4.020  -2.152   7.189
  743   2HO*    U  69          2HO*        U  69   2.754  -3.214   9.363
  744    H1*    U  69           H1*        U  69   3.463  -4.686   8.307
  745    H3     U  69           H3         U  69   7.709  -5.327   6.931
  746    H5     U  69           H5         U  69   5.626  -4.572   3.350
  747    H6     U  69           H6         U  69   3.644  -4.124   4.670
  748   1H5*    G  70          1H5*        G  70   2.389  -0.708   9.310
  749   2H5*    G  70          2H5*        G  70   2.539   1.042   9.558
  750    H4*    G  70           H4*        G  70   4.431  -0.119  10.562
  751    H3*    G  70           H3*        G  70   5.141   1.469   8.074
  752    H2*    G  70           H2*        G  70   7.364   0.823   8.382
  753   2HO*    G  70          2HO*        G  70   7.312  -0.235  10.885
  754    H1*    G  70           H1*        G  70   6.797  -1.639   9.699
  755    H8     G  70           H8         G  70   5.480  -0.947   6.130
  756    H1     G  70           H1         G  70  11.196  -3.816   6.446
  757   1H2     G  70          1H2         G  70  11.869  -3.915   8.561
  758   2H2     G  70          2H2         G  70  10.912  -3.276   9.879
  759   1H5*    G  71          1H5*        G  71   7.155   3.354  12.010
  760   2H5*    G  71          2H5*        G  71   7.299   5.072  11.588
  761    H4*    G  71           H4*        G  71   9.386   4.209  12.561
  762    H3*    G  71           H3*        G  71   9.465   5.039   9.654
  763    H2*    G  71           H2*        G  71  11.726   4.416   9.518
  764   2HO*    G  71          2HO*        G  71  11.812   4.201  12.357
  765    H1*    G  71           H1*        G  71  11.610   2.174  11.129
  766    H8     G  71           H8         G  71   8.673   2.527   8.697
  767    H1     G  71           H1         G  71  13.871  -0.192   6.137
  768   1H2     G  71          1H2         G  71  15.549  -0.126   7.589
  769   2H2     G  71          2H2         G  71  15.401   0.615   9.165
  770   1H5*    U  72          1H5*        U  72  12.790   7.384  11.987
  771   2H5*    U  72          2H5*        U  72  12.663   9.007  11.282
  772    H4*    U  72           H4*        U  72  15.001   8.212  11.384
  773    H3*    U  72           H3*        U  72  13.766   8.714   8.676
  774    H2*    U  72           H2*        U  72  15.709   7.971   7.596
  775   2HO*    U  72          2HO*        U  72  17.102   8.184  10.073
  776    H1*    U  72           H1*        U  72  16.450   5.981   9.384
  777    H3     U  72           H3         U  72  15.481   3.742   5.544
  778    H5     U  72           H5         U  72  11.719   4.812   7.122
  779    H6     U  72           H6         U  72  12.870   6.134   8.800
  780   1H5*    U  73          1H5*        U  73  17.538  10.116   8.437
  781   2H5*    U  73          2H5*        U  73  17.586  11.860   8.100
  782    H4*    U  73           H4*        U  73  19.122  10.884   6.587
  783    H3*    U  73           H3*        U  73  16.482  11.452   5.222
  784    H2*    U  73           H2*        U  73  17.346  10.571   3.211
  785   2HO*    U  73          2HO*        U  73  19.740  11.340   4.323
  786    H1*    U  73           H1*        U  73  18.702   8.448   4.304
  787    H3     U  73           H3         U  73  15.267   6.375   2.248
  788    H5     U  73           H5         U  73  13.428   8.378   5.469
  789    H6     U  73           H6         U  73  15.570   9.408   5.963
  790   1H5*    C  74          1H5*        C  74  19.603  12.297   2.616
  791   2H5*    C  74          2H5*        C  74  19.284  13.798   1.724
  792    H4*    C  74           H4*        C  74  19.724  11.900   0.213
  793    H3*    C  74           H3*        C  74  16.893  12.996   0.136
  794    H2*    C  74           H2*        C  74  16.481  11.493  -1.650
  795   2HO*    C  74          2HO*        C  74  18.215  11.762  -2.962
  796    H1*    C  74           H1*        C  74  17.965   9.383  -0.617
  797   1H4     C  74          1H4         C  74  12.009   7.859   0.973
  798   2H4     C  74          2H4         C  74  11.962   9.132   2.176
  799    H5     C  74           H5         C  74  13.761  10.712   2.499
  800    H6     C  74           H6         C  74  15.988  11.402   1.742
  801   1H5*    U  75          1H5*        U  75  18.565  13.640  -3.491
  802   2H5*    U  75          2H5*        U  75  17.908  14.840  -4.623
  803    H4*    U  75           H4*        U  75  17.388  12.485  -5.257
  804    H3*    U  75           H3*        U  75  15.093  14.353  -4.614
  805    H2*    U  75           H2*        U  75  13.587  12.624  -5.055
  806   2HO*    U  75          2HO*        U  75  15.636  11.732  -6.745
  807    H1*    U  75           H1*        U  75  15.264  10.484  -4.273
  808    H3     U  75           H3         U  75  11.502   9.987  -1.802
  809    H5     U  75           H5         U  75  13.509  13.235  -0.016
  810    H6     U  75           H6         U  75  15.081  13.189  -1.866
  811   1H5*    U  76          1H5*        U  76  14.593  12.987  -8.547
  812   2H5*    U  76          2H5*        U  76  14.055  14.186  -9.739
  813    H4*    U  76           H4*        U  76  12.549  12.268  -9.736
  814    H3*    U  76           H3*        U  76  11.435  14.867  -8.693
  815    H2*    U  76           H2*        U  76   9.464  13.853  -8.010
  816   2HO*    U  76          2HO*        U  76   9.654  11.489  -9.422
  817    H1*    U  76           H1*        U  76  10.439  11.204  -7.665
  818    H3     U  76           H3         U  76   8.485  11.895  -3.662
  819    H5     U  76           H5         U  76  11.733  14.577  -3.674
  820    H6     U  76           H6         U  76  12.139  13.975  -5.990
  821   1H5*    C  77          1H5*        C  77   7.234  15.616 -11.677
  822   2H5*    C  77          2H5*        C  77   7.458  15.981  -9.954
  823    H4*    C  77           H4*        C  77   6.014  13.591 -11.148
  824    H3*    C  77           H3*        C  77   5.083  16.143  -9.895
  825    H2*    C  77           H2*        C  77   3.651  15.110  -8.390
  826   2HO*    C  77          2HO*        C  77   2.328  13.700  -9.183
  827    H1*    C  77           H1*        C  77   4.938  12.663  -8.041
  828   1H4     C  77          1H4         C  77   6.055  16.019  -2.732
  829   2H4     C  77          2H4         C  77   7.479  16.705  -3.482
  830    H5     C  77           H5         C  77   8.058  16.341  -5.790
  831    H6     C  77           H6         C  77   7.408  15.232  -7.877
  832   1H5*    C  78          1H5*        C  78   0.761  17.389 -10.697
  833   2H5*    C  78          2H5*        C  78   1.621  18.179  -9.360
  834    H4*    C  78           H4*        C  78  -0.240  15.817  -9.304
  835    H3*    C  78           H3*        C  78  -0.089  18.491  -7.989
  836    H2*    C  78           H2*        C  78  -0.520  17.716  -5.848
  837   2HO*    C  78          2HO*        C  78  -2.463  16.707  -6.286
  838    H1*    C  78           H1*        C  78   0.493  15.128  -5.999
  839   1H4     C  78          1H4         C  78   4.636  18.647  -2.623
  840   2H4     C  78          2H4         C  78   5.581  18.848  -4.081
  841    H5     C  78           H5         C  78   4.836  18.114  -6.250
  842    H6     C  78           H6         C  78   3.027  17.021  -7.490
  843   1H5*    U  79          1H5*        U  79  -2.771  21.540  -9.098
  844   2H5*    U  79          2H5*        U  79  -1.416  21.792  -7.979
  845    H4*    U  79           H4*        U  79  -3.975  20.252  -7.549
  846    H3*    U  79           H3*        U  79  -2.690  22.650  -6.336
  847    H2*    U  79           H2*        U  79  -2.903  21.957  -4.129
  848   2HO*    U  79          2HO*        U  79  -5.265  21.225  -4.915
  849    H1*    U  79           H1*        U  79  -2.703  19.225  -4.387
  850    H3     U  79           H3         U  79   0.859  21.109  -2.057
  851    H5     U  79           H5         U  79   2.054  20.705  -6.078
  852    H6     U  79           H6         U  79  -0.252  20.210  -6.645
  853   1H5*    A  80          1H5*        A  80  -5.541  25.992  -4.456
  854   2H5*    A  80          2H5*        A  80  -3.794  25.821  -4.721
  855    H4*    A  80           H4*        A  80  -5.321  24.980  -2.234
  856    H3*    A  80           H3*        A  80  -4.509  27.550  -2.806
  857    H2*    A  80           H2*        A  80  -2.197  27.256  -2.918
  858   2HO*    A  80          2HO*        A  80  -2.957  28.104  -0.603
  859    H1*    A  80           H1*        A  80  -2.047  25.094  -0.876
  860    H8     A  80           H8         A  80  -1.767  24.968  -4.745
  861   1H6     A  80          1H6         A  80   4.202  23.715  -3.763
  862   2H6     A  80          2H6         A  80   2.946  23.878  -4.970
  863    H2     A  80           H2         A  80   2.287  24.539   0.220
  864   1H5*    A  81          1H5*        A  81  -8.134  27.865   1.611
  865   2H5*    A  81          2H5*        A  81  -6.658  28.797   1.286
  866    H4*    A  81           H4*        A  81  -7.550  27.787   3.764
  867    H3*    A  81           H3*        A  81  -5.117  29.233   2.789
  868    H2*    A  81           H2*        A  81  -3.752  28.493   4.522
  869   2HO*    A  81          2HO*        A  81  -6.095  28.648   5.916
  870    H1*    A  81           H1*        A  81  -4.829  25.993   4.990
  871    H8     A  81           H8         A  81  -4.539  26.227   1.278
  872   1H6     A  81          1H6         A  81   1.470  24.932   1.886
  873   2H6     A  81          2H6         A  81   0.140  25.095   0.761
  874    H2     A  81           H2         A  81  -0.172  25.826   5.974
  875   1H5*    G  82          1H5*        G  82  -3.688  32.594   6.415
  876   2H5*    G  82          2H5*        G  82  -3.087  32.079   4.826
  877    H4*    G  82           H4*        G  82  -2.489  30.882   7.540
  878    H3*    G  82           H3*        G  82  -0.912  32.394   5.505
  879    H2*    G  82           H2*        G  82   0.873  30.894   5.455
  880   2HO*    G  82          2HO*        G  82   0.480  30.804   8.024
  881    H1*    G  82           H1*        G  82  -0.427  28.515   5.816
  882    H8     G  82           H8         G  82  -2.717  30.238   3.484
  883    H1     G  82           H1         G  82   2.699  28.462   0.565
  884   1H2     G  82          1H2         G  82   4.219  27.881   2.073
  885   2H2     G  82          2H2         G  82   3.903  27.930   3.793
  886   1H5*    U  83          1H5*        U  83   2.100  32.236   8.782
  887   2H5*    U  83          2H5*        U  83   2.671  33.910   8.925
  888    H4*    U  83           H4*        U  83   4.486  32.238   8.486
  889    H3*    U  83           H3*        U  83   3.993  34.554   6.631
  890    H2*    U  83           H2*        U  83   5.564  33.785   5.075
  891   2HO*    U  83          2HO*        U  83   6.604  32.342   7.275
  892    H1*    U  83           H1*        U  83   5.122  31.081   5.286
  893    H3     U  83           H3         U  83   3.614  32.282   1.153
  894    H5     U  83           H5         U  83   0.503  33.335   3.794
  895    H6     U  83           H6         U  83   1.986  32.820   5.643
  896   1H5*    C  84          1H5*        C  84   8.082  34.452   7.463
  897   2H5*    C  84          2H5*        C  84   8.870  36.008   7.791
  898    H4*    C  84           H4*        C  84   9.974  34.840   5.942
  899    H3*    C  84           H3*        C  84   8.500  37.390   5.280
  900    H2*    C  84           H2*        C  84   9.009  37.144   3.006
  901   2HO*    C  84          2HO*        C  84  10.657  35.629   2.322
  902    H1*    C  84           H1*        C  84   8.865  34.375   2.854
  903   1H4     C  84          1H4         C  84   3.342  36.456   0.462
  904   2H4     C  84          2H4         C  84   2.742  36.780   2.072
  905    H5     C  84           H5         C  84   4.077  36.517   4.057
  906    H6     C  84           H6         C  84   6.282  35.898   4.930
  907   1H5*    C  85          1H5*        C  85  12.247  37.675   3.445
  908   2H5*    C  85          2H5*        C  85  13.115  39.133   3.966
  909    H4*    C  85           H4*        C  85  13.260  39.042   1.582
  910    H3*    C  85           H3*        C  85  11.285  41.092   2.589
  911    H2*    C  85           H2*        C  85  10.663  41.639   0.386
  912   2HO*    C  85          2HO*        C  85  12.604  40.065  -0.862
  913    H1*    C  85           H1*        C  85  10.711  39.111  -0.687
  914   1H4     C  85          1H4         C  85   4.613  39.966   0.940
  915   2H4     C  85          2H4         C  85   5.002  39.710   2.625
  916    H5     C  85           H5         C  85   7.244  39.389   3.428
  917    H6     C  85           H6         C  85   9.606  39.250   2.795
  918   1H5*    U  86          1H5*        U  86  13.016  42.344  -0.659
  919   2H5*    U  86          2H5*        U  86  13.562  44.031  -0.707
  920    H4*    U  86           H4*        U  86  11.966  43.418  -2.536
  921    H3*    U  86           H3*        U  86  11.279  45.597  -0.577
  922    H2*    U  86           H2*        U  86   9.127  45.745  -1.354
  923   2HO*    U  86          2HO*        U  86   9.907  46.424  -3.433
  924    H1*    U  86           H1*        U  86   9.108  43.212  -2.794
  925    H3     U  86           H3         U  86   4.926  43.279  -1.106
  926    H5     U  86           H5         U  86   7.399  42.983   2.299
  927    H6     U  86           H6         U  86   9.317  43.297   0.846
  928    H3T    U  86           H3T        U  86  12.733  46.280  -2.008
  929   1HO1  MN6 101          1HO1      MN6 101   3.058 -44.288  -0.932
  930   2HO1  MN6 101          2HO1      MN6 101   3.822 -43.537   0.213
  931   1HO2  MN6 101          1HO2      MN6 101   2.962 -40.233  -3.557
  932   2HO2  MN6 101          2HO2      MN6 101   4.477 -40.149  -3.164
  933   1HO3  MN6 101          1HO3      MN6 101   1.108 -41.835  -0.552
  934   2HO3  MN6 101          2HO3      MN6 101   1.338 -40.419  -1.183
  935   1HO4  MN6 101          1HO4      MN6 101   5.582 -42.450  -0.813
  936   2HO4  MN6 101          2HO4      MN6 101   5.549 -42.734  -2.354
  937   1HO5  MN6 101          1HO5      MN6 101   4.404 -40.174   0.003
  938   2HO5  MN6 101          2HO5      MN6 101   3.634 -41.266   0.824
  939   1HO6  MN6 101          1HO6      MN6 101   3.193 -42.503  -3.995
  940   2HO6  MN6 101          2HO6      MN6 101   3.209 -43.788  -3.097
  941   1HO1  MN6 102          1HO1      MN6 102   4.726 -27.022  -7.854
  942   2HO1  MN6 102          2HO1      MN6 102   3.848 -28.320  -7.808
  943   1HO2  MN6 102          1HO2      MN6 102   7.268 -30.687 -10.281
  944   2HO2  MN6 102          2HO2      MN6 102   8.313 -29.597  -9.864
  945   1HO3  MN6 102          1HO3      MN6 102   7.218 -27.332  -7.365
  946   2HO3  MN6 102          2HO3      MN6 102   8.250 -27.727  -8.478
  947   1HO4  MN6 102          1HO4      MN6 102   4.986 -29.846 -10.956
  948   2HO4  MN6 102          2HO4      MN6 102   4.168 -28.601 -10.472
  949   1HO5  MN6 102          1HO5      MN6 102   6.843 -27.174 -10.702
  950   2HO5  MN6 102          2HO5      MN6 102   6.543 -26.417  -9.363
  951   1HO6  MN6 102          1HO6      MN6 102   6.934 -30.932  -7.940
  952   2HO6  MN6 102          2HO6      MN6 102   6.048 -30.169  -6.897
  953   1HO1  MN6 103          1HO1      MN6 103 -11.283 -15.383  -2.507
  954   2HO1  MN6 103          2HO1      MN6 103 -11.520 -16.618  -1.571
  955   1HO2  MN6 103          1HO2      MN6 103  -7.111 -16.370   0.066
  956   2HO2  MN6 103          2HO2      MN6 103  -7.273 -14.858   0.447
  957   1HO3  MN6 103          1HO3      MN6 103  -9.250 -16.279  -3.319
  958   2HO3  MN6 103          2HO3      MN6 103  -7.782 -16.354  -2.775
  959   1HO4  MN6 103          1HO4      MN6 103  -9.163 -14.923   1.467
  960   2HO4  MN6 103          2HO4      MN6 103 -10.574 -15.540   1.175
  961   1HO5  MN6 103          1HO5      MN6 103  -9.699 -17.507   0.718
  962   2HO5  MN6 103          2HO5      MN6 103  -8.660 -17.988  -0.354
  963   1HO6  MN6 103          1HO6      MN6 103  -9.470 -13.933  -2.692
  964   2HO6  MN6 103          2HO6      MN6 103  -9.486 -13.172  -1.321
  965   1HO1  MN6 104          1HO1      MN6 104  -9.731  -1.530  -2.129
  966   2HO1  MN6 104          2HO1      MN6 104  -9.287  -0.605  -0.944
  967   1HO2  MN6 104          1HO2      MN6 104 -12.801  -3.683   0.790
  968   2HO2  MN6 104          2HO2      MN6 104 -11.630  -4.123   1.734
  969   1HO3  MN6 104          1HO3      MN6 104 -12.065  -1.229  -1.664
  970   2HO3  MN6 104          2HO3      MN6 104 -13.041  -1.713  -0.537
  971   1HO4  MN6 104          1HO4      MN6 104  -9.309  -3.167   1.940
  972   2HO4  MN6 104          2HO4      MN6 104  -8.398  -3.001   0.675
  973   1HO5  MN6 104          1HO5      MN6 104 -10.638  -1.164   2.238
  974   2HO5  MN6 104          2HO5      MN6 104 -11.204  -0.225   1.118
  975   1HO6  MN6 104          1HO6      MN6 104 -10.231  -4.171  -1.653
  976   2HO6  MN6 104          2HO6      MN6 104 -11.589  -4.535  -0.959
  977   1HO1  MN6 105          1HO1      MN6 105 -11.495  11.481   8.413
  978   2HO1  MN6 105          2HO1      MN6 105 -12.524  12.527   8.966
  979   1HO2  MN6 105          1HO2      MN6 105 -14.235  11.162   4.385
  980   2HO2  MN6 105          2HO2      MN6 105 -15.049  12.399   4.897
  981   1HO3  MN6 105          1HO3      MN6 105 -14.930  12.329   8.431
  982   2HO3  MN6 105          2HO3      MN6 105 -15.016  13.513   7.408
  983   1HO4  MN6 105          1HO4      MN6 105 -12.134  10.165   5.256
  984   2HO4  MN6 105          2HO4      MN6 105 -11.272  11.473   5.224
  985   1HO5  MN6 105          1HO5      MN6 105 -14.098   9.480   6.180
  986   2HO5  MN6 105          2HO5      MN6 105 -15.157  10.209   7.077
  987   1HO6  MN6 105          1HO6      MN6 105 -11.741  13.691   6.055
  988   2HO6  MN6 105          2HO6      MN6 105 -13.212  14.215   5.928
  989   1HO1  MN6 106          1HO1      MN6 106   1.411  42.513  -1.230
  990   2HO1  MN6 106          2HO1      MN6 106   2.561  42.776  -0.198
  991   1HO2  MN6 106          1HO2      MN6 106  -0.778  40.221   2.292
  992   2HO2  MN6 106          2HO2      MN6 106  -0.175  38.919   1.661
  993   1HO3  MN6 106          1HO3      MN6 106  -0.963  39.909  -0.387
  994   2HO3  MN6 106          2HO3      MN6 106   0.011  40.424  -1.502
  995   1HO4  MN6 106          1HO4      MN6 106   3.195  41.241   1.922
  996   2HO4  MN6 106          2HO4      MN6 106   2.061  41.025   2.983
  997   1HO5  MN6 106          1HO5      MN6 106   0.407  43.353   1.080
  998   2HO5  MN6 106          2HO5      MN6 106  -0.440  42.488   2.077
  999   1HO6  MN6 106          1HO6      MN6 106   2.632  39.032   0.721
 1000   2HO6  MN6 106          2HO6      MN6 106   1.364  38.643  -0.114
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.413  32.255  -4.941
 1002   2HO1  MN6 107          2HO1      MN6 107  -2.212  31.013  -4.415
 1003   1HO2  MN6 107          1HO2      MN6 107  -3.155  29.639  -8.938
 1004   2HO2  MN6 107          2HO2      MN6 107  -2.797  31.076  -9.453
 1005   1HO3  MN6 107          1HO3      MN6 107  -2.835  33.018  -8.415
 1006   2HO3  MN6 107          2HO3      MN6 107  -2.611  33.502  -6.941
 1007   1HO4  MN6 107          1HO4      MN6 107  -2.005  28.850  -5.844
 1008   2HO4  MN6 107          2HO4      MN6 107  -3.516  29.253  -5.736
 1009   1HO5  MN6 107          1HO5      MN6 107  -4.670  31.721  -7.788
 1010   2HO5  MN6 107          2HO5      MN6 107  -4.864  30.647  -6.663
 1011   1HO6  MN6 107          1HO6      MN6 107  -0.074  31.720  -7.464
 1012   2HO6  MN6 107          2HO6      MN6 107  -0.147  30.162  -7.629
 1013   1HO1  MN6 108          1HO1      MN6 108   9.848  15.054   1.756
 1014   2HO1  MN6 108          2HO1      MN6 108   9.431  16.336   2.557
 1015   1HO2  MN6 108          1HO2      MN6 108   5.658  13.793   4.345
 1016   2HO2  MN6 108          2HO2      MN6 108   6.263  12.522   3.655
 1017   1HO3  MN6 108          1HO3      MN6 108   9.832  14.658   4.490
 1018   2HO3  MN6 108          2HO3      MN6 108   8.943  13.523   5.102
 1019   1HO4  MN6 108          1HO4      MN6 108   6.180  15.695   1.641
 1020   2HO4  MN6 108          2HO4      MN6 108   6.669  14.405   0.895
 1021   1HO5  MN6 108          1HO5      MN6 108   9.335  12.711   2.150
 1022   2HO5  MN6 108          2HO5      MN6 108   7.928  12.038   2.308
 1023   1HO6  MN6 108          1HO6      MN6 108   6.700  15.760   4.884
 1024   2HO6  MN6 108          2HO6      MN6 108   7.136  16.740   3.741
 1025   1HO1  MN6 109          1HO1      MN6 109   7.350   4.127   2.247
 1026   2HO1  MN6 109          2HO1      MN6 109   6.897   2.813   1.522
 1027   1HO2  MN6 109          1HO2      MN6 109  11.345   0.983   2.111
 1028   2HO2  MN6 109          2HO2      MN6 109  11.770   2.334   1.440
 1029   1HO3  MN6 109          1HO3      MN6 109   8.258   0.918   3.755
 1030   2HO3  MN6 109          2HO3      MN6 109   9.791   0.933   4.081
 1031   1HO4  MN6 109          1HO4      MN6 109   9.380   4.695   1.012
 1032   2HO4  MN6 109          2HO4      MN6 109   9.400   3.551  -0.060
 1033   1HO5  MN6 109          1HO5      MN6 109   9.928   3.607   4.446
 1034   2HO5  MN6 109          2HO5      MN6 109   9.065   4.632   3.634
 1035   1HO6  MN6 109          1HO6      MN6 109   9.207   0.214   1.511
 1036   2HO6  MN6 109          2HO6      MN6 109   7.897   0.962   1.084
 1037   1HO1  MN6 110          1HO1      MN6 110  10.037 -12.969   6.512
 1038   2HO1  MN6 110          2HO1      MN6 110   9.547 -13.808   7.742
 1039   1HO2  MN6 110          1HO2      MN6 110  12.077 -10.459  10.064
 1040   2HO2  MN6 110          2HO2      MN6 110  11.237  -9.312   9.404
 1041   1HO3  MN6 110          1HO3      MN6 110  11.872 -10.352   6.991
 1042   2HO3  MN6 110          2HO3      MN6 110  12.662 -11.524   7.669
 1043   1HO4  MN6 110          1HO4      MN6 110   8.355 -11.415  10.080
 1044   2HO4  MN6 110          2HO4      MN6 110   9.546 -12.046  10.880
 1045   1HO5  MN6 110          1HO5      MN6 110  11.164 -13.845   9.299
 1046   2HO5  MN6 110          2HO5      MN6 110  11.928 -12.790  10.170
 1047   1HO6  MN6 110          1HO6      MN6 110   9.893  -9.421   7.471
 1048   2HO6  MN6 110          2HO6      MN6 110   8.879 -10.500   6.955
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  11.881 -42.619  -5.491
    2   2H5*    G   1          2H5*        G   1  11.749 -40.873  -5.785
    3    H4*    G   1           H4*        G   1  11.629 -42.099  -7.892
    4    H3*    G   1           H3*        G   1   9.191 -40.621  -6.960
    5    H2*    G   1           H2*        G   1   7.811 -41.535  -8.597
    6   2HO*    G   1          2HO*        G   1   8.823 -42.627 -10.472
    7    H1*    G   1           H1*        G   1   8.937 -44.046  -8.849
    8    H8     G   1           H8         G   1   8.684 -43.415  -5.174
    9    H1     G   1           H1         G   1   3.002 -44.770  -7.803
   10   1H2     G   1          1H2         G   1   3.159 -44.719 -10.014
   11   2H2     G   1          2H2         G   1   4.656 -44.352 -10.842
   12    H5T    G   1           H5T        G   1   9.584 -40.984  -5.155
   13   1H5*    G   2          1H5*        G   2   8.698 -40.629 -10.897
   14   2H5*    G   2          2H5*        G   2   8.805 -38.969 -11.517
   15    H4*    G   2           H4*        G   2   6.822 -40.023 -12.419
   16    H3*    G   2           H3*        G   2   6.314 -37.893 -10.341
   17    H2*    G   2           H2*        G   2   4.029 -38.328 -10.368
   18   2HO*    G   2          2HO*        G   2   3.312 -39.688 -12.377
   19    H1*    G   2           H1*        G   2   4.141 -41.047 -11.189
   20    H8     G   2           H8         G   2   6.090 -40.310  -8.017
   21    H1     G   2           H1         G   2  -0.136 -41.411  -7.036
   22   1H2     G   2          1H2         G   2  -1.222 -41.435  -8.958
   23   2H2     G   2          2H2         G   2  -0.418 -41.189 -10.494
   24   1H5*    G   3          1H5*        G   3   3.755 -37.392 -13.459
   25   2H5*    G   3          2H5*        G   3   3.727 -35.771 -14.184
   26    H4*    G   3           H4*        G   3   1.455 -36.460 -13.764
   27    H3*    G   3           H3*        G   3   2.502 -34.325 -11.907
   28    H2*    G   3           H2*        G   3   0.570 -34.391 -10.617
   29   2HO*    G   3          2HO*        G   3  -1.053 -35.817 -12.346
   30    H1*    G   3           H1*        G   3  -0.178 -37.077 -11.109
   31    H8     G   3           H8         G   3   3.341 -36.339  -9.729
   32    H1     G   3           H1         G   3  -1.147 -37.338  -5.272
   33   1H2     G   3          1H2         G   3  -3.147 -37.487  -6.239
   34   2H2     G   3          2H2         G   3  -3.368 -37.338  -7.966
   35   1H5*    A   4          1H5*        A   4  -1.462 -33.573 -13.048
   36   2H5*    A   4          2H5*        A   4  -1.656 -31.940 -13.719
   37    H4*    A   4           H4*        A   4  -3.427 -32.358 -12.120
   38    H3*    A   4           H3*        A   4  -1.323 -30.378 -11.253
   39    H2*    A   4           H2*        A   4  -2.275 -30.187  -9.136
   40   2HO*    A   4          2HO*        A   4  -4.483 -30.707  -8.753
   41    H1*    A   4           H1*        A   4  -3.396 -32.764  -8.937
   42    H8     A   4           H8         A   4   0.348 -32.232  -9.778
   43   1H6     A   4          1H6         A   4   1.316 -33.086  -3.735
   44   2H6     A   4          2H6         A   4   2.076 -32.847  -5.294
   45    H2     A   4           H2         A   4  -3.122 -33.062  -4.436
   46   1H5*    U   5          1H5*        U   5  -5.240 -28.850 -10.083
   47   2H5*    U   5          2H5*        U   5  -5.209 -27.087 -10.285
   48    H4*    U   5           H4*        U   5  -5.755 -27.911  -7.952
   49    H3*    U   5           H3*        U   5  -3.501 -25.993  -8.509
   50    H2*    U   5           H2*        U   5  -2.732 -26.102  -6.323
   51   2HO*    U   5          2HO*        U   5  -4.606 -25.463  -5.305
   52    H1*    U   5           H1*        U   5  -3.693 -28.678  -5.642
   53    H3     U   5           H3         U   5   0.660 -29.235  -4.671
   54    H5     U   5           H5         U   5   0.663 -28.562  -8.831
   55    H6     U   5           H6         U   5  -1.719 -28.116  -8.694
   56   1H5*    A   6          1H5*        A   6  -7.479 -22.486  -5.719
   57   2H5*    A   6          2H5*        A   6  -5.804 -22.127  -5.254
   58    H4*    A   6           H4*        A   6  -7.699 -23.869  -3.648
   59    H3*    A   6           H3*        A   6  -7.840 -21.081  -3.803
   60    H2*    A   6           H2*        A   6  -5.901 -20.485  -2.683
   61   2HO*    A   6          2HO*        A   6  -6.187 -20.559  -0.379
   62    H1*    A   6           H1*        A   6  -5.711 -22.928  -0.995
   63    H8     A   6           H8         A   6  -3.750 -21.860  -4.174
   64   1H6     A   6          1H6         A   6   1.060 -21.193  -0.353
   65   2H6     A   6          2H6         A   6   0.532 -21.135  -2.019
   66    H2     A   6           H2         A   6  -2.534 -22.244   2.123
   67   1H5*    U   7          1H5*        U   7  -9.836 -23.207   1.210
   68   2H5*    U   7          2H5*        U   7  -9.666 -21.443   1.329
   69    H4*    U   7           H4*        U   7  -9.088 -22.394   3.462
   70    H3*    U   7           H3*        U   7  -7.342 -20.700   2.204
   71    H2*    U   7           H2*        U   7  -5.886 -22.297   1.270
   72   2HO*    U   7          2HO*        U   7  -4.462 -22.830   3.433
   73    H1*    U   7           H1*        U   7  -6.027 -24.110   3.654
   74    H3     U   7           H3         U   7  -6.904 -27.695   0.436
   75    H5     U   7           H5         U   7  -3.511 -25.381  -0.513
   76    H6     U   7           H6         U   7  -4.247 -23.749   1.125
   77   1H5*    G   8          1H5*        G   8  -3.685 -21.604   4.455
   78   2H5*    G   8          2H5*        G   8  -3.941 -20.390   5.724
   79    H4*    G   8           H4*        G   8  -1.706 -20.093   5.000
   80    H3*    G   8           H3*        G   8  -3.594 -18.034   3.898
   81    H2*    G   8           H2*        G   8  -2.016 -17.168   2.435
   82   2HO*    G   8          2HO*        G   8  -0.104 -16.740   3.175
   83    H1*    G   8           H1*        G   8  -0.455 -19.455   1.998
   84    H8     G   8           H8         G   8  -4.164 -20.049   1.446
   85    H1     G   8           H1         G   8  -1.215 -17.483  -3.618
   86   1H2     G   8          1H2         G   8   0.845 -16.880  -3.078
   87   2H2     G   8          2H2         G   8   1.500 -17.105  -1.472
   88   1H5*    G   9          1H5*        G   9  -2.759 -13.685   4.785
   89   2H5*    G   9          2H5*        G   9  -4.010 -14.053   3.582
   90    H4*    G   9           H4*        G   9  -1.107 -13.467   3.215
   91    H3*    G   9           H3*        G   9  -3.687 -12.729   1.860
   92    H2*    G   9           H2*        G   9  -2.702 -12.701  -0.263
   93   2HO*    G   9          2HO*        G   9  -0.063 -12.944   0.622
   94    H1*    G   9           H1*        G   9  -0.931 -14.780   0.020
   95    H8     G   9           H8         G   9  -3.856 -16.308   1.580
   96    H1     G   9           H1         G   9  -4.829 -15.461  -4.694
   97   1H2     G   9          1H2         G   9  -3.288 -14.094  -5.519
   98   2H2     G   9          2H2         G   9  -2.027 -13.392  -4.532
   99   1H5*    A  10          1H5*        A  10  -1.324  -9.121   1.071
  100   2H5*    A  10          2H5*        A  10  -2.308  -7.679   1.394
  101    H4*    A  10           H4*        A  10  -1.495  -7.881  -0.976
  102    H3*    A  10           H3*        A  10  -4.436  -7.702  -0.338
  103    H2*    A  10           H2*        A  10  -5.026  -8.042  -2.566
  104   2HO*    A  10          2HO*        A  10  -2.599  -6.771  -3.014
  105    H1*    A  10           H1*        A  10  -2.877  -9.658  -3.350
  106    H8     A  10           H8         A  10  -4.302 -11.155  -0.239
  107   1H6     A  10          1H6         A  10  -8.746 -13.637  -3.742
  108   2H6     A  10          2H6         A  10  -8.007 -13.619  -2.156
  109    H2     A  10           H2         A  10  -6.499 -10.668  -6.257
  110   1H5*    A  11          1H5*        A  11  -2.893  -4.766  -3.275
  111   2H5*    A  11          2H5*        A  11  -3.771  -3.226  -3.347
  112    H4*    A  11           H4*        A  11  -3.475  -4.380  -5.564
  113    H3*    A  11           H3*        A  11  -6.223  -3.701  -4.512
  114    H2*    A  11           H2*        A  11  -7.233  -4.707  -6.386
  115   2HO*    A  11          2HO*        A  11  -6.032  -5.227  -8.266
  116    H1*    A  11           H1*        A  11  -5.536  -6.856  -6.647
  117    H8     A  11           H8         A  11  -6.247  -6.272  -2.967
  118   1H6     A  11          1H6         A  11 -11.419  -9.548  -3.796
  119   2H6     A  11          2H6         A  11 -10.372  -8.791  -2.618
  120    H2     A  11           H2         A  11  -9.619  -8.758  -7.836
  121   1H5*    G  12          1H5*        G  12  -6.298  -1.512  -8.305
  122   2H5*    G  12          2H5*        G  12  -7.040   0.072  -8.003
  123    H4*    G  12           H4*        G  12  -8.271  -1.287  -9.687
  124    H3*    G  12           H3*        G  12  -9.652  -0.486  -7.124
  125    H2*    G  12           H2*        G  12 -11.583  -1.669  -7.743
  126   2HO*    G  12          2HO*        G  12 -11.445  -2.530 -10.125
  127    H1*    G  12           H1*        G  12 -10.361  -3.794  -9.034
  128    H8     G  12           H8         G  12  -8.561  -3.079  -5.783
  129    H1     G  12           H1         G  12 -13.970  -6.413  -5.008
  130   1H2     G  12          1H2         G  12 -15.120  -6.443  -6.908
  131   2H2     G  12          2H2         G  12 -14.558  -5.643  -8.357
  132   1H5*    A  13          1H5*        A  13 -12.228  -0.103  -9.668
  133   2H5*    A  13          2H5*        A  13 -12.713   1.508 -10.231
  134    H4*    A  13           H4*        A  13 -14.781   0.536 -10.016
  135    H3*    A  13           H3*        A  13 -14.129   1.744  -7.330
  136    H2*    A  13           H2*        A  13 -16.014   0.758  -6.355
  137   2HO*    A  13          2HO*        A  13 -17.484  -0.315  -8.192
  138    H1*    A  13           H1*        A  13 -16.068  -1.606  -7.816
  139    H8     A  13           H8         A  13 -12.700  -0.407  -6.345
  140   1H6     A  13          1H6         A  13 -14.002  -4.143  -1.603
  141   2H6     A  13          2H6         A  13 -12.798  -3.098  -2.322
  142    H2     A  13           H2         A  13 -17.576  -4.073  -4.329
  143   1H5*    A  14          1H5*        A  14 -18.177   2.347  -7.722
  144   2H5*    A  14          2H5*        A  14 -18.558   4.069  -7.521
  145    H4*    A  14           H4*        A  14 -19.961   2.859  -6.010
  146    H3*    A  14           H3*        A  14 -17.650   4.244  -4.651
  147    H2*    A  14           H2*        A  14 -18.183   3.278  -2.609
  148   2HO*    A  14          2HO*        A  14 -20.777   3.460  -3.620
  149    H1*    A  14           H1*        A  14 -19.478   0.942  -3.577
  150    H8     A  14           H8         A  14 -15.834   1.893  -4.494
  151   1H6     A  14          1H6         A  14 -14.202  -1.988   0.020
  152   2H6     A  14          2H6         A  14 -13.624  -0.949  -1.263
  153    H2     A  14           H2         A  14 -18.690  -1.692   0.009
  154   1H5*    C  15          1H5*        C  15 -21.954   4.957  -2.818
  155   2H5*    C  15          2H5*        C  15 -21.883   6.624  -2.212
  156    H4*    C  15           H4*        C  15 -22.898   5.078  -0.574
  157    H3*    C  15           H3*        C  15 -20.292   6.422   0.140
  158    H2*    C  15           H2*        C  15 -20.187   5.257   2.170
  159   2HO*    C  15          2HO*        C  15 -21.926   4.673   3.285
  160    H1*    C  15           H1*        C  15 -21.352   2.868   1.340
  161   1H4     C  15          1H4         C  15 -15.121   1.597   1.453
  162   2H4     C  15          2H4         C  15 -14.862   2.582   0.030
  163    H5     C  15           H5         C  15 -16.610   3.846  -1.037
  164    H6     C  15           H6         C  15 -18.980   4.469  -0.955
  165   1H5*    C  16          1H5*        C  16 -22.239   6.533   3.494
  166   2H5*    C  16          2H5*        C  16 -22.270   8.120   4.292
  167    H4*    C  16           H4*        C  16 -21.262   6.552   5.807
  168    H3*    C  16           H3*        C  16 -19.301   8.450   4.515
  169    H2*    C  16           H2*        C  16 -17.509   7.371   5.532
  170   2HO*    C  16          2HO*        C  16 -19.342   6.308   7.439
  171    H1*    C  16           H1*        C  16 -18.661   4.795   5.754
  172   1H4     C  16          1H4         C  16 -14.078   4.071   1.425
  173   2H4     C  16          2H4         C  16 -14.877   5.172   0.323
  174    H5     C  16           H5         C  16 -16.918   6.337   0.868
  175    H6     C  16           H6         C  16 -18.613   6.721   2.598
  176   1H5*    G  17          1H5*        G  17 -19.756   8.490   9.384
  177   2H5*    G  17          2H5*        G  17 -19.201  10.122   9.808
  178    H4*    G  17           H4*        G  17 -18.365   8.370  11.362
  179    H3*    G  17           H3*        G  17 -16.395   9.995   9.756
  180    H2*    G  17           H2*        G  17 -14.591   8.773  10.647
  181   2HO*    G  17          2HO*        G  17 -16.453   8.018  12.647
  182    H1*    G  17           H1*        G  17 -15.743   6.285  10.619
  183    H8     G  17           H8         G  17 -16.846   8.013   7.479
  184    H1     G  17           H1         G  17 -10.840   5.845   7.106
  185   1H2     G  17          1H2         G  17 -10.131   5.207   9.118
  186   2H2     G  17          2H2         G  17 -11.134   5.327  10.547
  187   1H5*    G  18          1H5*        G  18 -14.260   9.448  12.782
  188   2H5*    G  18          2H5*        G  18 -14.138  10.928  13.754
  189    H4*    G  18           H4*        G  18 -11.921  10.216  13.599
  190    H3*    G  18           H3*        G  18 -12.451  12.248  11.429
  191    H2*    G  18           H2*        G  18 -10.345  11.889  10.512
  192   2HO*    G  18          2HO*        G  18  -8.610  11.042  11.794
  193    H1*    G  18           H1*        G  18  -9.968   9.217  11.408
  194    H8     G  18           H8         G  18 -13.084   9.605   9.307
  195    H1     G  18           H1         G  18  -7.741   9.069   5.826
  196   1H2     G  18          1H2         G  18  -5.959   9.226   7.140
  197   2H2     G  18          2H2         G  18  -6.086   9.462   8.868
  198   1H5*    G  19          1H5*        G  19  -8.373  12.570  12.935
  199   2H5*    G  19          2H5*        G  19  -8.269  14.230  13.552
  200    H4*    G  19           H4*        G  19  -6.290  13.690  12.229
  201    H3*    G  19           H3*        G  19  -8.180  15.735  11.066
  202    H2*    G  19           H2*        G  19  -6.954  15.847   9.097
  203   2HO*    G  19          2HO*        G  19  -4.856  16.003   9.163
  204    H1*    G  19           H1*        G  19  -5.809  13.247   9.168
  205    H8     G  19           H8         G  19  -9.629  13.875   9.221
  206    H1     G  19           H1         G  19  -7.151  12.709   3.434
  207   1H2     G  19          1H2         G  19  -4.939  12.556   3.568
  208   2H2     G  19          2H2         G  19  -4.077  12.742   5.080
  209   1H5*    G  20          1H5*        G  20  -7.005  20.060  10.593
  210   2H5*    G  20          2H5*        G  20  -8.301  19.445   9.548
  211    H4*    G  20           H4*        G  20  -5.336  19.504   9.094
  212    H3*    G  20           H3*        G  20  -7.797  20.285   7.559
  213    H2*    G  20           H2*        G  20  -6.912  19.555   5.508
  214   2HO*    G  20          2HO*        G  20  -4.372  19.440   6.803
  215    H1*    G  20           H1*        G  20  -5.686  17.272   6.333
  216    H8     G  20           H8         G  20  -8.764  17.377   8.439
  217    H1     G  20           H1         G  20 -10.091  15.893   2.357
  218   1H2     G  20          1H2         G  20  -8.315  16.225   1.089
  219   2H2     G  20          2H2         G  20  -6.798  16.817   1.729
  220   1H5*    A  21          1H5*        A  21  -8.978  23.980   6.571
  221   2H5*    A  21          2H5*        A  21  -9.304  22.399   5.834
  222    H4*    A  21           H4*        A  21  -9.569  24.649   4.455
  223    H3*    A  21           H3*        A  21  -8.713  21.935   3.591
  224    H2*    A  21           H2*        A  21  -7.662  22.604   1.628
  225   2HO*    A  21          2HO*        A  21  -8.689  23.940   0.389
  226    H1*    A  21           H1*        A  21  -6.688  25.066   2.328
  227    H8     A  21           H8         A  21  -6.175  22.638   5.198
  228   1H6     A  21          1H6         A  21  -0.953  20.932   2.390
  229   2H6     A  21          2H6         A  21  -1.918  20.794   3.843
  230    H2     A  21           H2         A  21  -3.213  23.604  -0.425
  231   1H5*    A  22          1H5*        A  22 -10.785  19.543   0.626
  232   2H5*    A  22          2H5*        A  22  -9.362  18.806   1.391
  233    H4*    A  22           H4*        A  22  -9.546  20.666  -0.937
  234    H3*    A  22           H3*        A  22  -8.103  18.146  -0.261
  235    H2*    A  22           H2*        A  22  -6.044  18.811  -1.093
  236   2HO*    A  22          2HO*        A  22  -7.572  20.542  -2.738
  237    H1*    A  22           H1*        A  22  -6.120  21.531  -0.665
  238    H8     A  22           H8         A  22  -7.154  20.730   2.643
  239   1H6     A  22          1H6         A  22  -1.640  18.235   3.867
  240   2H6     A  22          2H6         A  22  -3.126  18.847   4.557
  241    H2     A  22           H2         A  22  -2.014  18.648  -0.594
  242   1H5*    A  23          1H5*        A  23  -7.178  17.344  -5.176
  243   2H5*    A  23          2H5*        A  23  -7.673  15.702  -4.717
  244    H4*    A  23           H4*        A  23  -5.246  16.156  -5.619
  245    H3*    A  23           H3*        A  23  -6.111  14.314  -3.421
  246    H2*    A  23           H2*        A  23  -3.931  13.948  -2.642
  247   2HO*    A  23          2HO*        A  23  -2.216  13.964  -3.920
  248    H1*    A  23           H1*        A  23  -2.883  16.440  -2.960
  249    H8     A  23           H8         A  23  -6.557  16.369  -1.816
  250   1H6     A  23          1H6         A  23  -4.317  16.543   3.940
  251   2H6     A  23          2H6         A  23  -5.769  16.615   2.963
  252    H2     A  23           H2         A  23  -0.845  16.077   1.106
  253   1H5*    C  24          1H5*        C  24  -3.618  11.986  -4.930
  254   2H5*    C  24          2H5*        C  24  -4.010  10.256  -5.002
  255    H4*    C  24           H4*        C  24  -2.342  10.890  -3.226
  256    H3*    C  24           H3*        C  24  -4.936   9.533  -2.453
  257    H2*    C  24           H2*        C  24  -4.256   9.571  -0.199
  258   2HO*    C  24          2HO*        C  24  -1.812  10.504  -0.130
  259    H1*    C  24           H1*        C  24  -3.006  12.042  -0.238
  260   1H4     C  24          1H4         C  24  -8.755  13.077   2.305
  261   2H4     C  24          2H4         C  24  -9.487  13.041   0.716
  262    H5     C  24           H5         C  24  -8.249  12.547  -1.296
  263    H6     C  24           H6         C  24  -6.057  11.948  -2.211
  264   1H5*    U  25          1H5*        U  25  -2.038   8.000  -0.499
  265   2H5*    U  25          2H5*        U  25  -1.924   6.243  -0.279
  266    H4*    U  25           H4*        U  25  -1.964   7.471   1.871
  267    H3*    U  25           H3*        U  25  -4.260   5.605   1.253
  268    H2*    U  25           H2*        U  25  -5.293   6.180   3.269
  269   2HO*    U  25          2HO*        U  25  -4.198   6.722   5.066
  270    H1*    U  25           H1*        U  25  -4.310   8.820   3.465
  271    H3     U  25           H3         U  25  -8.832   9.262   3.618
  272    H5     U  25           H5         U  25  -7.962   8.487  -0.434
  273    H6     U  25           H6         U  25  -5.681   8.008   0.213
  274   1H5*    U  26          1H5*        U  26  -3.098   4.904   4.769
  275   2H5*    U  26          2H5*        U  26  -2.354   3.368   5.256
  276    H4*    U  26           H4*        U  26  -3.857   3.599   6.967
  277    H3*    U  26           H3*        U  26  -5.413   2.255   4.749
  278    H2*    U  26           H2*        U  26  -7.368   2.398   6.028
  279   2HO*    U  26          2HO*        U  26  -6.393   3.261   8.422
  280    H1*    U  26           H1*        U  26  -6.819   4.820   7.311
  281    H3     U  26           H3         U  26 -10.442   6.110   4.976
  282    H5     U  26           H5         U  26  -7.718   4.973   1.971
  283    H6     U  26           H6         U  26  -6.189   4.260   3.712
  284   1H5*    G  27          1H5*        G  27  -6.209   0.560   8.426
  285   2H5*    G  27          2H5*        G  27  -6.763  -1.126   8.401
  286    H4*    G  27           H4*        G  27  -8.431   0.533   9.309
  287    H3*    G  27           H3*        G  27  -9.155  -1.155   6.897
  288    H2*    G  27           H2*        G  27 -11.240  -0.108   6.823
  289   2HO*    G  27          2HO*        G  27 -11.912  -0.500   8.910
  290    H1*    G  27           H1*        G  27 -10.433   2.366   7.955
  291    H8     G  27           H8         G  27  -8.625   1.114   4.798
  292    H1     G  27           H1         G  27 -13.891   4.583   3.691
  293   1H2     G  27          1H2         G  27 -14.940   4.989   5.607
  294   2H2     G  27          2H2         G  27 -14.339   4.408   7.144
  295   1H5*    G  28          1H5*        G  28 -12.012  -2.677  10.285
  296   2H5*    G  28          2H5*        G  28 -12.025  -4.434  10.032
  297    H4*    G  28           H4*        G  28 -14.306  -3.640  10.154
  298    H3*    G  28           H3*        G  28 -13.397  -4.490   7.403
  299    H2*    G  28           H2*        G  28 -15.466  -3.871   6.485
  300   2HO*    G  28          2HO*        G  28 -16.356  -4.505   8.998
  301    H1*    G  28           H1*        G  28 -15.938  -1.625   8.018
  302    H8     G  28           H8         G  28 -12.338  -2.031   6.736
  303    H1     G  28           H1         G  28 -16.269   0.948   2.657
  304   1H2     G  28          1H2         G  28 -18.344   0.912   3.445
  305   2H2     G  28          2H2         G  28 -18.767   0.131   4.951
  306   1H5*    U  29          1H5*        U  29 -17.386  -6.464   8.179
  307   2H5*    U  29          2H5*        U  29 -17.210  -8.106   7.530
  308    H4*    U  29           H4*        U  29 -19.215  -6.915   6.661
  309    H3*    U  29           H3*        U  29 -17.061  -7.746   4.707
  310    H2*    U  29           H2*        U  29 -18.295  -6.812   2.943
  311   2HO*    U  29          2HO*        U  29 -20.599  -6.395   4.506
  312    H1*    U  29           H1*        U  29 -19.365  -4.644   4.326
  313    H3     U  29           H3         U  29 -16.737  -2.687   1.199
  314    H5     U  29           H5         U  29 -14.001  -4.385   3.917
  315    H6     U  29           H6         U  29 -15.874  -5.440   5.044
  316   1H5*    U  30          1H5*        U  30 -20.932  -9.014   3.174
  317   2H5*    U  30          2H5*        U  30 -20.773 -10.649   2.506
  318    H4*    U  30           H4*        U  30 -21.812  -9.095   0.899
  319    H3*    U  30           H3*        U  30 -19.083 -10.191   0.174
  320    H2*    U  30           H2*        U  30 -19.159  -8.989  -1.844
  321   2HO*    U  30          2HO*        U  30 -21.002  -8.432  -2.849
  322    H1*    U  30           H1*        U  30 -20.506  -6.743  -0.882
  323    H3     U  30           H3         U  30 -16.519  -5.001  -2.078
  324    H5     U  30           H5         U  30 -15.620  -7.343   1.311
  325    H6     U  30           H6         U  30 -17.906  -8.158   1.272
  326   1H5*    C  31          1H5*        C  31 -21.400 -10.630  -3.257
  327   2H5*    C  31          2H5*        C  31 -20.987 -12.135  -4.102
  328    H4*    C  31           H4*        C  31 -20.611 -10.102  -5.484
  329    H3*    C  31           H3*        C  31 -18.221 -11.817  -4.772
  330    H2*    C  31           H2*        C  31 -16.824 -10.345  -5.911
  331   2HO*    C  31          2HO*        C  31 -17.416  -9.829  -7.851
  332    H1*    C  31           H1*        C  31 -18.381  -7.998  -5.553
  333   1H4     C  31          1H4         C  31 -13.156  -6.990  -2.084
  334   2H4     C  31          2H4         C  31 -13.623  -8.235  -0.948
  335    H5     C  31           H5         C  31 -15.584  -9.609  -1.229
  336    H6     C  31           H6         C  31 -17.496 -10.112  -2.677
  337   1H5*    U  32          1H5*        U  32 -18.280 -11.457  -9.320
  338   2H5*    U  32          2H5*        U  32 -17.947 -13.113  -9.867
  339    H4*    U  32           H4*        U  32 -16.472 -11.522 -10.995
  340    H3*    U  32           H3*        U  32 -15.197 -13.445  -9.051
  341    H2*    U  32           H2*        U  32 -13.093 -12.456  -9.355
  342   2HO*    U  32          2HO*        U  32 -12.706 -11.013 -11.144
  343    H1*    U  32           H1*        U  32 -13.899  -9.824  -9.618
  344    H3     U  32           H3         U  32 -11.751  -9.642  -5.662
  345    H5     U  32           H5         U  32 -15.164 -11.961  -4.823
  346    H6     U  32           H6         U  32 -15.703 -11.903  -7.187
  347   1H5*    U  33          1H5*        U  33 -13.112 -12.846 -12.661
  348   2H5*    U  33          2H5*        U  33 -12.293 -14.273 -13.325
  349    H4*    U  33           H4*        U  33 -10.821 -12.253 -13.042
  350    H3*    U  33           H3*        U  33 -10.166 -14.866 -11.686
  351    H2*    U  33           H2*        U  33  -8.395 -13.916 -10.528
  352   2HO*    U  33          2HO*        U  33  -8.169 -12.453 -12.860
  353    H1*    U  33           H1*        U  33  -9.311 -11.228 -10.475
  354    H3     U  33           H3         U  33  -8.575 -11.950  -6.083
  355    H5     U  33           H5         U  33 -11.750 -14.564  -7.005
  356    H6     U  33           H6         U  33 -11.494 -13.948  -9.339
  357   1H5*    C  34          1H5*        C  34  -5.498 -15.703 -13.613
  358   2H5*    C  34          2H5*        C  34  -5.698 -16.368 -11.977
  359    H4*    C  34           H4*        C  34  -4.348 -13.847 -12.873
  360    H3*    C  34           H3*        C  34  -3.697 -16.159 -11.086
  361    H2*    C  34           H2*        C  34  -2.716 -14.844  -9.430
  362   2HO*    C  34          2HO*        C  34  -2.499 -12.776 -11.380
  363    H1*    C  34           H1*        C  34  -4.270 -12.586  -9.584
  364   1H4     C  34          1H4         C  34  -6.556 -16.163  -4.795
  365   2H4     C  34          2H4         C  34  -7.760 -16.798  -5.892
  366    H5     C  34           H5         C  34  -7.774 -16.323  -8.253
  367    H6     C  34           H6         C  34  -6.633 -15.143 -10.073
  368   1H5*    C  35          1H5*        C  35   0.001 -13.676 -10.566
  369   2H5*    C  35          2H5*        C  35   1.009 -14.621 -11.681
  370    H4*    C  35           H4*        C  35   2.341 -14.199  -9.754
  371    H3*    C  35           H3*        C  35   1.326 -17.001 -10.000
  372    H2*    C  35           H2*        C  35   1.906 -17.615  -7.831
  373   2HO*    C  35          2HO*        C  35   3.927 -15.781  -8.264
  374    H1*    C  35           H1*        C  35   1.546 -15.226  -6.499
  375   1H4     C  35          1H4         C  35  -3.810 -18.426  -5.256
  376   2H4     C  35          2H4         C  35  -4.368 -18.186  -6.894
  377    H5     C  35           H5         C  35  -3.051 -17.114  -8.595
  378    H6     C  35           H6         C  35  -0.910 -16.038  -9.099
  379   1H5*    U  36          1H5*        U  36   5.668 -19.553  -9.096
  380   2H5*    U  36          2H5*        U  36   4.182 -20.497  -8.866
  381    H4*    U  36           H4*        U  36   5.844 -19.025  -6.833
  382    H3*    U  36           H3*        U  36   4.881 -21.828  -7.227
  383    H2*    U  36           H2*        U  36   4.168 -22.109  -5.046
  384   2HO*    U  36          2HO*        U  36   5.233 -21.284  -3.335
  385    H1*    U  36           H1*        U  36   3.667 -19.442  -4.312
  386    H3     U  36           H3         U  36  -0.220 -21.679  -3.523
  387    H5     U  36           H5         U  36  -0.137 -21.075  -7.694
  388    H6     U  36           H6         U  36   2.144 -20.277  -7.465
  389   1H5*    A  37          1H5*        A  37   7.268 -25.198  -5.397
  390   2H5*    A  37          2H5*        A  37   5.681 -25.615  -6.074
  391    H4*    A  37           H4*        A  37   6.374 -24.702  -3.282
  392    H3*    A  37           H3*        A  37   5.899 -27.238  -4.224
  393    H2*    A  37           H2*        A  37   3.671 -27.051  -4.895
  394   2HO*    A  37          2HO*        A  37   3.310 -28.429  -3.243
  395    H1*    A  37           H1*        A  37   2.837 -25.102  -2.811
  396    H8     A  37           H8         A  37   3.621 -24.576  -6.575
  397   1H6     A  37          1H6         A  37  -2.478 -23.823  -7.219
  398   2H6     A  37          2H6         A  37  -0.929 -23.777  -8.033
  399    H2     A  37           H2         A  37  -1.666 -24.936  -2.941
  400   1H5*    A  38          1H5*        A  38   7.899 -26.830   0.633
  401   2H5*    A  38          2H5*        A  38   8.058 -28.576   0.915
  402    H4*    A  38           H4*        A  38   7.361 -27.549   2.975
  403    H3*    A  38           H3*        A  38   5.330 -29.231   1.561
  404    H2*    A  38           H2*        A  38   3.546 -28.526   2.873
  405   2HO*    A  38          2HO*        A  38   4.522 -29.021   4.864
  406    H1*    A  38           H1*        A  38   4.331 -25.939   3.471
  407    H8     A  38           H8         A  38   4.890 -26.142  -0.177
  408   1H6     A  38          1H6         A  38  -1.203 -25.529  -0.977
  409   2H6     A  38          2H6         A  38   0.361 -25.504  -1.762
  410    H2     A  38           H2         A  38  -0.459 -26.381   3.372
  411   1H5*    G  39          1H5*        G  39   3.740 -33.127   4.588
  412   2H5*    G  39          2H5*        G  39   3.499 -32.483   2.950
  413    H4*    G  39           H4*        G  39   2.074 -31.695   5.504
  414    H3*    G  39           H3*        G  39   1.302 -33.187   3.049
  415    H2*    G  39           H2*        G  39  -0.566 -31.901   2.537
  416   2HO*    G  39          2HO*        G  39  -0.542 -31.117   5.275
  417    H1*    G  39           H1*        G  39   0.199 -29.426   3.417
  418    H8     G  39           H8         G  39   3.284 -30.607   1.757
  419    H1     G  39           H1         G  39  -1.276 -29.172  -2.502
  420   1H2     G  39          1H2         G  39  -3.231 -28.944  -1.476
  421   2H2     G  39          2H2         G  39  -3.413 -29.142   0.253
  422   1H5*    U  40          1H5*        U  40  -2.392 -33.158   4.562
  423   2H5*    U  40          2H5*        U  40  -2.796 -34.787   5.142
  424    H4*    U  40           H4*        U  40  -4.613 -34.163   3.773
  425    H3*    U  40           H3*        U  40  -2.704 -36.022   2.386
  426    H2*    U  40           H2*        U  40  -3.761 -35.772   0.312
  427   2HO*    U  40          2HO*        U  40  -5.943 -34.391   0.649
  428    H1*    U  40           H1*        U  40  -4.456 -33.120   0.455
  429    H3     U  40           H3         U  40  -1.237 -33.082  -2.714
  430    H5     U  40           H5         U  40   0.883 -33.734   0.869
  431    H6     U  40           H6         U  40  -1.247 -33.922   2.018
  432   1H5*    C  41          1H5*        C  41  -6.245 -36.958   1.399
  433   2H5*    C  41          2H5*        C  41  -6.949 -38.579   1.557
  434    H4*    C  41           H4*        C  41  -7.279 -37.908  -0.708
  435    H3*    C  41           H3*        C  41  -5.017 -39.882  -0.387
  436    H2*    C  41           H2*        C  41  -4.509 -39.739  -2.661
  437   2HO*    C  41          2HO*        C  41  -6.167 -38.648  -4.084
  438    H1*    C  41           H1*        C  41  -5.242 -37.067  -3.077
  439   1H4     C  41          1H4         C  41   1.110 -36.993  -3.087
  440   2H4     C  41          2H4         C  41   1.151 -37.278  -1.362
  441    H5     C  41           H5         C  41  -0.827 -37.652  -0.036
  442    H6     C  41           H6         C  41  -3.269 -37.865  -0.086
  443   1H5*    C  42          1H5*        C  42  -7.849 -41.062  -3.673
  444   2H5*    C  42          2H5*        C  42  -8.142 -42.804  -3.496
  445    H4*    C  42           H4*        C  42  -7.660 -42.263  -5.824
  446    H3*    C  42           H3*        C  42  -5.562 -43.867  -4.359
  447    H2*    C  42           H2*        C  42  -4.174 -43.855  -6.250
  448   2HO*    C  42          2HO*        C  42  -6.598 -43.470  -7.605
  449    H1*    C  42           H1*        C  42  -4.755 -41.307  -7.166
  450   1H4     C  42          1H4         C  42   0.718 -40.550  -4.005
  451   2H4     C  42          2H4         C  42  -0.104 -40.757  -2.477
  452    H5     C  42           H5         C  42  -2.429 -41.307  -2.294
  453    H6     C  42           H6         C  42  -4.498 -41.758  -3.532
  454   1H5*    U  43          1H5*        U  43  -5.597 -45.060  -8.049
  455   2H5*    U  43          2H5*        U  43  -5.731 -46.814  -8.275
  456    H4*    U  43           H4*        U  43  -3.786 -45.906  -9.464
  457    H3*    U  43           H3*        U  43  -3.294 -47.776  -7.162
  458    H2*    U  43           H2*        U  43  -1.062 -47.286  -7.097
  459   2HO*    U  43          2HO*        U  43   0.094 -47.660  -8.817
  460    H1*    U  43           H1*        U  43  -1.193 -44.962  -8.888
  461    H3     U  43           H3         U  43   2.123 -43.615  -6.171
  462    H5     U  43           H5         U  43  -1.208 -43.937  -3.600
  463    H6     U  43           H6         U  43  -2.445 -44.912  -5.448
  464    H3T    U  43           H3T        U  43  -2.952 -47.857  -9.990
  465   1H5*    G  44          1H5*        G  44  -4.439  46.770  -3.228
  466   2H5*    G  44          2H5*        G  44  -5.441  45.418  -3.794
  467    H4*    G  44           H4*        G  44  -4.300  46.014  -5.725
  468    H3*    G  44           H3*        G  44  -2.872  43.767  -4.343
  469    H2*    G  44           H2*        G  44  -0.982  43.926  -5.717
  470   2HO*    G  44          2HO*        G  44  -1.694  45.754  -7.561
  471    H1*    G  44           H1*        G  44  -0.832  46.640  -5.996
  472    H8     G  44           H8         G  44  -1.852  46.034  -2.431
  473    H1     G  44           H1         G  44   4.383  44.957  -3.426
  474   1H2     G  44          1H2         G  44   4.816  44.954  -5.600
  475   2H2     G  44          2H2         G  44   3.577  45.216  -6.808
  476    H5T    G  44           H5T        G  44  -4.479  44.775  -1.922
  477   1H5*    G  45          1H5*        G  45  -1.876  43.521  -8.120
  478   2H5*    G  45          2H5*        G  45  -2.203  41.935  -8.847
  479    H4*    G  45           H4*        G  45   0.143  42.653  -9.167
  480    H3*    G  45           H3*        G  45  -0.402  40.187  -7.515
  481    H2*    G  45           H2*        G  45   1.854  39.966  -6.994
  482   2HO*    G  45          2HO*        G  45   2.661  41.680  -9.093
  483    H1*    G  45           H1*        G  45   2.596  42.698  -7.220
  484    H8     G  45           H8         G  45  -0.221  42.108  -4.753
  485    H1     G  45           H1         G  45   5.600  41.119  -2.272
  486   1H2     G  45          1H2         G  45   7.124  41.128  -3.882
  487   2H2     G  45          2H2         G  45   6.713  41.377  -5.564
  488   1H5*    G  46          1H5*        G  46   2.522  39.277 -10.105
  489   2H5*    G  46          2H5*        G  46   2.306  37.832 -11.113
  490    H4*    G  46           H4*        G  46   4.453  37.655 -10.073
  491    H3*    G  46           H3*        G  46   2.364  35.861  -8.829
  492    H2*    G  46           H2*        G  46   3.875  35.149  -7.200
  493   2HO*    G  46          2HO*        G  46   6.138  35.311  -7.491
  494    H1*    G  46           H1*        G  46   5.398  37.502  -6.997
  495    H8     G  46           H8         G  46   1.567  37.801  -6.739
  496    H1     G  46           H1         G  46   4.578  36.830  -1.172
  497   1H2     G  46          1H2         G  46   6.733  36.433  -1.543
  498   2H2     G  46          2H2         G  46   7.419  36.401  -3.150
  499   1H5*    A  47          1H5*        A  47   6.090  34.166  -9.295
  500   2H5*    A  47          2H5*        A  47   6.104  32.628 -10.180
  501    H4*    A  47           H4*        A  47   7.569  32.463  -8.254
  502    H3*    A  47           H3*        A  47   5.016  30.864  -8.111
  503    H2*    A  47           H2*        A  47   5.463  30.202  -5.921
  504   2HO*    A  47          2HO*        A  47   8.191  30.859  -6.423
  505    H1*    A  47           H1*        A  47   6.905  32.455  -5.070
  506    H8     A  47           H8         A  47   3.481  32.988  -6.756
  507   1H6     A  47          1H6         A  47   1.154  32.922  -1.037
  508   2H6     A  47          2H6         A  47   0.801  33.169  -2.731
  509    H2     A  47           H2         A  47   5.522  31.889  -0.762
  510   1H5*    U  48          1H5*        U  48   8.132  28.113  -6.773
  511   2H5*    U  48          2H5*        U  48   7.599  26.475  -7.203
  512    H4*    U  48           H4*        U  48   7.857  27.057  -4.698
  513    H3*    U  48           H3*        U  48   5.486  25.682  -5.939
  514    H2*    U  48           H2*        U  48   4.229  25.839  -3.997
  515   2HO*    U  48          2HO*        U  48   5.775  24.743  -2.720
  516    H1*    U  48           H1*        U  48   5.468  28.105  -2.832
  517    H3     U  48           H3         U  48   1.117  29.320  -2.852
  518    H5     U  48           H5         U  48   2.193  29.320  -6.928
  519    H6     U  48           H6         U  48   4.333  28.367  -6.295
  520   1H5*    A  49          1H5*        A  49   8.445  23.175  -2.404
  521   2H5*    A  49          2H5*        A  49   7.489  21.682  -2.301
  522    H4*    A  49           H4*        A  49   8.049  23.736  -0.246
  523    H3*    A  49           H3*        A  49   8.344  20.972  -0.385
  524    H2*    A  49           H2*        A  49   6.119  20.334  -0.069
  525   2HO*    A  49          2HO*        A  49   6.714  19.518   1.817
  526    H1*    A  49           H1*        A  49   5.471  22.674   1.689
  527    H8     A  49           H8         A  49   4.390  21.452  -1.856
  528   1H6     A  49          1H6         A  49  -1.301  21.299   0.552
  529   2H6     A  49          2H6         A  49  -0.348  21.058  -0.894
  530    H2     A  49           H2         A  49   1.547  22.513   3.805
  531   1H5*    U  50          1H5*        U  50   9.362  20.837   5.677
  532   2H5*    U  50          2H5*        U  50   9.220  19.478   4.543
  533    H4*    U  50           H4*        U  50   7.504  19.324   6.270
  534    H3*    U  50           H3*        U  50   6.924  19.183   3.539
  535    H2*    U  50           H2*        U  50   5.833  21.237   3.312
  536   2HO*    U  50          2HO*        U  50   3.598  20.380   4.652
  537    H1*    U  50           H1*        U  50   4.731  21.135   6.106
  538    H3     U  50           H3         U  50   6.390  25.756   6.419
  539    H5     U  50           H5         U  50   3.837  25.071   3.133
  540    H6     U  50           H6         U  50   4.068  22.688   3.534
  541   1H5*    G  51          1H5*        G  51   1.912  20.139   6.748
  542   2H5*    G  51          2H5*        G  51   2.224  18.450   7.198
  543    H4*    G  51           H4*        G  51   0.031  18.964   5.957
  544    H3*    G  51           H3*        G  51   1.967  16.788   5.220
  545    H2*    G  51           H2*        G  51   0.909  16.334   3.213
  546   2HO*    G  51          2HO*        G  51  -1.163  16.166   4.527
  547    H1*    G  51           H1*        G  51  -0.286  18.843   2.720
  548    H8     G  51           H8         G  51   3.469  18.977   3.264
  549    H1     G  51           H1         G  51   1.820  17.535  -2.740
  550   1H2     G  51          1H2         G  51  -0.350  17.147  -2.872
  551   2H2     G  51          2H2         G  51  -1.408  17.239  -1.481
  552   1H5*    G  52          1H5*        G  52   0.535  12.514   5.195
  553   2H5*    G  52          2H5*        G  52   2.118  12.849   4.466
  554    H4*    G  52           H4*        G  52  -0.585  12.713   3.207
  555    H3*    G  52           H3*        G  52   2.208  11.818   2.523
  556    H2*    G  52           H2*        G  52   1.836  12.121   0.227
  557   2HO*    G  52          2HO*        G  52  -0.950  12.278   0.813
  558    H1*    G  52           H1*        G  52   0.301  14.391   0.333
  559    H8     G  52           H8         G  52   2.886  15.169   2.846
  560    H1     G  52           H1         G  52   5.295  15.214  -3.085
  561   1H2     G  52          1H2         G  52   3.853  14.283  -4.488
  562   2H2     G  52          2H2         G  52   2.308  13.650  -3.971
  563   1H5*    A  53          1H5*        A  53  -0.341   8.573   0.775
  564   2H5*    A  53          2H5*        A  53   0.330   7.001   1.253
  565    H4*    A  53           H4*        A  53   0.085   7.243  -1.207
  566    H3*    A  53           H3*        A  53   2.825   6.836  -0.015
  567    H2*    A  53           H2*        A  53   3.842   7.044  -2.122
  568   2HO*    A  53          2HO*        A  53   1.879   7.204  -3.884
  569    H1*    A  53           H1*        A  53   2.217   8.999  -3.184
  570    H8     A  53           H8         A  53   2.958   9.910   0.401
  571   1H6     A  53          1H6         A  53   8.297  12.277  -1.596
  572   2H6     A  53          2H6         A  53   7.206  12.129  -0.238
  573    H2     A  53           H2         A  53   6.435  10.002  -5.002
  574   1H5*    A  54          1H5*        A  54   2.492   3.984  -3.310
  575   2H5*    A  54          2H5*        A  54   3.373   2.507  -2.877
  576    H4*    A  54           H4*        A  54   4.154   3.696  -4.982
  577    H3*    A  54           H3*        A  54   6.068   3.114  -2.706
  578    H2*    A  54           H2*        A  54   7.816   4.055  -3.994
  579   2HO*    A  54          2HO*        A  54   6.166   3.356  -6.091
  580    H1*    A  54           H1*        A  54   6.397   6.187  -4.973
  581    H8     A  54           H8         A  54   5.351   5.664  -1.378
  582   1H6     A  54          1H6         A  54  10.387   8.850   0.235
  583   2H6     A  54          2H6         A  54   8.883   8.157   0.797
  584    H2     A  54           H2         A  54  10.665   7.962  -4.161
  585   1H5*    G  55          1H5*        G  55   7.677   0.825  -6.147
  586   2H5*    G  55          2H5*        G  55   8.455  -0.660  -5.564
  587    H4*    G  55           H4*        G  55   9.995   0.808  -6.851
  588    H3*    G  55           H3*        G  55  10.602   0.255  -3.940
  589    H2*    G  55           H2*        G  55  12.549   1.594  -4.100
  590   2HO*    G  55          2HO*        G  55  12.284   1.034  -6.825
  591    H1*    G  55           H1*        G  55  11.475   3.607  -5.603
  592    H8     G  55           H8         G  55   8.902   2.369  -3.094
  593    H1     G  55           H1         G  55  13.184   6.397  -0.576
  594   1H2     G  55          1H2         G  55  14.806   6.794  -2.030
  595   2H2     G  55          2H2         G  55  14.841   6.062  -3.619
  596   1H5*    A  56          1H5*        A  56  14.023  -0.297  -5.785
  597   2H5*    A  56          2H5*        A  56  14.785  -1.890  -5.602
  598    H4*    A  56           H4*        A  56  16.456  -0.268  -5.088
  599    H3*    A  56           H3*        A  56  15.310  -1.569  -2.613
  600    H2*    A  56           H2*        A  56  16.653  -0.215  -1.250
  601   2HO*    A  56          2HO*        A  56  18.260  -0.025  -3.559
  602    H1*    A  56           H1*        A  56  16.615   2.086  -2.817
  603    H8     A  56           H8         A  56  13.170   0.507  -2.350
  604   1H6     A  56          1H6         A  56  12.709   3.962   2.747
  605   2H6     A  56          2H6         A  56  11.851   2.924   1.629
  606    H2     A  56           H2         A  56  16.940   4.259   1.252
  607   1H5*    A  57          1H5*        A  57  19.283  -1.931  -2.155
  608   2H5*    A  57          2H5*        A  57  19.910  -3.549  -1.785
  609    H4*    A  57           H4*        A  57  20.719  -2.168  -0.049
  610    H3*    A  57           H3*        A  57  18.251  -3.665   0.864
  611    H2*    A  57           H2*        A  57  18.394  -2.602   2.950
  612   2HO*    A  57          2HO*        A  57  21.005  -1.660   2.358
  613    H1*    A  57           H1*        A  57  19.357  -0.142   2.050
  614    H8     A  57           H8         A  57  16.346  -1.762   0.247
  615   1H6     A  57          1H6         A  57  12.840   1.504   4.150
  616   2H6     A  57          2H6         A  57  12.836   0.432   2.768
  617    H2     A  57           H2         A  57  17.139   2.094   5.324
  618   1H5*    C  58          1H5*        C  58  20.871  -3.724   3.646
  619   2H5*    C  58          2H5*        C  58  21.577  -5.274   4.143
  620    H4*    C  58           H4*        C  58  21.179  -4.270   6.191
  621    H3*    C  58           H3*        C  58  18.671  -5.840   5.531
  622    H2*    C  58           H2*        C  58  17.718  -5.064   7.536
  623   2HO*    C  58          2HO*        C  58  18.961  -4.247   9.239
  624    H1*    C  58           H1*        C  58  18.924  -2.531   7.536
  625   1H4     C  58          1H4         C  58  12.911  -1.420   5.777
  626   2H4     C  58          2H4         C  58  13.166  -2.241   4.254
  627    H5     C  58           H5         C  58  15.231  -3.332   3.670
  628    H6     C  58           H6         C  58  17.492  -3.896   4.429
  629   1H5*    C  59          1H5*        C  59  19.498  -6.343   9.376
  630   2H5*    C  59          2H5*        C  59  19.095  -7.933  10.054
  631    H4*    C  59           H4*        C  59  17.819  -6.106  11.123
  632    H3*    C  59           H3*        C  59  16.259  -8.142   9.516
  633    H2*    C  59           H2*        C  59  14.283  -6.997   9.993
  634   2HO*    C  59          2HO*        C  59  15.691  -6.082  12.278
  635    H1*    C  59           H1*        C  59  15.425  -4.410  10.274
  636   1H4     C  59          1H4         C  59  11.910  -4.022   4.997
  637   2H4     C  59          2H4         C  59  12.980  -5.123   4.153
  638    H5     C  59           H5         C  59  14.863  -6.204   5.206
  639    H6     C  59           H6         C  59  16.103  -6.489   7.303
  640   1H5*    G  60          1H5*        G  60  15.217  -8.128  14.232
  641   2H5*    G  60          2H5*        G  60  14.792  -9.829  14.514
  642    H4*    G  60           H4*        G  60  13.220  -8.303  15.634
  643    H3*    G  60           H3*        G  60  12.153 -10.016  13.386
  644    H2*    G  60           H2*        G  60  10.029  -9.043  13.609
  645   2HO*    G  60          2HO*        G  60   9.582  -7.692  15.519
  646    H1*    G  60           H1*        G  60  10.828  -6.462  14.208
  647    H8     G  60           H8         G  60  12.915  -7.904  11.397
  648    H1     G  60           H1         G  60   7.277  -5.592   9.442
  649   1H2     G  60          1H2         G  60   5.997  -5.125  11.198
  650   2H2     G  60          2H2         G  60   6.530  -5.383  12.844
  651   1H5*    G  61          1H5*        G  61   9.091  -9.695  15.741
  652   2H5*    G  61          2H5*        G  61   8.854 -11.226  16.605
  653    H4*    G  61           H4*        G  61   6.688 -10.671  15.953
  654    H3*    G  61           H3*        G  61   7.876 -12.503  13.863
  655    H2*    G  61           H2*        G  61   5.995 -12.245  12.517
  656   2HO*    G  61          2HO*        G  61   4.269 -11.072  14.303
  657    H1*    G  61           H1*        G  61   5.234  -9.657  13.390
  658    H8     G  61           H8         G  61   8.800  -9.967  12.072
  659    H1     G  61           H1         G  61   4.432  -8.978   7.502
  660   1H2     G  61          1H2         G  61   2.389  -9.125   8.358
  661   2H2     G  61          2H2         G  61   2.102  -9.469  10.049
  662   1H5*    G  62          1H5*        G  62   3.906 -13.307  14.092
  663   2H5*    G  62          2H5*        G  62   3.684 -14.953  14.717
  664    H4*    G  62           H4*        G  62   2.192 -14.794  12.896
  665    H3*    G  62           H3*        G  62   4.733 -16.210  12.091
  666    H2*    G  62           H2*        G  62   4.076 -16.263   9.864
  667   2HO*    G  62          2HO*        G  62   1.848 -16.184   9.263
  668    H1*    G  62           H1*        G  62   2.366 -13.990   9.878
  669    H8     G  62           H8         G  62   6.072 -13.732  10.918
  670    H1     G  62           H1         G  62   4.942 -12.535   4.733
  671   1H2     G  62          1H2         G  62   2.813 -12.933   4.254
  672   2H2     G  62          2H2         G  62   1.669 -13.492   5.455
  673   1H5*    G  63          1H5*        G  63   4.416 -20.527  10.804
  674   2H5*    G  63          2H5*        G  63   5.852 -19.703  10.164
  675    H4*    G  63           H4*        G  63   3.013 -19.648   9.157
  676    H3*    G  63           H3*        G  63   5.687 -20.396   8.043
  677    H2*    G  63           H2*        G  63   5.367 -19.287   6.007
  678   2HO*    G  63          2HO*        G  63   2.838 -18.447   6.053
  679    H1*    G  63           H1*        G  63   4.043 -17.067   6.855
  680    H8     G  63           H8         G  63   6.450 -17.487   9.622
  681    H1     G  63           H1         G  63   9.416 -15.741   4.225
  682   1H2     G  63          1H2         G  63   8.038 -15.911   2.514
  683   2H2     G  63          2H2         G  63   6.392 -16.474   2.687
  684   1H5*    A  64          1H5*        A  64   6.791 -24.226   7.331
  685   2H5*    A  64          2H5*        A  64   7.403 -22.583   7.060
  686    H4*    A  64           H4*        A  64   8.208 -24.511   5.509
  687    H3*    A  64           H3*        A  64   7.457 -21.727   4.750
  688    H2*    A  64           H2*        A  64   7.239 -22.159   2.468
  689   2HO*    A  64          2HO*        A  64   8.170 -24.593   2.054
  690    H1*    A  64           H1*        A  64   6.254 -24.708   2.495
  691    H8     A  64           H8         A  64   4.686 -22.615   5.269
  692   1H6     A  64          1H6         A  64   0.454 -20.930   1.108
  693   2H6     A  64          2H6         A  64   0.911 -20.888   2.796
  694    H2     A  64           H2         A  64   3.682 -23.188  -1.052
  695   1H5*    A  65          1H5*        A  65  10.426 -19.102   2.557
  696   2H5*    A  65          2H5*        A  65   8.835 -18.399   2.908
  697    H4*    A  65           H4*        A  65   9.767 -19.961   0.560
  698    H3*    A  65           H3*        A  65   7.988 -17.615   1.070
  699    H2*    A  65           H2*        A  65   6.353 -18.234  -0.467
  700   2HO*    A  65          2HO*        A  65   8.315 -19.935  -1.646
  701    H1*    A  65           H1*        A  65   6.417 -20.956  -0.250
  702    H8     A  65           H8         A  65   6.622 -20.227   3.304
  703   1H6     A  65          1H6         A  65   0.682 -18.541   3.231
  704   2H6     A  65          2H6         A  65   2.040 -18.981   4.243
  705    H2     A  65           H2         A  65   2.126 -18.704  -1.024
  706   1H5*    A  66          1H5*        A  66   8.331 -15.893  -3.860
  707   2H5*    A  66          2H5*        A  66   8.280 -14.470  -2.801
  708    H4*    A  66           H4*        A  66   6.293 -15.189  -4.527
  709    H3*    A  66           H3*        A  66   6.296 -13.525  -2.029
  710    H2*    A  66           H2*        A  66   3.954 -13.557  -1.846
  711   2HO*    A  66          2HO*        A  66   3.450 -14.807  -4.284
  712    H1*    A  66           H1*        A  66   3.472 -16.126  -2.600
  713    H8     A  66           H8         A  66   6.677 -15.748  -0.535
  714   1H6     A  66          1H6         A  66   3.126 -16.670   4.429
  715   2H6     A  66          2H6         A  66   4.772 -16.517   3.847
  716    H2     A  66           H2         A  66   0.422 -16.277   0.842
  717   1H5*    C  67          1H5*        C  67   3.968 -11.467  -4.148
  718   2H5*    C  67          2H5*        C  67   3.936  -9.697  -4.018
  719    H4*    C  67           H4*        C  67   2.027 -10.854  -2.872
  720    H3*    C  67           H3*        C  67   3.914  -9.105  -1.280
  721    H2*    C  67           H2*        C  67   2.708  -9.571   0.680
  722   2HO*    C  67          2HO*        C  67   0.595 -10.670   0.484
  723    H1*    C  67           H1*        C  67   2.081 -12.221   0.120
  724   1H4     C  67          1H4         C  67   7.025 -12.387   4.138
  725   2H4     C  67          2H4         C  67   8.127 -12.020   2.829
  726    H5     C  67           H5         C  67   7.396 -11.557   0.581
  727    H6     C  67           H6         C  67   5.449 -11.302  -0.886
  728   1H5*    U  68          1H5*        U  68   0.539  -8.293   0.079
  729   2H5*    U  68          2H5*        U  68  -0.021  -6.610   0.039
  730    H4*    U  68           H4*        U  68  -0.275  -7.379   2.286
  731    H3*    U  68           H3*        U  68   2.134  -5.580   1.947
  732    H2*    U  68           H2*        U  68   2.642  -5.842   4.225
  733   2HO*    U  68          2HO*        U  68  -0.090  -6.569   4.481
  734    H1*    U  68           H1*        U  68   1.722  -8.478   4.506
  735    H3     U  68           H3         U  68   6.105  -8.835   5.554
  736    H5     U  68           H5         U  68   6.105  -8.136   1.396
  737    H6     U  68           H6         U  68   3.707  -7.780   1.522
  738   1H5*    U  69          1H5*        U  69   0.211  -4.830   5.020
  739   2H5*    U  69          2H5*        U  69  -0.528  -3.267   5.417
  740    H4*    U  69           H4*        U  69   0.558  -3.844   7.400
  741    H3*    U  69           H3*        U  69   2.462  -2.126   5.784
  742    H2*    U  69           H2*        U  69   4.048  -2.365   7.480
  743   2HO*    U  69          2HO*        U  69   2.632  -3.520   9.477
  744    H1*    U  69           H1*        U  69   3.262  -4.943   8.339
  745    H3     U  69           H3         U  69   7.571  -5.739   7.275
  746    H5     U  69           H5         U  69   5.858  -4.594   3.602
  747    H6     U  69           H6         U  69   3.796  -4.117   4.785
  748   1H5*    G  70          1H5*        G  70   2.383  -1.170   9.411
  749   2H5*    G  70          2H5*        G  70   2.442   0.500  10.009
  750    H4*    G  70           H4*        G  70   4.299  -0.643  10.968
  751    H3*    G  70           H3*        G  70   5.167   1.097   8.642
  752    H2*    G  70           H2*        G  70   7.357   0.372   8.972
  753   2HO*    G  70          2HO*        G  70   6.527  -0.022  11.652
  754    H1*    G  70           H1*        G  70   6.707  -2.143  10.152
  755    H8     G  70           H8         G  70   5.614  -1.194   6.556
  756    H1     G  70           H1         G  70  11.175  -4.331   7.025
  757   1H2     G  70          1H2         G  70  11.713  -4.592   9.164
  758   2H2     G  70          2H2         G  70  10.703  -3.997  10.462
  759   1H5*    G  71          1H5*        G  71   7.082   2.245  12.967
  760   2H5*    G  71          2H5*        G  71   7.059   4.013  12.819
  761    H4*    G  71           H4*        G  71   9.125   3.490  13.850
  762    H3*    G  71           H3*        G  71   9.440   4.101  10.916
  763    H2*    G  71           H2*        G  71  11.739   3.571  10.987
  764   2HO*    G  71          2HO*        G  71  11.435   3.811  13.799
  765    H1*    G  71           H1*        G  71  11.595   1.347  12.536
  766    H8     G  71           H8         G  71   8.522   1.650  10.297
  767    H1     G  71           H1         G  71  13.587  -0.924   7.346
  768   1H2     G  71          1H2         G  71  15.362  -0.826   8.673
  769   2H2     G  71          2H2         G  71  15.312  -0.103  10.264
  770   1H5*    U  72          1H5*        U  72  12.916   5.998  12.796
  771   2H5*    U  72          2H5*        U  72  12.746   7.704  12.339
  772    H4*    U  72           H4*        U  72  15.013   6.986  11.893
  773    H3*    U  72           H3*        U  72  13.319   7.413   9.423
  774    H2*    U  72           H2*        U  72  15.134   6.795   8.073
  775   2HO*    U  72          2HO*        U  72  16.714   7.364  10.363
  776    H1*    U  72           H1*        U  72  16.197   4.836   9.735
  777    H3     U  72           H3         U  72  14.884   2.546   6.049
  778    H5     U  72           H5         U  72  11.264   3.634   7.918
  779    H6     U  72           H6         U  72  12.554   4.941   9.504
  780   1H5*    U  73          1H5*        U  73  17.040   8.897   9.152
  781   2H5*    U  73          2H5*        U  73  17.176  10.636   8.819
  782    H4*    U  73           H4*        U  73  18.819   9.601   7.470
  783    H3*    U  73           H3*        U  73  16.357  10.290   5.858
  784    H2*    U  73           H2*        U  73  17.338   9.340   3.936
  785   2HO*    U  73          2HO*        U  73  19.478   9.128   3.657
  786    H1*    U  73           H1*        U  73  18.497   7.164   5.144
  787    H3     U  73           H3         U  73  15.168   5.200   2.844
  788    H5     U  73           H5         U  73  13.145   7.329   5.867
  789    H6     U  73           H6         U  73  15.276   8.296   6.516
  790   1H5*    C  74          1H5*        C  74  19.702  11.191   3.425
  791   2H5*    C  74          2H5*        C  74  19.354  12.675   2.515
  792    H4*    C  74           H4*        C  74  19.866  10.682   1.082
  793    H3*    C  74           H3*        C  74  17.126  11.970   0.818
  794    H2*    C  74           H2*        C  74  16.696  10.465  -0.954
  795   2HO*    C  74          2HO*        C  74  19.516  10.107  -0.998
  796    H1*    C  74           H1*        C  74  18.050   8.283   0.157
  797   1H4     C  74          1H4         C  74  11.924   7.024   1.263
  798   2H4     C  74          2H4         C  74  11.872   8.232   2.527
  799    H5     C  74           H5         C  74  13.737   9.666   3.061
  800    H6     C  74           H6         C  74  16.033  10.279   2.464
  801   1H5*    U  75          1H5*        U  75  18.862  12.380  -2.707
  802   2H5*    U  75          2H5*        U  75  18.398  13.666  -3.834
  803    H4*    U  75           H4*        U  75  17.581  11.459  -4.563
  804    H3*    U  75           H3*        U  75  15.460  13.472  -3.754
  805    H2*    U  75           H2*        U  75  13.833  11.892  -4.318
  806   2HO*    U  75          2HO*        U  75  15.833  10.893  -6.046
  807    H1*    U  75           H1*        U  75  15.398   9.586  -3.752
  808    H3     U  75           H3         U  75  11.674   8.865  -1.286
  809    H5     U  75           H5         U  75  13.646  12.010   0.710
  810    H6     U  75           H6         U  75  15.207  12.122  -1.145
  811   1H5*    U  76          1H5*        U  76  15.109  12.450  -8.028
  812   2H5*    U  76          2H5*        U  76  14.708  13.855  -9.037
  813    H4*    U  76           H4*        U  76  13.208  12.005  -9.536
  814    H3*    U  76           H3*        U  76  12.008  14.422  -8.197
  815    H2*    U  76           H2*        U  76   9.940  13.373  -7.941
  816   2HO*    U  76          2HO*        U  76   9.807  11.213  -9.293
  817    H1*    U  76           H1*        U  76  10.797  10.728  -7.665
  818    H3     U  76           H3         U  76   8.687  11.514  -3.730
  819    H5     U  76           H5         U  76  12.230  13.781  -3.473
  820    H6     U  76           H6         U  76  12.686  13.213  -5.787
  821   1H5*    C  77          1H5*        C  77   8.246  15.715 -11.575
  822   2H5*    C  77          2H5*        C  77   8.272  16.228  -9.876
  823    H4*    C  77           H4*        C  77   6.702  14.019 -11.183
  824    H3*    C  77           H3*        C  77   6.085  16.389  -9.440
  825    H2*    C  77           H2*        C  77   4.486  15.224  -8.191
  826   2HO*    C  77          2HO*        C  77   3.155  14.264  -9.564
  827    H1*    C  77           H1*        C  77   5.662  12.737  -8.132
  828   1H4     C  77          1H4         C  77   7.125  15.726  -2.662
  829   2H4     C  77          2H4         C  77   8.638  16.233  -3.379
  830    H5     C  77           H5         C  77   9.190  15.861  -5.693
  831    H6     C  77           H6         C  77   8.406  14.935  -7.822
  832   1H5*    C  78          1H5*        C  78   1.356  18.216 -11.195
  833   2H5*    C  78          2H5*        C  78   2.261  18.436  -9.685
  834    H4*    C  78           H4*        C  78  -0.090  16.614 -10.226
  835    H3*    C  78           H3*        C  78   0.354  19.063  -8.606
  836    H2*    C  78           H2*        C  78  -0.399  18.205  -6.585
  837   2HO*    C  78          2HO*        C  78  -1.762  16.169  -8.044
  838    H1*    C  78           H1*        C  78   0.281  15.555  -6.797
  839   1H4     C  78          1H4         C  78   4.887  18.443  -3.391
  840   2H4     C  78          2H4         C  78   5.880  18.406  -4.829
  841    H5     C  78           H5         C  78   5.060  17.735  -6.984
  842    H6     C  78           H6         C  78   3.112  16.941  -8.238
  843   1H5*    U  79          1H5*        U  79  -3.630  18.722  -8.065
  844   2H5*    U  79          2H5*        U  79  -4.630  20.051  -8.685
  845    H4*    U  79           H4*        U  79  -5.087  19.822  -6.340
  846    H3*    U  79           H3*        U  79  -3.431  22.227  -7.077
  847    H2*    U  79           H2*        U  79  -3.010  22.753  -4.859
  848   2HO*    U  79          2HO*        U  79  -4.489  21.878  -3.178
  849    H1*    U  79           H1*        U  79  -3.298  20.167  -3.725
  850    H3     U  79           H3         U  79   0.774  21.368  -2.219
  851    H5     U  79           H5         U  79   1.337  20.894  -6.374
  852    H6     U  79           H6         U  79  -1.059  20.564  -6.589
  853   1H5*    A  80          1H5*        A  80  -6.824  25.480  -4.285
  854   2H5*    A  80          2H5*        A  80  -5.481  26.248  -5.156
  855    H4*    A  80           H4*        A  80  -5.674  25.371  -2.309
  856    H3*    A  80           H3*        A  80  -5.323  27.848  -3.535
  857    H2*    A  80           H2*        A  80  -3.095  27.621  -4.204
  858   2HO*    A  80          2HO*        A  80  -2.196  28.951  -2.862
  859    H1*    A  80           H1*        A  80  -2.356  25.870  -1.887
  860    H8     A  80           H8         A  80  -2.551  25.654  -5.785
  861   1H6     A  80          1H6         A  80   3.377  23.956  -5.428
  862   2H6     A  80          2H6         A  80   2.034  24.270  -6.504
  863    H2     A  80           H2         A  80   1.900  24.703  -1.252
  864   1H5*    A  81          1H5*        A  81  -7.080  27.296   0.654
  865   2H5*    A  81          2H5*        A  81  -7.675  28.883   1.183
  866    H4*    A  81           H4*        A  81  -7.363  27.902   3.229
  867    H3*    A  81           H3*        A  81  -4.835  29.298   2.468
  868    H2*    A  81           H2*        A  81  -3.507  28.218   4.046
  869   2HO*    A  81          2HO*        A  81  -5.193  26.907   5.636
  870    H1*    A  81           H1*        A  81  -4.707  25.746   4.141
  871    H8     A  81           H8         A  81  -4.603  26.345   0.505
  872   1H6     A  81          1H6         A  81   1.429  25.031   0.603
  873   2H6     A  81          2H6         A  81   0.025  25.271  -0.411
  874    H2     A  81           H2         A  81   0.070  25.598   4.852
  875   1H5*    G  82          1H5*        G  82  -3.286  31.854   6.539
  876   2H5*    G  82          2H5*        G  82  -2.557  31.932   4.921
  877    H4*    G  82           H4*        G  82  -1.860  30.205   7.261
  878    H3*    G  82           H3*        G  82  -0.388  31.886   5.264
  879    H2*    G  82           H2*        G  82   1.380  30.369   5.044
  880   2HO*    G  82          2HO*        G  82   0.499  29.415   7.560
  881    H1*    G  82           H1*        G  82   0.018  28.007   5.205
  882    H8     G  82           H8         G  82  -2.262  30.093   3.144
  883    H1     G  82           H1         G  82   2.934  28.284  -0.135
  884   1H2     G  82          1H2         G  82   4.453  27.452   1.252
  885   2H2     G  82          2H2         G  82   4.189  27.342   2.977
  886   1H5*    U  83          1H5*        U  83   2.475  31.566   8.094
  887   2H5*    U  83          2H5*        U  83   3.119  33.094   8.731
  888    H4*    U  83           H4*        U  83   4.941  31.821   7.795
  889    H3*    U  83           H3*        U  83   4.110  34.271   6.266
  890    H2*    U  83           H2*        U  83   5.518  33.782   4.467
  891   2HO*    U  83          2HO*        U  83   6.915  31.729   5.770
  892    H1*    U  83           H1*        U  83   5.366  31.023   4.487
  893    H3     U  83           H3         U  83   3.424  32.349   0.581
  894    H5     U  83           H5         U  83   0.466  32.960   3.522
  895    H6     U  83           H6         U  83   2.133  32.451   5.211
  896   1H5*    C  84          1H5*        C  84   8.122  34.166   6.326
  897   2H5*    C  84          2H5*        C  84   9.003  35.633   6.798
  898    H4*    C  84           H4*        C  84   9.811  34.864   4.644
  899    H3*    C  84           H3*        C  84   8.192  37.410   4.615
  900    H2*    C  84           H2*        C  84   8.272  37.513   2.287
  901   2HO*    C  84          2HO*        C  84  10.329  35.584   2.109
  902    H1*    C  84           H1*        C  84   8.371  34.761   1.745
  903   1H4     C  84          1H4         C  84   2.483  36.500   0.114
  904   2H4     C  84          2H4         C  84   2.036  36.688   1.794
  905    H5     C  84           H5         C  84   3.593  36.415   3.612
  906    H6     C  84           H6         C  84   5.919  35.923   4.210
  907   1H5*    C  85          1H5*        C  85  11.761  37.855   2.272
  908   2H5*    C  85          2H5*        C  85  12.688  39.265   2.821
  909    H4*    C  85           H4*        C  85  12.642  39.320   0.425
  910    H3*    C  85           H3*        C  85  10.831  41.347   1.733
  911    H2*    C  85           H2*        C  85  10.022  42.056  -0.354
  912   2HO*    C  85          2HO*        C  85  11.133  41.292  -2.325
  913    H1*    C  85           H1*        C  85   9.946  39.609  -1.620
  914   1H4     C  85          1H4         C  85   3.988  40.470   0.458
  915   2H4     C  85          2H4         C  85   4.479  40.093   2.094
  916    H5     C  85           H5         C  85   6.759  39.675   2.725
  917    H6     C  85           H6         C  85   9.073  39.530   1.930
  918   1H5*    U  86          1H5*        U  86  12.486  42.796  -1.631
  919   2H5*    U  86          2H5*        U  86  13.020  44.488  -1.562
  920    H4*    U  86           H4*        U  86  11.360  43.979  -3.382
  921    H3*    U  86           H3*        U  86  10.780  46.052  -1.277
  922    H2*    U  86           H2*        U  86   8.601  46.270  -1.955
  923   2HO*    U  86          2HO*        U  86   8.305  45.587  -4.407
  924    H1*    U  86           H1*        U  86   8.476  43.822  -3.527
  925    H3     U  86           H3         U  86   4.397  43.685  -1.646
  926    H5     U  86           H5         U  86   7.017  43.482   1.654
  927    H6     U  86           H6         U  86   8.863  43.852   0.121
  928    H3T    U  86           H3T        U  86  12.175  45.948  -3.472
  929   1HO1  MN6 101          1HO1      MN6 101   6.130 -39.238  -0.852
  930   2HO1  MN6 101          2HO1      MN6 101   6.141 -40.690  -0.262
  931   1HO2  MN6 101          1HO2      MN6 101   2.324 -41.296  -3.150
  932   2HO2  MN6 101          2HO2      MN6 101   3.359 -42.189  -3.918
  933   1HO3  MN6 101          1HO3      MN6 101   5.013 -43.169  -2.751
  934   2HO3  MN6 101          2HO3      MN6 101   4.487 -42.997  -1.285
  935   1HO4  MN6 101          1HO4      MN6 101   5.084 -38.306  -2.517
  936   2HO4  MN6 101          2HO4      MN6 101   4.646 -38.834  -3.927
  937   1HO5  MN6 101          1HO5      MN6 101   6.819 -41.484  -3.434
  938   2HO5  MN6 101          2HO5      MN6 101   5.698 -41.545  -4.527
  939   1HO6  MN6 101          1HO6      MN6 101   3.024 -39.815  -0.756
  940   2HO6  MN6 101          2HO6      MN6 101   3.870 -40.934  -0.056
  941   1HO1  MN6 102          1HO1      MN6 102   3.514 -26.218 -10.474
  942   2HO1  MN6 102          2HO1      MN6 102   2.651 -27.270 -11.251
  943   1HO2  MN6 102          1HO2      MN6 102   7.367 -28.843 -11.525
  944   2HO2  MN6 102          2HO2      MN6 102   6.480 -30.110 -11.780
  945   1HO3  MN6 102          1HO3      MN6 102   5.020 -30.202  -9.271
  946   2HO3  MN6 102          2HO3      MN6 102   3.998 -29.131  -8.756
  947   1HO4  MN6 102          1HO4      MN6 102   5.954 -27.096 -12.836
  948   2HO4  MN6 102          2HO4      MN6 102   6.628 -26.556 -11.527
  949   1HO5  MN6 102          1HO5      MN6 102   6.026 -26.507  -9.351
  950   2HO5  MN6 102          2HO5      MN6 102   6.598 -27.904  -8.927
  951   1HO6  MN6 102          1HO6      MN6 102   3.176 -29.422 -12.020
  952   2HO6  MN6 102          2HO6      MN6 102   4.060 -28.711 -13.102
  953   1HO1  MN6 103          1HO1      MN6 103 -10.281 -16.262   2.777
  954   2HO1  MN6 103          2HO1      MN6 103 -11.358 -15.776   1.745
  955   1HO2  MN6 103          1HO2      MN6 103  -8.331 -16.563  -1.908
  956   2HO2  MN6 103          2HO2      MN6 103  -7.178 -16.925  -0.912
  957   1HO3  MN6 103          1HO3      MN6 103 -11.334 -15.906  -0.887
  958   2HO3  MN6 103          2HO3      MN6 103 -10.865 -14.560  -0.234
  959   1HO4  MN6 103          1HO4      MN6 103  -7.751 -18.294   0.762
  960   2HO4  MN6 103          2HO4      MN6 103  -8.651 -18.121   2.034
  961   1HO5  MN6 103          1HO5      MN6 103 -10.638 -18.508   0.214
  962   2HO5  MN6 103          2HO5      MN6 103  -9.587 -18.514  -0.949
  963   1HO6  MN6 103          1HO6      MN6 103  -8.696 -14.005   0.497
  964   2HO6  MN6 103          2HO6      MN6 103  -9.033 -14.493   1.948
  965   1HO1  MN6 104          1HO1      MN6 104  -9.652   0.702  -0.755
  966   2HO1  MN6 104          2HO1      MN6 104  -9.703  -0.415  -1.854
  967   1HO2  MN6 104          1HO2      MN6 104  -9.924  -2.649   2.674
  968   2HO2  MN6 104          2HO2      MN6 104 -10.817  -3.549   1.752
  969   1HO3  MN6 104          1HO3      MN6 104  -7.606  -1.256   0.109
  970   2HO3  MN6 104          2HO3      MN6 104  -7.904  -2.789   0.241
  971   1HO4  MN6 104          1HO4      MN6 104 -12.478  -2.096   0.263
  972   2HO4  MN6 104          2HO4      MN6 104 -12.327  -0.537   0.330
  973   1HO5  MN6 104          1HO5      MN6 104 -10.685  -3.786  -0.696
  974   2HO5  MN6 104          2HO5      MN6 104  -9.741  -2.998  -1.668
  975   1HO6  MN6 104          1HO6      MN6 104 -10.106  -0.056   2.338
  976   2HO6  MN6 104          2HO6      MN6 104  -8.659  -0.628   2.146
  977   1HO1  MN6 105          1HO1      MN6 105 -14.562  10.800   6.436
  978   2HO1  MN6 105          2HO1      MN6 105 -13.185  10.309   5.872
  979   1HO2  MN6 105          1HO2      MN6 105 -11.442  14.655   6.328
  980   2HO2  MN6 105          2HO2      MN6 105 -12.718  15.141   7.098
  981   1HO3  MN6 105          1HO3      MN6 105 -14.337  13.355   5.008
  982   2HO3  MN6 105          2HO3      MN6 105 -12.871  13.774   4.643
  983   1HO4  MN6 105          1HO4      MN6 105 -10.990  12.167   8.457
  984   2HO4  MN6 105          2HO4      MN6 105 -12.240  12.628   9.283
  985   1HO5  MN6 105          1HO5      MN6 105 -11.414  11.344   5.184
  986   2HO5  MN6 105          2HO5      MN6 105 -10.527  11.559   6.456
  987   1HO6  MN6 105          1HO6      MN6 105 -14.664  14.164   7.292
  988   2HO6  MN6 105          2HO6      MN6 105 -15.218  12.699   7.240
  989   1HO1  MN6 106          1HO1      MN6 106  -0.675  41.928  -1.627
  990   2HO1  MN6 106          2HO1      MN6 106  -1.457  40.824  -0.835
  991   1HO2  MN6 106          1HO2      MN6 106   2.317  41.947   2.314
  992   2HO2  MN6 106          2HO2      MN6 106   1.274  43.074   2.628
  993   1HO3  MN6 106          1HO3      MN6 106   1.680  39.573   1.131
  994   2HO3  MN6 106          2HO3      MN6 106   1.373  39.659  -0.405
  995   1HO4  MN6 106          1HO4      MN6 106  -0.756  43.851   1.007
  996   2HO4  MN6 106          2HO4      MN6 106  -1.812  42.744   0.667
  997   1HO5  MN6 106          1HO5      MN6 106  -0.920  40.485   2.533
  998   2HO5  MN6 106          2HO5      MN6 106  -1.444  39.985   1.142
  999   1HO6  MN6 106          1HO6      MN6 106   1.043  43.538  -0.762
 1000   2HO6  MN6 106          2HO6      MN6 106   2.186  43.309   0.286
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.506  31.306  -6.833
 1002   2HO1  MN6 107          2HO1      MN6 107  -0.734  31.731  -8.129
 1003   1HO2  MN6 107          1HO2      MN6 107  -4.536  28.780  -9.575
 1004   2HO2  MN6 107          2HO2      MN6 107  -3.786  29.343 -10.831
 1005   1HO3  MN6 107          1HO3      MN6 107  -0.274  28.622  -8.611
 1006   2HO3  MN6 107          2HO3      MN6 107  -1.213  27.859  -9.608
 1007   1HO4  MN6 107          1HO4      MN6 107  -4.240  31.471  -9.380
 1008   2HO4  MN6 107          2HO4      MN6 107  -4.448  30.996  -7.900
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.075  30.486 -10.904
 1010   2HO5  MN6 107          2HO5      MN6 107  -2.455  31.222 -11.017
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.887  27.846  -7.624
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.096  28.808  -6.671
 1013   1HO1  MN6 108          1HO1      MN6 108   6.212  13.702   2.059
 1014   2HO1  MN6 108          2HO1      MN6 108   6.479  14.924   1.112
 1015   1HO2  MN6 108          1HO2      MN6 108  10.808  14.960   3.071
 1016   2HO2  MN6 108          2HO2      MN6 108  10.258  16.177   3.893
 1017   1HO3  MN6 108          1HO3      MN6 108   8.308  16.223   0.759
 1018   2HO3  MN6 108          2HO3      MN6 108   8.034  17.235   1.925
 1019   1HO4  MN6 108          1HO4      MN6 108   7.372  12.769   3.602
 1020   2HO4  MN6 108          2HO4      MN6 108   8.936  12.679   3.657
 1021   1HO5  MN6 108          1HO5      MN6 108   8.531  13.207   1.034
 1022   2HO5  MN6 108          2HO5      MN6 108   9.971  13.519   1.568
 1023   1HO6  MN6 108          1HO6      MN6 108   6.605  16.325   3.947
 1024   2HO6  MN6 108          2HO6      MN6 108   7.496  15.709   5.079
 1025   1HO1  MN6 109          1HO1      MN6 109   7.078   2.610   5.879
 1026   2HO1  MN6 109          2HO1      MN6 109   7.770   3.906   5.333
 1027   1HO2  MN6 109          1HO2      MN6 109   9.071   0.944   1.553
 1028   2HO2  MN6 109          2HO2      MN6 109  10.344   1.254   2.414
 1029   1HO3  MN6 109          1HO3      MN6 109   9.001   1.127   5.995
 1030   2HO3  MN6 109          2HO3      MN6 109  10.122   0.724   4.976
 1031   1HO4  MN6 109          1HO4      MN6 109   7.817   3.652   1.998
 1032   2HO4  MN6 109          2HO4      MN6 109   6.476   2.986   2.462
 1033   1HO5  MN6 109          1HO5      MN6 109   9.886   3.781   2.731
 1034   2HO5  MN6 109          2HO5      MN6 109  10.522   3.277   4.073
 1035   1HO6  MN6 109          1HO6      MN6 109   6.773   0.179   3.251
 1036   2HO6  MN6 109          2HO6      MN6 109   7.705  -0.243   4.440
 1037   1HO1  MN6 110          1HO1      MN6 110   7.523 -12.120  10.708
 1038   2HO1  MN6 110          2HO1      MN6 110   8.270 -13.403  11.208
 1039   1HO2  MN6 110          1HO2      MN6 110  11.448 -11.095   7.980
 1040   2HO2  MN6 110          2HO2      MN6 110  12.074 -12.445   8.472
 1041   1HO3  MN6 110          1HO3      MN6 110   9.561 -14.682   9.875
 1042   2HO3  MN6 110          2HO3      MN6 110   8.745 -14.272   8.601
 1043   1HO4  MN6 110          1HO4      MN6 110  10.464  -9.825   9.565
 1044   2HO4  MN6 110          2HO4      MN6 110  11.088 -10.524  10.821
 1045   1HO5  MN6 110          1HO5      MN6 110  11.104 -12.611  11.744
 1046   2HO5  MN6 110          2HO5      MN6 110  12.070 -12.949  10.557
 1047   1HO6  MN6 110          1HO6      MN6 110   8.365 -10.753   8.257
 1048   2HO6  MN6 110          2HO6      MN6 110   8.726 -12.014   7.400
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  10.277 -44.652  -3.424
    2   2H5*    G   1          2H5*        G   1  10.108 -42.888  -3.524
    3    H4*    G   1           H4*        G   1  10.471 -43.852  -5.743
    4    H3*    G   1           H3*        G   1   7.914 -42.451  -5.127
    5    H2*    G   1           H2*        G   1   6.755 -43.231  -6.995
    6   2HO*    G   1          2HO*        G   1   9.251 -43.989  -8.149
    7    H1*    G   1           H1*        G   1   7.752 -45.753  -7.228
    8    H8     G   1           H8         G   1   7.452 -45.308  -3.539
    9    H1     G   1           H1         G   1   1.746 -46.144  -6.329
   10   1H2     G   1          1H2         G   1   1.948 -45.975  -8.532
   11   2H2     G   1          2H2         G   1   3.479 -45.654  -9.316
   12    H5T    G   1           H5T        G   1   7.830 -43.205  -3.439
   13   1H5*    G   2          1H5*        G   2   7.724 -42.001  -8.827
   14   2H5*    G   2          2H5*        G   2   7.936 -40.316  -9.343
   15    H4*    G   2           H4*        G   2   5.926 -41.152 -10.359
   16    H3*    G   2           H3*        G   2   5.471 -39.223  -8.088
   17    H2*    G   2           H2*        G   2   3.178 -39.574  -8.138
   18   2HO*    G   2          2HO*        G   2   3.483 -40.440 -10.838
   19    H1*    G   2           H1*        G   2   3.170 -42.189  -9.250
   20    H8     G   2           H8         G   2   5.156 -41.894  -6.031
   21    H1     G   2           H1         G   2  -1.122 -42.767  -5.121
   22   1H2     G   2          1H2         G   2  -2.203 -42.549  -7.045
   23   2H2     G   2          2H2         G   2  -1.382 -42.198  -8.550
   24   1H5*    G   3          1H5*        G   3   2.880 -38.619 -11.692
   25   2H5*    G   3          2H5*        G   3   2.838 -36.878 -12.030
   26    H4*    G   3           H4*        G   3   0.591 -37.948 -12.095
   27    H3*    G   3           H3*        G   3   1.167 -35.762 -10.100
   28    H2*    G   3           H2*        G   3  -0.935 -36.003  -9.111
   29   2HO*    G   3          2HO*        G   3  -1.648 -37.030 -11.637
   30    H1*    G   3           H1*        G   3  -1.274 -38.747  -9.476
   31    H8     G   3           H8         G   3   2.123 -37.647  -8.055
   32    H1     G   3           H1         G   3  -2.415 -38.637  -3.647
   33   1H2     G   3          1H2         G   3  -4.371 -38.993  -4.646
   34   2H2     G   3          2H2         G   3  -4.552 -38.982  -6.385
   35   1H5*    A   4          1H5*        A   4  -2.476 -35.439 -11.263
   36   2H5*    A   4          2H5*        A   4  -2.880 -34.004 -12.227
   37    H4*    A   4           H4*        A   4  -4.668 -34.252 -10.703
   38    H3*    A   4           H3*        A   4  -2.724 -32.121  -9.843
   39    H2*    A   4           H2*        A   4  -3.780 -31.837  -7.787
   40   2HO*    A   4          2HO*        A   4  -6.014 -32.799  -7.560
   41    H1*    A   4           H1*        A   4  -4.735 -34.438  -7.402
   42    H8     A   4           H8         A   4  -1.030 -33.846  -8.345
   43   1H6     A   4          1H6         A   4   0.061 -34.165  -2.275
   44   2H6     A   4          2H6         A   4   0.785 -34.036  -3.862
   45    H2     A   4           H2         A   4  -4.390 -34.323  -2.890
   46   1H5*    U   5          1H5*        U   5  -6.589 -30.840  -8.815
   47   2H5*    U   5          2H5*        U   5  -6.808 -29.127  -9.223
   48    H4*    U   5           H4*        U   5  -7.256 -29.643  -6.825
   49    H3*    U   5           H3*        U   5  -5.100 -27.694  -7.600
   50    H2*    U   5           H2*        U   5  -4.308 -27.519  -5.426
   51   2HO*    U   5          2HO*        U   5  -6.973 -28.154  -4.726
   52    H1*    U   5           H1*        U   5  -5.101 -30.046  -4.443
   53    H3     U   5           H3         U   5  -0.703 -30.355  -3.595
   54    H5     U   5           H5         U   5  -0.855 -29.993  -7.791
   55    H6     U   5           H6         U   5  -3.253 -29.667  -7.610
   56   1H5*    A   6          1H5*        A   6  -8.158 -23.868  -4.877
   57   2H5*    A   6          2H5*        A   6  -6.446 -23.398  -4.803
   58    H4*    A   6           H4*        A   6  -7.804 -25.089  -2.685
   59    H3*    A   6           H3*        A   6  -8.343 -22.360  -3.071
   60    H2*    A   6           H2*        A   6  -6.292 -21.478  -2.410
   61   2HO*    A   6          2HO*        A   6  -7.552 -20.860  -0.670
   62    H1*    A   6           H1*        A   6  -5.686 -23.727  -0.521
   63    H8     A   6           H8         A   6  -4.197 -22.410  -3.875
   64   1H6     A   6          1H6         A   6   0.979 -21.551  -0.618
   65   2H6     A   6          2H6         A   6   0.241 -21.435  -2.199
   66    H2     A   6           H2         A   6  -2.174 -23.088   2.185
   67   1H5*    U   7          1H5*        U   7 -10.635 -21.919   2.590
   68   2H5*    U   7          2H5*        U   7  -9.915 -20.735   1.480
   69    H4*    U   7           H4*        U   7  -8.754 -21.180   3.757
   70    H3*    U   7           H3*        U   7  -7.586 -20.675   1.125
   71    H2*    U   7           H2*        U   7  -5.955 -22.282   1.211
   72   2HO*    U   7          2HO*        U   7  -4.246 -21.809   2.469
   73    H1*    U   7           H1*        U   7  -6.314 -22.896   4.109
   74    H3     U   7           H3         U   7  -7.344 -27.445   2.505
   75    H5     U   7           H5         U   7  -3.667 -25.909   1.134
   76    H6     U   7           H6         U   7  -4.373 -23.718   1.901
   77   1H5*    G   8          1H5*        G   8  -3.788 -21.295   4.214
   78   2H5*    G   8          2H5*        G   8  -3.854 -20.300   5.683
   79    H4*    G   8           H4*        G   8  -1.683 -19.901   5.084
   80    H3*    G   8           H3*        G   8  -3.385 -17.855   3.724
   81    H2*    G   8           H2*        G   8  -1.743 -17.192   2.221
   82   2HO*    G   8          2HO*        G   8  -0.210 -16.906   4.018
   83    H1*    G   8           H1*        G   8  -0.345 -19.559   1.896
   84    H8     G   8           H8         G   8  -4.048 -20.249   1.652
   85    H1     G   8           H1         G   8  -1.578 -17.871  -3.752
   86   1H2     G   8          1H2         G   8   0.489 -17.161  -3.396
   87   2H2     G   8          2H2         G   8   1.264 -17.271  -1.833
   88   1H5*    G   9          1H5*        G   9  -4.241 -14.113   4.212
   89   2H5*    G   9          2H5*        G   9  -3.883 -15.726   3.563
   90    H4*    G   9           H4*        G   9  -1.759 -13.644   3.293
   91    H3*    G   9           H3*        G   9  -4.378 -13.563   1.786
   92    H2*    G   9           H2*        G   9  -3.209 -13.062  -0.212
   93   2HO*    G   9          2HO*        G   9  -0.689 -12.954   0.997
   94    H1*    G   9           H1*        G   9  -1.197 -14.858   0.133
   95    H8     G   9           H8         G   9  -3.839 -16.966   1.444
   96    H1     G   9           H1         G   9  -4.887 -15.747  -4.758
   97   1H2     G   9          1H2         G   9  -3.593 -14.071  -5.427
   98   2H2     G   9          2H2         G   9  -2.478 -13.258  -4.353
   99   1H5*    A  10          1H5*        A  10  -0.427 -10.357  -0.054
  100   2H5*    A  10          2H5*        A  10  -1.094  -8.839   0.578
  101    H4*    A  10           H4*        A  10  -0.907  -8.951  -1.933
  102    H3*    A  10           H3*        A  10  -3.575  -8.461  -0.600
  103    H2*    A  10           H2*        A  10  -4.659  -8.497  -2.658
  104   2HO*    A  10          2HO*        A  10  -2.789  -8.348  -4.517
  105    H1*    A  10           H1*        A  10  -2.843 -10.186  -4.036
  106    H8     A  10           H8         A  10  -4.497 -11.404  -0.773
  107   1H6     A  10          1H6         A  10  -8.796 -13.912  -4.430
  108   2H6     A  10          2H6         A  10  -8.213 -13.766  -2.788
  109    H2     A  10           H2         A  10  -6.041 -11.467  -7.007
  110   1H5*    A  11          1H5*        A  11  -2.057  -5.737  -3.798
  111   2H5*    A  11          2H5*        A  11  -2.693  -4.083  -3.721
  112    H4*    A  11           H4*        A  11  -2.794  -5.155  -5.998
  113    H3*    A  11           H3*        A  11  -5.329  -4.178  -4.664
  114    H2*    A  11           H2*        A  11  -6.574  -4.886  -6.530
  115   2HO*    A  11          2HO*        A  11  -5.045  -5.684  -8.407
  116    H1*    A  11           H1*        A  11  -5.114  -7.178  -7.106
  117    H8     A  11           H8         A  11  -5.856  -6.803  -3.377
  118   1H6     A  11          1H6         A  11 -11.190  -9.698  -4.562
  119   2H6     A  11          2H6         A  11 -10.140  -9.077  -3.307
  120    H2     A  11           H2         A  11  -9.209  -8.778  -8.488
  121   1H5*    G  12          1H5*        G  12  -5.206  -1.739  -8.411
  122   2H5*    G  12          2H5*        G  12  -5.904  -0.156  -8.011
  123    H4*    G  12           H4*        G  12  -7.116  -1.410  -9.822
  124    H3*    G  12           H3*        G  12  -8.570  -0.616  -7.290
  125    H2*    G  12           H2*        G  12 -10.541  -1.607  -8.113
  126   2HO*    G  12          2HO*        G  12  -9.989  -2.369 -10.587
  127    H1*    G  12           H1*        G  12  -9.366  -3.767  -9.388
  128    H8     G  12           H8         G  12  -7.840  -3.219  -5.952
  129    H1     G  12           H1         G  12 -13.424  -6.339  -5.808
  130   1H2     G  12          1H2         G  12 -14.381  -6.275  -7.812
  131   2H2     G  12          2H2         G  12 -13.646  -5.465  -9.176
  132   1H5*    A  13          1H5*        A  13 -10.981   0.418 -10.110
  133   2H5*    A  13          2H5*        A  13 -11.366   2.142 -10.274
  134    H4*    A  13           H4*        A  13 -13.469   1.136 -10.313
  135    H3*    A  13           H3*        A  13 -12.846   2.033  -7.500
  136    H2*    A  13           H2*        A  13 -14.802   1.036  -6.687
  137   2HO*    A  13          2HO*        A  13 -16.441   0.304  -8.298
  138    H1*    A  13           H1*        A  13 -14.893  -1.164  -8.384
  139    H8     A  13           H8         A  13 -11.529  -0.266  -6.707
  140   1H6     A  13          1H6         A  13 -13.149  -4.369  -2.384
  141   2H6     A  13          2H6         A  13 -11.875  -3.323  -2.969
  142    H2     A  13           H2         A  13 -16.631  -3.862  -5.185
  143   1H5*    A  14          1H5*        A  14 -17.051   3.392  -8.460
  144   2H5*    A  14          2H5*        A  14 -17.171   5.023  -7.768
  145    H4*    A  14           H4*        A  14 -19.005   3.539  -7.014
  146    H3*    A  14           H3*        A  14 -17.056   4.601  -4.967
  147    H2*    A  14           H2*        A  14 -18.115   3.392  -3.259
  148   2HO*    A  14          2HO*        A  14 -20.255   4.099  -3.963
  149    H1*    A  14           H1*        A  14 -18.761   1.120  -4.702
  150    H8     A  14           H8         A  14 -15.233   2.598  -5.215
  151   1H6     A  14          1H6         A  14 -13.466  -1.263  -0.735
  152   2H6     A  14          2H6         A  14 -12.930  -0.106  -1.931
  153    H2     A  14           H2         A  14 -17.945  -1.505  -1.082
  154   1H5*    C  15          1H5*        C  15 -21.261   5.572  -3.481
  155   2H5*    C  15          2H5*        C  15 -21.108   7.132  -2.646
  156    H4*    C  15           H4*        C  15 -22.137   5.323  -1.254
  157    H3*    C  15           H3*        C  15 -19.564   6.628  -0.346
  158    H2*    C  15           H2*        C  15 -19.509   5.236   1.538
  159   2HO*    C  15          2HO*        C  15 -21.267   4.629   2.563
  160    H1*    C  15           H1*        C  15 -20.678   2.968   0.379
  161   1H4     C  15          1H4         C  15 -14.492   1.547   0.771
  162   2H4     C  15          2H4         C  15 -14.119   2.676  -0.512
  163    H5     C  15           H5         C  15 -15.769   4.087  -1.550
  164    H6     C  15           H6         C  15 -18.126   4.757  -1.556
  165   1H5*    C  16          1H5*        C  16 -21.619   6.655   2.828
  166   2H5*    C  16          2H5*        C  16 -21.775   8.160   3.756
  167    H4*    C  16           H4*        C  16 -20.768   6.612   5.236
  168    H3*    C  16           H3*        C  16 -18.724   8.479   4.028
  169    H2*    C  16           H2*        C  16 -16.984   7.319   5.047
  170   2HO*    C  16          2HO*        C  16 -17.214   6.219   6.968
  171    H1*    C  16           H1*        C  16 -18.206   4.773   5.177
  172   1H4     C  16          1H4         C  16 -13.600   4.068   0.870
  173   2H4     C  16          2H4         C  16 -14.357   5.224  -0.203
  174    H5     C  16           H5         C  16 -16.374   6.424   0.358
  175    H6     C  16           H6         C  16 -18.076   6.797   2.083
  176   1H5*    G  17          1H5*        G  17 -19.239   8.443   8.892
  177   2H5*    G  17          2H5*        G  17 -18.652  10.054   9.350
  178    H4*    G  17           H4*        G  17 -17.863   8.276  10.888
  179    H3*    G  17           H3*        G  17 -15.819   9.812   9.280
  180    H2*    G  17           H2*        G  17 -14.079   8.527  10.212
  181   2HO*    G  17          2HO*        G  17 -14.253   7.430  12.101
  182    H1*    G  17           H1*        G  17 -15.339   6.091  10.173
  183    H8     G  17           H8         G  17 -16.312   7.849   7.013
  184    H1     G  17           H1         G  17 -10.371   5.491   6.768
  185   1H2     G  17          1H2         G  17  -9.733   4.824   8.794
  186   2H2     G  17          2H2         G  17 -10.764   4.973  10.199
  187   1H5*    G  18          1H5*        G  18 -13.741   9.134  12.385
  188   2H5*    G  18          2H5*        G  18 -13.588  10.621  13.341
  189    H4*    G  18           H4*        G  18 -11.403   9.794  13.281
  190    H3*    G  18           H3*        G  18 -11.736  11.827  11.067
  191    H2*    G  18           H2*        G  18  -9.582  11.380  10.299
  192   2HO*    G  18          2HO*        G  18  -8.469   9.924  12.266
  193    H1*    G  18           H1*        G  18  -9.410   8.687  11.174
  194    H8     G  18           H8         G  18 -12.414   9.190   8.964
  195    H1     G  18           H1         G  18  -6.965   8.635   5.654
  196   1H2     G  18          1H2         G  18  -5.227   8.732   7.031
  197   2H2     G  18          2H2         G  18  -5.407   8.935   8.758
  198   1H5*    G  19          1H5*        G  19  -7.980  12.035  12.437
  199   2H5*    G  19          2H5*        G  19  -7.761  13.552  13.334
  200    H4*    G  19           H4*        G  19  -5.783  13.294  12.068
  201    H3*    G  19           H3*        G  19  -7.688  15.229  10.750
  202    H2*    G  19           H2*        G  19  -6.315  15.413   8.883
  203   2HO*    G  19          2HO*        G  19  -4.182  14.497  10.538
  204    H1*    G  19           H1*        G  19  -5.112  12.857   8.993
  205    H8     G  19           H8         G  19  -8.956  13.318   8.931
  206    H1     G  19           H1         G  19  -6.246  12.335   3.215
  207   1H2     G  19          1H2         G  19  -4.037  12.288   3.419
  208   2H2     G  19          2H2         G  19  -3.231  12.498   4.957
  209   1H5*    G  20          1H5*        G  20  -6.834  19.612  10.269
  210   2H5*    G  20          2H5*        G  20  -8.005  18.838   9.182
  211    H4*    G  20           H4*        G  20  -5.018  19.027   8.964
  212    H3*    G  20           H3*        G  20  -7.377  19.564   7.189
  213    H2*    G  20           H2*        G  20  -6.326  18.703   5.277
  214   2HO*    G  20          2HO*        G  20  -3.814  18.343   6.445
  215    H1*    G  20           H1*        G  20  -5.049  16.564   6.374
  216    H8     G  20           H8         G  20  -8.171  16.435   8.306
  217    H1     G  20           H1         G  20  -9.255  15.043   2.155
  218   1H2     G  20          1H2         G  20  -7.485  15.546   0.941
  219   2H2     G  20          2H2         G  20  -6.036  16.238   1.632
  220   1H5*    A  21          1H5*        A  21  -8.837  22.936   6.257
  221   2H5*    A  21          2H5*        A  21  -8.982  21.383   5.410
  222    H4*    A  21           H4*        A  21  -9.507  23.668   4.182
  223    H3*    A  21           H3*        A  21  -8.273  21.164   3.132
  224    H2*    A  21           H2*        A  21  -7.389  22.139   1.203
  225   2HO*    A  21          2HO*        A  21  -8.194  24.447   0.747
  226    H1*    A  21           H1*        A  21  -6.691  24.607   2.137
  227    H8     A  21           H8         A  21  -5.913  21.993   4.786
  228   1H6     A  21          1H6         A  21  -0.504  21.193   1.920
  229   2H6     A  21          2H6         A  21  -1.451  20.806   3.338
  230    H2     A  21           H2         A  21  -3.056  23.831  -0.670
  231   1H5*    A  22          1H5*        A  22 -10.058  18.733  -0.198
  232   2H5*    A  22          2H5*        A  22  -8.508  18.227   0.503
  233    H4*    A  22           H4*        A  22  -9.089  20.341  -1.544
  234    H3*    A  22           H3*        A  22  -7.337  17.954  -1.337
  235    H2*    A  22           H2*        A  22  -5.366  18.984  -1.980
  236   2HO*    A  22          2HO*        A  22  -5.284  20.541  -3.493
  237    H1*    A  22           H1*        A  22  -5.772  21.591  -1.162
  238    H8     A  22           H8         A  22  -6.671  20.218   1.981
  239   1H6     A  22          1H6         A  22  -0.874  18.361   2.967
  240   2H6     A  22          2H6         A  22  -2.427  18.686   3.702
  241    H2     A  22           H2         A  22  -1.300  19.265  -1.413
  242   1H5*    A  23          1H5*        A  23  -6.779  15.630  -5.233
  243   2H5*    A  23          2H5*        A  23  -6.554  14.774  -3.695
  244    H4*    A  23           H4*        A  23  -4.577  15.717  -5.607
  245    H3*    A  23           H3*        A  23  -4.680  13.762  -3.349
  246    H2*    A  23           H2*        A  23  -2.459  14.074  -2.693
  247   2HO*    A  23          2HO*        A  23  -2.086  15.182  -5.288
  248    H1*    A  23           H1*        A  23  -2.187  16.743  -3.053
  249    H8     A  23           H8         A  23  -5.720  15.906  -1.872
  250   1H6     A  23          1H6         A  23  -3.529  16.386   3.877
  251   2H6     A  23          2H6         A  23  -4.974  16.225   2.899
  252    H2     A  23           H2         A  23  -0.032  16.568   1.041
  253   1H5*    C  24          1H5*        C  24  -2.132  11.802  -4.885
  254   2H5*    C  24          2H5*        C  24  -2.328  10.042  -5.008
  255    H4*    C  24           H4*        C  24  -0.931  10.772  -3.068
  256    H3*    C  24           H3*        C  24  -3.503   9.263  -2.534
  257    H2*    C  24           H2*        C  24  -3.055   9.366  -0.231
  258   2HO*    C  24          2HO*        C  24  -0.373   9.889  -1.015
  259    H1*    C  24           H1*        C  24  -1.849  11.885  -0.210
  260   1H4     C  24          1H4         C  24  -7.728  12.682   2.110
  261   2H4     C  24          2H4         C  24  -8.392  12.653   0.491
  262    H5     C  24           H5         C  24  -7.057  12.239  -1.475
  263    H6     C  24           H6         C  24  -4.809  11.720  -2.306
  264   1H5*    U  25          1H5*        U  25  -0.883   7.959  -0.214
  265   2H5*    U  25          2H5*        U  25  -0.520   6.226  -0.144
  266    H4*    U  25           H4*        U  25  -0.923   7.033   2.099
  267    H3*    U  25           H3*        U  25  -3.142   5.315   0.969
  268    H2*    U  25           H2*        U  25  -4.386   5.614   2.920
  269   2HO*    U  25          2HO*        U  25  -2.952   6.648   4.776
  270    H1*    U  25           H1*        U  25  -3.375   8.167   3.626
  271    H3     U  25           H3         U  25  -7.870   8.762   3.501
  272    H5     U  25           H5         U  25  -6.753   8.383  -0.547
  273    H6     U  25           H6         U  25  -4.517   7.806   0.192
  274   1H5*    U  26          1H5*        U  26  -2.548   4.499   4.617
  275   2H5*    U  26          2H5*        U  26  -1.852   2.920   5.032
  276    H4*    U  26           H4*        U  26  -3.456   3.063   6.664
  277    H3*    U  26           H3*        U  26  -4.897   1.885   4.277
  278    H2*    U  26           H2*        U  26  -6.906   1.952   5.473
  279   2HO*    U  26          2HO*        U  26  -6.676   2.457   7.886
  280    H1*    U  26           H1*        U  26  -6.385   4.268   6.964
  281    H3     U  26           H3         U  26  -9.949   5.738   4.642
  282    H5     U  26           H5         U  26  -7.173   4.774   1.626
  283    H6     U  26           H6         U  26  -5.682   3.947   3.349
  284   1H5*    G  27          1H5*        G  27  -5.821   0.085   7.870
  285   2H5*    G  27          2H5*        G  27  -6.415  -1.586   7.809
  286    H4*    G  27           H4*        G  27  -8.043   0.092   8.753
  287    H3*    G  27           H3*        G  27  -8.817  -1.510   6.296
  288    H2*    G  27           H2*        G  27 -10.884  -0.424   6.291
  289   2HO*    G  27          2HO*        G  27 -10.948  -0.918   8.743
  290    H1*    G  27           H1*        G  27  -9.997   1.996   7.488
  291    H8     G  27           H8         G  27  -8.286   0.820   4.249
  292    H1     G  27           H1         G  27 -13.500   4.431   3.377
  293   1H2     G  27          1H2         G  27 -14.513   4.774   5.325
  294   2H2     G  27          2H2         G  27 -13.902   4.118   6.827
  295   1H5*    G  28          1H5*        G  28 -11.845  -2.913   9.508
  296   2H5*    G  28          2H5*        G  28 -11.803  -4.676   9.314
  297    H4*    G  28           H4*        G  28 -14.101  -4.021   9.295
  298    H3*    G  28           H3*        G  28 -13.033  -4.714   6.558
  299    H2*    G  28           H2*        G  28 -15.078  -4.132   5.561
  300   2HO*    G  28          2HO*        G  28 -16.713  -3.577   7.584
  301    H1*    G  28           H1*        G  28 -15.702  -1.958   7.130
  302    H8     G  28           H8         G  28 -12.021  -2.285   6.051
  303    H1     G  28           H1         G  28 -15.712   0.912   1.914
  304   1H2     G  28          1H2         G  28 -17.829   0.849   2.584
  305   2H2     G  28          2H2         G  28 -18.338  -0.008   4.021
  306   1H5*    U  29          1H5*        U  29 -17.082  -6.398   6.912
  307   2H5*    U  29          2H5*        U  29 -16.961  -8.067   6.323
  308    H4*    U  29           H4*        U  29 -18.792  -6.799   5.234
  309    H3*    U  29           H3*        U  29 -16.499  -7.736   3.493
  310    H2*    U  29           H2*        U  29 -17.522  -6.759   1.630
  311   2HO*    U  29          2HO*        U  29 -19.805  -6.131   1.753
  312    H1*    U  29           H1*        U  29 -18.749  -4.605   2.961
  313    H3     U  29           H3         U  29 -16.065  -2.546  -0.043
  314    H5     U  29           H5         U  29 -13.375  -4.252   2.718
  315    H6     U  29           H6         U  29 -15.262  -5.349   3.776
  316   1H5*    U  30          1H5*        U  30 -20.596  -8.962   1.865
  317   2H5*    U  30          2H5*        U  30 -20.350 -10.527   1.067
  318    H4*    U  30           H4*        U  30 -21.530  -8.831  -0.350
  319    H3*    U  30           H3*        U  30 -18.886  -9.972  -1.282
  320    H2*    U  30           H2*        U  30 -19.013  -8.656  -3.232
  321   2HO*    U  30          2HO*        U  30 -21.647  -9.041  -2.914
  322    H1*    U  30           H1*        U  30 -20.101  -6.388  -2.077
  323    H3     U  30           H3         U  30 -15.962  -4.973  -3.194
  324    H5     U  30           H5         U  30 -15.296  -7.596   0.040
  325    H6     U  30           H6         U  30 -17.651  -8.176  -0.033
  326   1H5*    C  31          1H5*        C  31 -21.124 -10.220  -4.610
  327   2H5*    C  31          2H5*        C  31 -20.855 -11.732  -5.498
  328    H4*    C  31           H4*        C  31 -20.239  -9.764  -6.844
  329    H3*    C  31           H3*        C  31 -18.009 -11.635  -6.022
  330    H2*    C  31           H2*        C  31 -16.440 -10.248  -7.035
  331   2HO*    C  31          2HO*        C  31 -18.396  -8.866  -8.536
  332    H1*    C  31           H1*        C  31 -17.855  -7.801  -6.774
  333   1H4     C  31          1H4         C  31 -12.845  -7.152  -2.921
  334   2H4     C  31          2H4         C  31 -13.501  -8.337  -1.813
  335    H5     C  31           H5         C  31 -15.527  -9.566  -2.243
  336    H6     C  31           H6         C  31 -17.354  -9.939  -3.833
  337   1H5*    U  32          1H5*        U  32 -17.775 -11.147 -10.469
  338   2H5*    U  32          2H5*        U  32 -17.549 -12.781 -11.126
  339    H4*    U  32           H4*        U  32 -15.890 -11.274 -12.071
  340    H3*    U  32           H3*        U  32 -14.863 -13.365 -10.154
  341    H2*    U  32           H2*        U  32 -12.687 -12.510 -10.290
  342   2HO*    U  32          2HO*        U  32 -11.986 -11.216 -11.994
  343    H1*    U  32           H1*        U  32 -13.302  -9.819 -10.505
  344    H3     U  32           H3         U  32 -11.323  -9.910  -6.458
  345    H5     U  32           H5         U  32 -14.900 -12.046  -5.851
  346    H6     U  32           H6         U  32 -15.336 -11.863  -8.230
  347   1H5*    U  33          1H5*        U  33 -12.654 -12.756 -13.655
  348   2H5*    U  33          2H5*        U  33 -11.838 -14.155 -14.381
  349    H4*    U  33           H4*        U  33 -10.345 -12.182 -13.922
  350    H3*    U  33           H3*        U  33  -9.770 -14.892 -12.734
  351    H2*    U  33           H2*        U  33  -8.035 -14.056 -11.449
  352   2HO*    U  33          2HO*        U  33  -6.654 -12.568 -12.170
  353    H1*    U  33           H1*        U  33  -8.890 -11.355 -11.273
  354    H3     U  33           H3         U  33  -8.260 -12.253  -6.921
  355    H5     U  33           H5         U  33 -11.493 -14.738  -7.989
  356    H6     U  33           H6         U  33 -11.160 -14.067 -10.298
  357   1H5*    C  34          1H5*        C  34  -4.965 -15.844 -13.345
  358   2H5*    C  34          2H5*        C  34  -6.341 -15.568 -12.258
  359    H4*    C  34           H4*        C  34  -4.574 -13.229 -12.774
  360    H3*    C  34           H3*        C  34  -3.549 -15.731 -11.484
  361    H2*    C  34           H2*        C  34  -2.902 -14.675  -9.524
  362   2HO*    C  34          2HO*        C  34  -2.497 -12.355  -9.516
  363    H1*    C  34           H1*        C  34  -4.704 -12.531  -9.480
  364   1H4     C  34          1H4         C  34  -6.507 -16.706  -4.969
  365   2H4     C  34          2H4         C  34  -7.687 -17.330  -6.099
  366    H5     C  34           H5         C  34  -7.804 -16.635  -8.404
  367    H6     C  34           H6         C  34  -6.785 -15.239 -10.130
  368   1H5*    C  35          1H5*        C  35   0.673 -16.867 -12.008
  369   2H5*    C  35          2H5*        C  35  -0.164 -17.750 -10.713
  370    H4*    C  35           H4*        C  35   1.828 -15.528 -10.550
  371    H3*    C  35           H3*        C  35   1.484 -18.213  -9.366
  372    H2*    C  35           H2*        C  35   1.678 -17.631  -7.137
  373   2HO*    C  35          2HO*        C  35   3.080 -15.298  -7.986
  374    H1*    C  35           H1*        C  35   0.747 -15.050  -7.087
  375   1H4     C  35          1H4         C  35  -4.062 -18.845  -5.195
  376   2H4     C  35          2H4         C  35  -4.742 -18.683  -6.799
  377    H5     C  35           H5         C  35  -3.594 -17.611  -8.617
  378    H6     C  35           H6         C  35  -1.554 -16.439  -9.294
  379   1H5*    U  36          1H5*        U  36   5.123 -21.142  -9.401
  380   2H5*    U  36          2H5*        U  36   3.475 -21.678  -9.011
  381    H4*    U  36           H4*        U  36   5.420 -20.143  -7.276
  382    H3*    U  36           H3*        U  36   4.143 -22.853  -7.159
  383    H2*    U  36           H2*        U  36   3.555 -22.668  -4.923
  384   2HO*    U  36          2HO*        U  36   5.931 -21.306  -4.827
  385    H1*    U  36           H1*        U  36   3.274 -19.891  -4.706
  386    H3     U  36           H3         U  36  -0.584 -22.219  -3.553
  387    H5     U  36           H5         U  36  -0.877 -21.251  -7.646
  388    H6     U  36           H6         U  36   1.456 -20.585  -7.587
  389   1H5*    A  37          1H5*        A  37   6.127 -26.011  -4.557
  390   2H5*    A  37          2H5*        A  37   4.542 -26.152  -5.345
  391    H4*    A  37           H4*        A  37   5.041 -25.067  -2.551
  392    H3*    A  37           H3*        A  37   5.026 -27.743  -3.202
  393    H2*    A  37           H2*        A  37   2.852 -27.972  -4.018
  394   2HO*    A  37          2HO*        A  37   1.773 -27.733  -1.481
  395    H1*    A  37           H1*        A  37   1.627 -25.936  -2.220
  396    H8     A  37           H8         A  37   2.483 -25.765  -5.996
  397   1H6     A  37          1H6         A  37  -3.626 -25.981  -6.880
  398   2H6     A  37          2H6         A  37  -2.067 -25.796  -7.651
  399    H2     A  37           H2         A  37  -2.847 -26.483  -2.481
  400   1H5*    A  38          1H5*        A  38   7.002 -28.249   2.225
  401   2H5*    A  38          2H5*        A  38   5.834 -29.462   1.662
  402    H4*    A  38           H4*        A  38   5.775 -28.017   4.076
  403    H3*    A  38           H3*        A  38   3.950 -29.946   2.690
  404    H2*    A  38           H2*        A  38   2.045 -29.229   3.809
  405   2HO*    A  38          2HO*        A  38   3.858 -28.837   5.834
  406    H1*    A  38           H1*        A  38   2.678 -26.556   4.234
  407    H8     A  38           H8         A  38   3.411 -26.848   0.668
  408   1H6     A  38          1H6         A  38  -2.653 -26.988  -0.492
  409   2H6     A  38          2H6         A  38  -1.059 -26.796  -1.187
  410    H2     A  38           H2         A  38  -2.075 -27.631   3.919
  411   1H5*    G  39          1H5*        G  39   2.699 -32.666   6.500
  412   2H5*    G  39          2H5*        G  39   2.168 -33.677   5.141
  413    H4*    G  39           H4*        G  39   0.583 -32.037   6.820
  414    H3*    G  39           H3*        G  39   0.091 -33.791   4.438
  415    H2*    G  39           H2*        G  39  -1.891 -32.710   3.843
  416   2HO*    G  39          2HO*        G  39  -3.022 -32.719   5.715
  417    H1*    G  39           H1*        G  39  -1.274 -30.125   4.553
  418    H8     G  39           H8         G  39   1.836 -31.249   2.894
  419    H1     G  39           H1         G  39  -2.886 -30.340  -1.332
  420   1H2     G  39          1H2         G  39  -4.827 -30.140  -0.273
  421   2H2     G  39          2H2         G  39  -4.960 -30.229   1.469
  422   1H5*    U  40          1H5*        U  40  -3.729 -34.782   6.576
  423   2H5*    U  40          2H5*        U  40  -3.752 -36.554   6.471
  424    H4*    U  40           H4*        U  40  -5.736 -35.411   5.429
  425    H3*    U  40           H3*        U  40  -3.970 -37.284   3.874
  426    H2*    U  40           H2*        U  40  -5.052 -36.815   1.856
  427   2HO*    U  40          2HO*        U  40  -7.142 -35.848   1.806
  428    H1*    U  40           H1*        U  40  -5.641 -34.143   2.259
  429    H3     U  40           H3         U  40  -2.661 -34.322  -1.197
  430    H5     U  40           H5         U  40  -0.317 -34.636   2.292
  431    H6     U  40           H6         U  40  -2.368 -34.842   3.573
  432   1H5*    C  41          1H5*        C  41  -7.471 -38.178   2.894
  433   2H5*    C  41          2H5*        C  41  -8.244 -39.751   3.177
  434    H4*    C  41           H4*        C  41  -8.586 -39.372   0.890
  435    H3*    C  41           H3*        C  41  -6.190 -41.143   1.331
  436    H2*    C  41           H2*        C  41  -5.619 -41.088  -0.925
  437   2HO*    C  41          2HO*        C  41  -7.074 -41.013  -2.509
  438    H1*    C  41           H1*        C  41  -6.592 -38.537  -1.564
  439   1H4     C  41          1H4         C  41  -0.279 -37.832  -1.477
  440   2H4     C  41          2H4         C  41  -0.247 -38.002   0.264
  441    H5     C  41           H5         C  41  -2.206 -38.493   1.578
  442    H6     C  41           H6         C  41  -4.615 -38.937   1.506
  443   1H5*    C  42          1H5*        C  42  -8.759 -42.077  -1.904
  444   2H5*    C  42          2H5*        C  42  -9.312 -43.764  -1.902
  445    H4*    C  42           H4*        C  42  -8.790 -43.140  -4.169
  446    H3*    C  42           H3*        C  42  -6.812 -45.019  -2.882
  447    H2*    C  42           H2*        C  42  -5.435 -44.961  -4.786
  448   2HO*    C  42          2HO*        C  42  -6.283 -43.925  -6.767
  449    H1*    C  42           H1*        C  42  -5.731 -42.305  -5.431
  450   1H4     C  42          1H4         C  42  -0.367 -42.425  -2.013
  451   2H4     C  42          2H4         C  42  -1.274 -42.678  -0.540
  452    H5     C  42           H5         C  42  -3.660 -42.973  -0.493
  453    H6     C  42           H6         C  42  -5.699 -43.092  -1.847
  454   1H5*    U  43          1H5*        U  43  -6.898 -45.872  -6.675
  455   2H5*    U  43          2H5*        U  43  -7.132 -47.592  -7.045
  456    H4*    U  43           H4*        U  43  -5.105 -46.673  -8.115
  457    H3*    U  43           H3*        U  43  -4.875 -48.866  -6.092
  458    H2*    U  43           H2*        U  43  -2.664 -48.480  -5.696
  459   2HO*    U  43          2HO*        U  43  -2.384 -48.034  -8.496
  460    H1*    U  43           H1*        U  43  -2.479 -46.076  -7.417
  461    H3     U  43           H3         U  43   0.890 -45.104  -4.600
  462    H5     U  43           H5         U  43  -2.485 -45.325  -2.079
  463    H6     U  43           H6         U  43  -3.765 -46.108  -3.987
  464    H3T    U  43           H3T        U  43  -5.062 -48.543  -8.759
  465   1H5*    G  44          1H5*        G  44  -6.587  46.504  -1.101
  466   2H5*    G  44          2H5*        G  44  -7.421  45.063  -1.716
  467    H4*    G  44           H4*        G  44  -6.608  45.928  -3.685
  468    H3*    G  44           H3*        G  44  -4.648  43.962  -2.596
  469    H2*    G  44           H2*        G  44  -2.855  44.661  -3.920
  470   2HO*    G  44          2HO*        G  44  -4.885  45.667  -5.612
  471    H1*    G  44           H1*        G  44  -3.274  47.346  -4.000
  472    H8     G  44           H8         G  44  -4.224  46.557  -0.504
  473    H1     G  44           H1         G  44   2.110  46.176  -1.368
  474   1H2     G  44          1H2         G  44   2.583  46.206  -3.536
  475   2H2     G  44          2H2         G  44   1.346  46.316  -4.768
  476    H5T    G  44           H5T        G  44  -6.155  44.471   0.013
  477   1H5*    G  45          1H5*        G  45  -3.745  44.049  -6.258
  478   2H5*    G  45          2H5*        G  45  -3.767  42.507  -7.137
  479    H4*    G  45           H4*        G  45  -1.585  43.632  -7.326
  480    H3*    G  45           H3*        G  45  -1.705  41.003  -5.849
  481    H2*    G  45           H2*        G  45   0.541  41.155  -5.264
  482   2HO*    G  45          2HO*        G  45   2.044  41.981  -6.570
  483    H1*    G  45           H1*        G  45   0.781  43.977  -5.254
  484    H8     G  45           H8         G  45  -1.998  42.882  -2.968
  485    H1     G  45           H1         G  45   3.804  42.261  -0.327
  486   1H2     G  45          1H2         G  45   5.371  42.526  -1.869
  487   2H2     G  45          2H2         G  45   4.995  42.855  -3.546
  488   1H5*    G  46          1H5*        G  46   1.168  40.631  -8.201
  489   2H5*    G  46          2H5*        G  46   1.290  39.418  -9.491
  490    H4*    G  46           H4*        G  46   3.267  39.096  -8.300
  491    H3*    G  46           H3*        G  46   1.172  37.167  -7.307
  492    H2*    G  46           H2*        G  46   2.549  36.442  -5.575
  493   2HO*    G  46          2HO*        G  46   4.944  37.197  -5.837
  494    H1*    G  46           H1*        G  46   4.002  38.813  -5.157
  495    H8     G  46           H8         G  46   0.155  38.996  -5.185
  496    H1     G  46           H1         G  46   2.759  37.935   0.568
  497   1H2     G  46          1H2         G  46   4.940  37.604   0.358
  498   2H2     G  46          2H2         G  46   5.755  37.639  -1.189
  499   1H5*    A  47          1H5*        A  47   5.218  35.758  -7.840
  500   2H5*    A  47          2H5*        A  47   5.305  34.195  -8.676
  501    H4*    A  47           H4*        A  47   6.851  34.260  -6.777
  502    H3*    A  47           H3*        A  47   4.518  32.358  -6.619
  503    H2*    A  47           H2*        A  47   5.058  31.743  -4.434
  504   2HO*    A  47          2HO*        A  47   7.063  31.346  -3.976
  505    H1*    A  47           H1*        A  47   6.130  34.163  -3.546
  506    H8     A  47           H8         A  47   2.749  34.265  -5.394
  507   1H6     A  47          1H6         A  47   0.181  33.877   0.206
  508   2H6     A  47          2H6         A  47  -0.118  34.106  -1.501
  509    H2     A  47           H2         A  47   4.626  33.382   0.688
  510   1H5*    U  48          1H5*        U  48   7.821  30.146  -5.305
  511   2H5*    U  48          2H5*        U  48   7.699  28.440  -5.780
  512    H4*    U  48           H4*        U  48   7.708  28.870  -3.290
  513    H3*    U  48           H3*        U  48   5.497  27.348  -4.654
  514    H2*    U  48           H2*        U  48   4.225  27.250  -2.712
  515   2HO*    U  48          2HO*        U  48   5.402  27.748  -0.617
  516    H1*    U  48           H1*        U  48   5.114  29.614  -1.469
  517    H3     U  48           H3         U  48   0.665  30.333  -1.749
  518    H5     U  48           H5         U  48   1.968  30.492  -5.755
  519    H6     U  48           H6         U  48   4.169  29.807  -4.997
  520   1H5*    A  49          1H5*        A  49   8.615  23.752  -2.723
  521   2H5*    A  49          2H5*        A  49   7.547  22.368  -2.413
  522    H4*    A  49           H4*        A  49   8.434  24.556  -0.593
  523    H3*    A  49           H3*        A  49   8.784  21.818  -0.561
  524    H2*    A  49           H2*        A  49   6.621  21.117  -0.044
  525   2HO*    A  49          2HO*        A  49   6.557  20.657   2.052
  526    H1*    A  49           H1*        A  49   5.918  23.483   1.626
  527    H8     A  49           H8         A  49   4.824  22.466  -1.960
  528   1H6     A  49          1H6         A  49  -0.718  21.451   0.598
  529   2H6     A  49          2H6         A  49   0.185  21.480  -0.899
  530    H2     A  49           H2         A  49   2.144  22.551   3.878
  531   1H5*    U  50          1H5*        U  50  10.085  22.510   5.182
  532   2H5*    U  50          2H5*        U  50   9.705  20.838   4.719
  533    H4*    U  50           H4*        U  50   8.569  21.490   6.805
  534    H3*    U  50           H3*        U  50   7.318  20.180   4.703
  535    H2*    U  50           H2*        U  50   6.082  21.980   3.844
  536   2HO*    U  50          2HO*        U  50   4.048  22.141   5.200
  537    H1*    U  50           H1*        U  50   5.648  23.202   6.552
  538    H3     U  50           H3         U  50   7.077  27.412   4.515
  539    H5     U  50           H5         U  50   4.063  25.443   2.321
  540    H6     U  50           H6         U  50   4.468  23.464   3.664
  541   1H5*    G  51          1H5*        G  51   3.264  20.730   6.408
  542   2H5*    G  51          2H5*        G  51   3.193  19.194   7.296
  543    H4*    G  51           H4*        G  51   1.112  19.467   6.129
  544    H3*    G  51           H3*        G  51   2.958  17.374   5.024
  545    H2*    G  51           H2*        G  51   1.682  17.044   3.108
  546   2HO*    G  51          2HO*        G  51  -0.383  17.685   4.840
  547    H1*    G  51           H1*        G  51   0.578  19.589   2.808
  548    H8     G  51           H8         G  51   4.283  19.941   3.287
  549    H1     G  51           H1         G  51   2.720  18.161  -2.658
  550   1H2     G  51          1H2         G  51   0.582  17.574  -2.741
  551   2H2     G  51          2H2         G  51  -0.460  17.620  -1.335
  552   1H5*    G  52          1H5*        G  52   1.934  13.082   5.109
  553   2H5*    G  52          2H5*        G  52   3.306  13.591   4.105
  554    H4*    G  52           H4*        G  52   0.451  13.104   3.349
  555    H3*    G  52           H3*        G  52   3.151  12.324   2.319
  556    H2*    G  52           H2*        G  52   2.575  12.599   0.073
  557   2HO*    G  52          2HO*        G  52  -0.117  13.029   0.272
  558    H1*    G  52           H1*        G  52   0.929  14.771   0.240
  559    H8     G  52           H8         G  52   3.507  15.836   2.608
  560    H1     G  52           H1         G  52   5.839  15.687  -3.353
  561   1H2     G  52          1H2         G  52   4.434  14.595  -4.686
  562   2H2     G  52          2H2         G  52   2.936  13.903  -4.110
  563   1H5*    A  53          1H5*        A  53   0.684   8.988   0.907
  564   2H5*    A  53          2H5*        A  53   1.537   7.441   1.074
  565    H4*    A  53           H4*        A  53   1.018   8.160  -1.302
  566    H3*    A  53           H3*        A  53   3.798   7.469  -0.377
  567    H2*    A  53           H2*        A  53   4.737   8.102  -2.415
  568   2HO*    A  53          2HO*        A  53   2.191   8.127  -3.670
  569    H1*    A  53           H1*        A  53   2.991  10.163  -3.095
  570    H8     A  53           H8         A  53   3.950  10.830   0.432
  571   1H6     A  53          1H6         A  53   9.318  13.079  -1.635
  572   2H6     A  53          2H6         A  53   8.264  12.917  -0.247
  573    H2     A  53           H2         A  53   7.283  10.994  -5.060
  574   1H5*    A  54          1H5*        A  54   3.057   4.857  -3.961
  575   2H5*    A  54          2H5*        A  54   3.816   3.287  -3.631
  576    H4*    A  54           H4*        A  54   4.586   4.395  -5.749
  577    H3*    A  54           H3*        A  54   6.568   3.704  -3.575
  578    H2*    A  54           H2*        A  54   8.322   4.604  -4.877
  579   2HO*    A  54          2HO*        A  54   7.897   5.224  -7.111
  580    H1*    A  54           H1*        A  54   6.995   6.805  -5.818
  581    H8     A  54           H8         A  54   5.940   6.274  -2.225
  582   1H6     A  54          1H6         A  54  11.073   9.286  -0.581
  583   2H6     A  54          2H6         A  54   9.559   8.610  -0.026
  584    H2     A  54           H2         A  54  11.310   8.461  -4.997
  585   1H5*    G  55          1H5*        G  55   8.282   1.788  -7.063
  586   2H5*    G  55          2H5*        G  55   8.737   0.131  -6.617
  587    H4*    G  55           H4*        G  55  10.663   1.252  -7.557
  588    H3*    G  55           H3*        G  55  10.812   0.811  -4.567
  589    H2*    G  55           H2*        G  55  12.936   1.850  -4.530
  590   2HO*    G  55          2HO*        G  55  14.281   1.627  -6.136
  591    H1*    G  55           H1*        G  55  12.399   3.843  -6.343
  592    H8     G  55           H8         G  55   9.535   3.107  -3.895
  593    H1     G  55           H1         G  55  13.982   7.099  -1.625
  594   1H2     G  55          1H2         G  55  15.692   7.218  -3.039
  595   2H2     G  55          2H2         G  55  15.730   6.316  -4.537
  596   1H5*    A  56          1H5*        A  56  14.217  -0.227  -6.515
  597   2H5*    A  56          2H5*        A  56  14.981  -1.770  -6.086
  598    H4*    A  56           H4*        A  56  16.630   0.025  -6.071
  599    H3*    A  56           H3*        A  56  15.924  -1.157  -3.379
  600    H2*    A  56           H2*        A  56  17.422   0.326  -2.325
  601   2HO*    A  56          2HO*        A  56  18.685   1.710  -4.068
  602    H1*    A  56           H1*        A  56  16.892   2.549  -3.857
  603    H8     A  56           H8         A  56  13.751   0.534  -2.992
  604   1H6     A  56          1H6         A  56  13.409   4.015   2.096
  605   2H6     A  56          2H6         A  56  12.594   2.822   1.114
  606    H2     A  56           H2         A  56  17.325   4.905   0.073
  607   1H5*    A  57          1H5*        A  57  19.704  -0.986  -3.018
  608   2H5*    A  57          2H5*        A  57  20.535  -2.552  -2.928
  609    H4*    A  57           H4*        A  57  21.418  -1.481  -1.084
  610    H3*    A  57           H3*        A  57  18.936  -2.920  -0.120
  611    H2*    A  57           H2*        A  57  19.250  -2.008   2.022
  612   2HO*    A  57          2HO*        A  57  21.174  -1.601   2.840
  613    H1*    A  57           H1*        A  57  20.245   0.472   1.234
  614    H8     A  57           H8         A  57  17.117  -0.910  -0.563
  615   1H6     A  57          1H6         A  57  13.870   2.258   3.628
  616   2H6     A  57          2H6         A  57  13.784   1.288   2.174
  617    H2     A  57           H2         A  57  18.215   2.546   4.738
  618   1H5*    C  58          1H5*        C  58  21.806  -3.641   2.759
  619   2H5*    C  58          2H5*        C  58  21.940  -5.373   3.123
  620    H4*    C  58           H4*        C  58  21.643  -4.199   5.198
  621    H3*    C  58           H3*        C  58  19.151  -5.664   4.297
  622    H2*    C  58           H2*        C  58  18.004  -4.852   6.161
  623   2HO*    C  58          2HO*        C  58  19.431  -3.874   7.933
  624    H1*    C  58           H1*        C  58  19.447  -2.439   6.471
  625   1H4     C  58          1H4         C  58  13.676  -0.598   4.527
  626   2H4     C  58          2H4         C  58  13.945  -1.309   2.952
  627    H5     C  58           H5         C  58  15.932  -2.535   2.377
  628    H6     C  58           H6         C  58  18.073  -3.398   3.199
  629   1H5*    C  59          1H5*        C  59  19.876  -6.196   8.188
  630   2H5*    C  59          2H5*        C  59  19.487  -7.768   8.914
  631    H4*    C  59           H4*        C  59  18.260  -5.938  10.009
  632    H3*    C  59           H3*        C  59  16.622  -7.935   8.430
  633    H2*    C  59           H2*        C  59  14.680  -6.763   8.965
  634   2HO*    C  59          2HO*        C  59  16.156  -5.699  11.155
  635    H1*    C  59           H1*        C  59  15.845  -4.192   9.170
  636   1H4     C  59          1H4         C  59  12.267  -3.979   3.921
  637   2H4     C  59          2H4         C  59  13.313  -5.125   3.110
  638    H5     C  59           H5         C  59  15.226  -6.149   4.172
  639    H6     C  59           H6         C  59  16.481  -6.370   6.262
  640   1H5*    G  60          1H5*        G  60  15.663  -7.674  13.012
  641   2H5*    G  60          2H5*        G  60  15.276  -9.336  13.504
  642    H4*    G  60           H4*        G  60  13.723  -7.747  14.527
  643    H3*    G  60           H3*        G  60  12.582  -9.622  12.452
  644    H2*    G  60           H2*        G  60  10.469  -8.623  12.657
  645   2HO*    G  60          2HO*        G  60  11.140  -7.079  14.901
  646    H1*    G  60           H1*        G  60  11.295  -6.007  13.073
  647    H8     G  60           H8         G  60  13.220  -7.710  10.264
  648    H1     G  60           H1         G  60   7.617  -5.231   8.408
  649   1H2     G  60          1H2         G  60   6.442  -4.592  10.185
  650   2H2     G  60          2H2         G  60   7.037  -4.779  11.820
  651   1H5*    G  61          1H5*        G  61   9.512  -9.161  14.759
  652   2H5*    G  61          2H5*        G  61   9.325 -10.629  15.740
  653    H4*    G  61           H4*        G  61   7.149 -10.272  15.038
  654    H3*    G  61           H3*        G  61   8.465 -12.094  13.020
  655    H2*    G  61           H2*        G  61   6.609 -11.974  11.623
  656   2HO*    G  61          2HO*        G  61   5.113 -11.253  13.940
  657    H1*    G  61           H1*        G  61   5.667  -9.417  12.418
  658    H8     G  61           H8         G  61   9.276  -9.656  11.156
  659    H1     G  61           H1         G  61   4.945  -8.745   6.538
  660   1H2     G  61          1H2         G  61   2.895  -8.899   7.373
  661   2H2     G  61          2H2         G  61   2.593  -9.229   9.064
  662   1H5*    G  62          1H5*        G  62   4.332 -13.058  13.512
  663   2H5*    G  62          2H5*        G  62   4.249 -14.771  13.970
  664    H4*    G  62           H4*        G  62   2.629 -14.309  12.218
  665    H3*    G  62           H3*        G  62   4.991 -16.008  11.413
  666    H2*    G  62           H2*        G  62   4.297 -16.022   9.196
  667   2HO*    G  62          2HO*        G  62   1.961 -15.423   8.777
  668    H1*    G  62           H1*        G  62   2.847 -13.577   9.200
  669    H8     G  62           H8         G  62   6.580 -13.678  10.169
  670    H1     G  62           H1         G  62   5.449 -12.555   3.969
  671   1H2     G  62          1H2         G  62   3.278 -12.740   3.547
  672   2H2     G  62          2H2         G  62   2.111 -13.138   4.788
  673   1H5*    G  63          1H5*        G  63   4.618 -20.219   9.869
  674   2H5*    G  63          2H5*        G  63   5.136 -18.522   9.920
  675    H4*    G  63           H4*        G  63   2.775 -19.247   8.220
  676    H3*    G  63           H3*        G  63   5.606 -20.072   7.620
  677    H2*    G  63           H2*        G  63   5.519 -19.184   5.451
  678   2HO*    G  63          2HO*        G  63   3.008 -18.387   5.106
  679    H1*    G  63           H1*        G  63   4.039 -16.930   5.950
  680    H8     G  63           H8         G  63   6.264 -16.943   8.884
  681    H1     G  63           H1         G  63   9.547 -15.722   3.529
  682   1H2     G  63          1H2         G  63   8.306 -16.160   1.758
  683   2H2     G  63          2H2         G  63   6.671 -16.764   1.884
  684   1H5*    A  64          1H5*        A  64   6.708 -24.144   7.015
  685   2H5*    A  64          2H5*        A  64   7.509 -22.607   6.637
  686    H4*    A  64           H4*        A  64   8.126 -24.661   5.217
  687    H3*    A  64           H3*        A  64   7.484 -21.927   4.195
  688    H2*    A  64           H2*        A  64   7.249 -22.592   1.964
  689   2HO*    A  64          2HO*        A  64   8.193 -24.425   1.130
  690    H1*    A  64           H1*        A  64   6.076 -25.030   2.278
  691    H8     A  64           H8         A  64   4.798 -22.492   4.842
  692   1H6     A  64          1H6         A  64   0.474 -21.055   0.687
  693   2H6     A  64          2H6         A  64   1.025 -20.825   2.331
  694    H2     A  64           H2         A  64   3.414 -23.819  -1.290
  695   1H5*    A  65          1H5*        A  65  10.317 -19.570   1.415
  696   2H5*    A  65          2H5*        A  65   8.753 -19.637   2.251
  697    H4*    A  65           H4*        A  65   9.380 -20.703  -0.522
  698    H3*    A  65           H3*        A  65   8.030 -18.216   0.457
  699    H2*    A  65           H2*        A  65   6.152 -18.480  -0.901
  700   2HO*    A  65          2HO*        A  65   7.635 -20.355  -2.455
  701    H1*    A  65           H1*        A  65   5.917 -21.217  -0.908
  702    H8     A  65           H8         A  65   6.623 -20.613   2.652
  703   1H6     A  65          1H6         A  65   0.842 -18.549   3.319
  704   2H6     A  65          2H6         A  65   2.286 -19.076   4.155
  705    H2     A  65           H2         A  65   1.722 -18.804  -1.081
  706   1H5*    A  66          1H5*        A  66   8.216 -15.935  -4.380
  707   2H5*    A  66          2H5*        A  66   7.977 -14.726  -3.101
  708    H4*    A  66           H4*        A  66   6.121 -15.550  -5.047
  709    H3*    A  66           H3*        A  66   6.041 -13.759  -2.642
  710    H2*    A  66           H2*        A  66   3.704 -13.873  -2.443
  711   2HO*    A  66          2HO*        A  66   2.524 -14.980  -4.282
  712    H1*    A  66           H1*        A  66   3.312 -16.492  -3.048
  713    H8     A  66           H8         A  66   6.550 -15.997  -1.080
  714   1H6     A  66          1H6         A  66   3.112 -16.603   4.008
  715   2H6     A  66          2H6         A  66   4.743 -16.499   3.377
  716    H2     A  66           H2         A  66   0.326 -16.377   0.472
  717   1H5*    C  67          1H5*        C  67   3.821 -11.682  -4.907
  718   2H5*    C  67          2H5*        C  67   3.846  -9.910  -4.808
  719    H4*    C  67           H4*        C  67   1.961 -11.010  -3.554
  720    H3*    C  67           H3*        C  67   3.940  -9.237  -2.113
  721    H2*    C  67           H2*        C  67   2.850  -9.637  -0.077
  722   2HO*    C  67          2HO*        C  67   0.639 -10.414  -1.688
  723    H1*    C  67           H1*        C  67   2.096 -12.281  -0.549
  724   1H4     C  67          1H4         C  67   7.146 -12.549   3.329
  725   2H4     C  67          2H4         C  67   8.222 -12.264   1.978
  726    H5     C  67           H5         C  67   7.441 -11.817  -0.258
  727    H6     C  67           H6         C  67   5.464 -11.515  -1.673
  728   1H5*    U  68          1H5*        U  68   0.741  -8.369  -0.571
  729   2H5*    U  68          2H5*        U  68   0.091  -6.728  -0.756
  730    H4*    U  68           H4*        U  68  -0.056  -7.165   1.552
  731    H3*    U  68           H3*        U  68   2.444  -5.559   0.972
  732    H2*    U  68           H2*        U  68   3.003  -5.625   3.255
  733   2HO*    U  68          2HO*        U  68   0.546  -6.674   4.096
  734    H1*    U  68           H1*        U  68   1.958  -8.166   3.812
  735    H3     U  68           H3         U  68   6.346  -8.695   4.746
  736    H5     U  68           H5         U  68   6.240  -8.350   0.546
  737    H6     U  68           H6         U  68   3.872  -7.851   0.711
  738   1H5*    U  69          1H5*        U  69   0.526  -4.434   4.014
  739   2H5*    U  69          2H5*        U  69  -0.122  -2.801   4.263
  740    H4*    U  69           H4*        U  69   0.862  -3.324   6.324
  741    H3*    U  69           H3*        U  69   2.856  -1.758   4.671
  742    H2*    U  69           H2*        U  69   4.424  -1.976   6.384
  743   2HO*    U  69          2HO*        U  69   2.255  -2.577   8.132
  744    H1*    U  69           H1*        U  69   3.576  -4.480   7.360
  745    H3     U  69           H3         U  69   7.837  -5.451   6.241
  746    H5     U  69           H5         U  69   6.077  -4.399   2.563
  747    H6     U  69           H6         U  69   4.055  -3.820   3.767
  748   1H5*    G  70          1H5*        G  70   2.891  -0.619   8.324
  749   2H5*    G  70          2H5*        G  70   3.036   1.099   8.742
  750    H4*    G  70           H4*        G  70   4.856  -0.064   9.781
  751    H3*    G  70           H3*        G  70   5.756   1.471   7.325
  752    H2*    G  70           H2*        G  70   7.931   0.719   7.719
  753   2HO*    G  70          2HO*        G  70   7.379  -0.104  10.358
  754    H1*    G  70           H1*        G  70   7.207  -1.705   9.029
  755    H8     G  70           H8         G  70   6.060  -0.937   5.413
  756    H1     G  70           H1         G  70  11.556  -4.177   5.934
  757   1H2     G  70          1H2         G  70  12.141  -4.324   8.071
  758   2H2     G  70          2H2         G  70  11.180  -3.625   9.355
  759   1H5*    G  71          1H5*        G  71   7.541   2.944  11.643
  760   2H5*    G  71          2H5*        G  71   7.734   4.679  11.318
  761    H4*    G  71           H4*        G  71   9.639   3.913  12.584
  762    H3*    G  71           H3*        G  71  10.178   4.581   9.696
  763    H2*    G  71           H2*        G  71  12.412   3.852   9.862
  764   2HO*    G  71          2HO*        G  71  13.362   3.396  11.929
  765    H1*    G  71           H1*        G  71  12.012   1.619  11.361
  766    H8     G  71           H8         G  71   9.083   2.074   8.986
  767    H1     G  71           H1         G  71  14.218  -0.540   6.202
  768   1H2     G  71          1H2         G  71  15.943  -0.494   7.598
  769   2H2     G  71          2H2         G  71  15.840   0.206   9.196
  770   1H5*    U  72          1H5*        U  72  13.629   6.276  11.970
  771   2H5*    U  72          2H5*        U  72  13.539   8.000  11.562
  772    H4*    U  72           H4*        U  72  15.829   7.277  11.347
  773    H3*    U  72           H3*        U  72  14.425   7.800   8.723
  774    H2*    U  72           H2*        U  72  16.356   7.153   7.534
  775   2HO*    U  72          2HO*        U  72  18.212   6.625   9.317
  776    H1*    U  72           H1*        U  72  17.074   5.021   9.087
  777    H3     U  72           H3         U  72  15.504   3.084   5.301
  778    H5     U  72           H5         U  72  12.034   4.416   7.290
  779    H6     U  72           H6         U  72  13.467   5.512   8.913
  780   1H5*    U  73          1H5*        U  73  18.030   9.095   8.380
  781   2H5*    U  73          2H5*        U  73  18.251  10.839   8.142
  782    H4*    U  73           H4*        U  73  19.692   9.901   6.562
  783    H3*    U  73           H3*        U  73  17.055  10.490   5.196
  784    H2*    U  73           H2*        U  73  17.952   9.636   3.184
  785   2HO*    U  73          2HO*        U  73  20.444  10.054   4.461
  786    H1*    U  73           H1*        U  73  19.348   7.525   4.297
  787    H3     U  73           H3         U  73  16.073   5.328   2.111
  788    H5     U  73           H5         U  73  14.040   7.283   5.246
  789    H6     U  73           H6         U  73  16.116   8.406   5.800
  790   1H5*    C  74          1H5*        C  74  20.169  11.367   2.798
  791   2H5*    C  74          2H5*        C  74  20.009  12.903   1.924
  792    H4*    C  74           H4*        C  74  20.459  11.047   0.383
  793    H3*    C  74           H3*        C  74  17.700  12.278   0.173
  794    H2*    C  74           H2*        C  74  17.281  10.842  -1.662
  795   2HO*    C  74          2HO*        C  74  19.883  11.154  -2.094
  796    H1*    C  74           H1*        C  74  18.561   8.615  -0.622
  797   1H4     C  74          1H4         C  74  12.436   7.594   0.770
  798   2H4     C  74          2H4         C  74  12.480   8.822   2.017
  799    H5     C  74           H5         C  74  14.411  10.206   2.439
  800    H6     C  74           H6         C  74  16.707  10.717   1.755
  801   1H5*    U  75          1H5*        U  75  19.467  12.795  -3.330
  802   2H5*    U  75          2H5*        U  75  18.966  14.062  -4.471
  803    H4*    U  75           H4*        U  75  18.240  11.789  -5.165
  804    H3*    U  75           H3*        U  75  16.092  13.826  -4.512
  805    H2*    U  75           H2*        U  75  14.458  12.230  -4.984
  806   2HO*    U  75          2HO*        U  75  15.917  11.738  -7.033
  807    H1*    U  75           H1*        U  75  16.004   9.937  -4.328
  808    H3     U  75           H3         U  75  12.187   9.413  -1.947
  809    H5     U  75           H5         U  75  14.243  12.498   0.054
  810    H6     U  75           H6         U  75  15.849  12.516  -1.767
  811   1H5*    U  76          1H5*        U  76  15.697  12.794  -8.760
  812   2H5*    U  76          2H5*        U  76  15.431  14.224  -9.778
  813    H4*    U  76           H4*        U  76  13.719  12.609 -10.282
  814    H3*    U  76           H3*        U  76  12.780  15.008  -8.718
  815    H2*    U  76           H2*        U  76  10.645  14.118  -8.454
  816   2HO*    U  76          2HO*        U  76  10.079  12.208  -9.878
  817    H1*    U  76           H1*        U  76  11.301  11.399  -8.400
  818    H3     U  76           H3         U  76   9.440  11.970  -4.330
  819    H5     U  76           H5         U  76  13.038  14.156  -4.109
  820    H6     U  76           H6         U  76  13.378  13.708  -6.467
  821   1H5*    C  77          1H5*        C  77   8.950  16.254 -12.127
  822   2H5*    C  77          2H5*        C  77   8.907  17.168 -10.604
  823    H4*    C  77           H4*        C  77   7.328  14.795 -11.464
  824    H3*    C  77           H3*        C  77   6.843  17.300  -9.867
  825    H2*    C  77           H2*        C  77   5.304  16.247  -8.471
  826   2HO*    C  77          2HO*        C  77   4.856  14.713 -10.746
  827    H1*    C  77           H1*        C  77   6.368  13.668  -8.474
  828   1H4     C  77          1H4         C  77   7.856  16.370  -2.872
  829   2H4     C  77          2H4         C  77   9.380  16.883  -3.561
  830    H5     C  77           H5         C  77   9.934  16.614  -5.886
  831    H6     C  77           H6         C  77   9.147  15.802  -8.060
  832   1H5*    C  78          1H5*        C  78   1.877  15.988 -11.264
  833   2H5*    C  78          2H5*        C  78   1.769  17.756 -11.368
  834    H4*    C  78           H4*        C  78   0.281  16.264  -9.675
  835    H3*    C  78           H3*        C  78   1.275  19.096  -9.441
  836    H2*    C  78           H2*        C  78   0.735  19.222  -7.190
  837   2HO*    C  78          2HO*        C  78  -1.041  18.309  -6.346
  838    H1*    C  78           H1*        C  78   0.863  16.466  -6.538
  839   1H4     C  78          1H4         C  78   5.728  19.146  -3.423
  840   2H4     C  78          2H4         C  78   6.643  19.242  -4.909
  841    H5     C  78           H5         C  78   5.742  18.638  -7.055
  842    H6     C  78           H6         C  78   3.767  17.811  -8.247
  843   1H5*    U  79          1H5*        U  79  -3.098  20.343  -8.921
  844   2H5*    U  79          2H5*        U  79  -1.522  19.846  -8.275
  845    H4*    U  79           H4*        U  79  -3.921  19.433  -6.541
  846    H3*    U  79           H3*        U  79  -2.907  22.144  -7.338
  847    H2*    U  79           H2*        U  79  -2.545  22.815  -5.159
  848   2HO*    U  79          2HO*        U  79  -4.935  22.167  -4.843
  849    H1*    U  79           H1*        U  79  -2.426  20.242  -3.904
  850    H3     U  79           H3         U  79   1.251  22.146  -2.136
  851    H5     U  79           H5         U  79   2.125  21.929  -6.253
  852    H6     U  79           H6         U  79  -0.143  21.150  -6.625
  853   1H5*    A  80          1H5*        A  80  -5.848  25.474  -5.400
  854   2H5*    A  80          2H5*        A  80  -4.153  25.790  -5.825
  855    H4*    A  80           H4*        A  80  -5.239  24.978  -3.108
  856    H3*    A  80           H3*        A  80  -5.085  27.539  -4.105
  857    H2*    A  80           H2*        A  80  -2.771  27.708  -4.429
  858   2HO*    A  80          2HO*        A  80  -1.811  28.622  -2.591
  859    H1*    A  80           H1*        A  80  -2.050  26.026  -2.066
  860    H8     A  80           H8         A  80  -1.778  25.990  -5.964
  861   1H6     A  80          1H6         A  80   4.225  24.926  -4.989
  862   2H6     A  80          2H6         A  80   2.982  25.157  -6.198
  863    H2     A  80           H2         A  80   2.208  25.230  -0.982
  864   1H5*    A  81          1H5*        A  81  -6.805  29.197   0.578
  865   2H5*    A  81          2H5*        A  81  -5.176  28.506   0.439
  866    H4*    A  81           H4*        A  81  -7.330  27.873   2.465
  867    H3*    A  81           H3*        A  81  -4.695  29.223   2.552
  868    H2*    A  81           H2*        A  81  -3.703  27.878   4.158
  869   2HO*    A  81          2HO*        A  81  -5.778  28.235   5.472
  870    H1*    A  81           H1*        A  81  -4.914  25.457   3.741
  871    H8     A  81           H8         A  81  -4.245  26.337   0.261
  872   1H6     A  81          1H6         A  81   1.750  25.181   1.192
  873   2H6     A  81          2H6         A  81   0.506  25.455  -0.008
  874    H2     A  81           H2         A  81  -0.254  25.410   5.210
  875   1H5*    G  82          1H5*        G  82  -5.053  30.885   7.056
  876   2H5*    G  82          2H5*        G  82  -4.147  32.256   6.383
  877    H4*    G  82           H4*        G  82  -3.125  30.352   8.086
  878    H3*    G  82           H3*        G  82  -1.899  32.356   6.240
  879    H2*    G  82           H2*        G  82   0.158  31.270   6.085
  880   2HO*    G  82          2HO*        G  82  -0.496  30.478   8.645
  881    H1*    G  82           H1*        G  82  -0.623  28.646   6.223
  882    H8     G  82           H8         G  82  -3.159  30.131   3.955
  883    H1     G  82           H1         G  82   2.539  29.523   1.095
  884   1H2     G  82          1H2         G  82   4.101  29.082   2.604
  885   2H2     G  82          2H2         G  82   3.745  28.935   4.310
  886   1H5*    U  83          1H5*        U  83   1.065  32.223   9.285
  887   2H5*    U  83          2H5*        U  83   1.276  33.863   9.930
  888    H4*    U  83           H4*        U  83   3.429  32.955   9.260
  889    H3*    U  83           H3*        U  83   2.334  35.247   7.652
  890    H2*    U  83           H2*        U  83   4.048  35.105   6.062
  891   2HO*    U  83          2HO*        U  83   5.465  33.521   7.960
  892    H1*    U  83           H1*        U  83   4.342  32.384   5.942
  893    H3     U  83           H3         U  83   2.459  33.392   1.943
  894    H5     U  83           H5         U  83  -0.710  33.765   4.699
  895    H6     U  83           H6         U  83   0.889  33.419   6.488
  896   1H5*    C  84          1H5*        C  84   6.320  35.641   8.233
  897   2H5*    C  84          2H5*        C  84   6.958  37.218   8.743
  898    H4*    C  84           H4*        C  84   8.146  36.415   6.765
  899    H3*    C  84           H3*        C  84   6.374  38.833   6.406
  900    H2*    C  84           H2*        C  84   6.833  38.895   4.111
  901   2HO*    C  84          2HO*        C  84   8.647  37.335   3.397
  902    H1*    C  84           H1*        C  84   7.013  36.165   3.649
  903   1H4     C  84          1H4         C  84   1.202  37.730   1.602
  904   2H4     C  84          2H4         C  84   0.636  37.917   3.246
  905    H5     C  84           H5         C  84   2.068  37.688   5.168
  906    H6     C  84           H6         C  84   4.361  37.269   5.929
  907   1H5*    C  85          1H5*        C  85  10.112  39.656   4.456
  908   2H5*    C  85          2H5*        C  85  10.761  41.180   5.093
  909    H4*    C  85           H4*        C  85  10.898  41.241   2.688
  910    H3*    C  85           H3*        C  85   8.775  43.021   3.881
  911    H2*    C  85           H2*        C  85   8.049  43.674   1.739
  912   2HO*    C  85          2HO*        C  85   9.568  42.681  -0.067
  913    H1*    C  85           H1*        C  85   8.291  41.251   0.471
  914   1H4     C  85          1H4         C  85   2.191  41.391   2.298
  915   2H4     C  85          2H4         C  85   2.655  41.061   3.951
  916    H5     C  85           H5         C  85   4.939  40.915   4.678
  917    H6     C  85           H6         C  85   7.283  41.044   3.982
  918   1H5*    U  86          1H5*        U  86  10.373  44.673   0.702
  919   2H5*    U  86          2H5*        U  86  10.723  46.412   0.771
  920    H4*    U  86           H4*        U  86   9.181  45.719  -1.092
  921    H3*    U  86           H3*        U  86   8.293  47.719   0.980
  922    H2*    U  86           H2*        U  86   6.146  47.723   0.166
  923   2HO*    U  86          2HO*        U  86   5.800  47.227  -2.155
  924    H1*    U  86           H1*        U  86   6.342  45.242  -1.332
  925    H3     U  86           H3         U  86   2.201  44.921   0.430
  926    H5     U  86           H5         U  86   4.761  44.695   3.776
  927    H6     U  86           H6         U  86   6.616  45.217   2.302
  928    H3T    U  86           H3T        U  86   8.639  48.083  -1.797
  929   1HO1  MN6 101          1HO1      MN6 101   4.645 -40.661  -3.217
  930   2HO1  MN6 101          2HO1      MN6 101   4.982 -39.904  -1.886
  931   1HO2  MN6 101          1HO2      MN6 101   0.988 -42.896  -1.006
  932   2HO2  MN6 101          2HO2      MN6 101   0.940 -41.626  -0.089
  933   1HO3  MN6 101          1HO3      MN6 101   4.960 -41.634   0.330
  934   2HO3  MN6 101          2HO3      MN6 101   3.812 -42.573   0.838
  935   1HO4  MN6 101          1HO4      MN6 101   2.447 -40.139  -3.244
  936   2HO4  MN6 101          2HO4      MN6 101   1.472 -39.872  -2.046
  937   1HO5  MN6 101          1HO5      MN6 101   4.031 -39.641   0.036
  938   2HO5  MN6 101          2HO5      MN6 101   2.757 -40.188   0.768
  939   1HO6  MN6 101          1HO6      MN6 101   2.761 -43.889  -2.024
  940   2HO6  MN6 101          2HO6      MN6 101   4.238 -43.475  -2.349
  941   1HO1  MN6 102          1HO1      MN6 102   2.505 -29.729  -6.795
  942   2HO1  MN6 102          2HO1      MN6 102   3.523 -28.578  -6.479
  943   1HO2  MN6 102          1HO2      MN6 102   5.770 -30.016 -10.426
  944   2HO2  MN6 102          2HO2      MN6 102   4.426 -30.165 -11.219
  945   1HO3  MN6 102          1HO3      MN6 102   6.377 -29.345  -8.460
  946   2HO3  MN6 102          2HO3      MN6 102   5.702 -28.399  -7.408
  947   1HO4  MN6 102          1HO4      MN6 102   1.642 -28.463  -9.413
  948   2HO4  MN6 102          2HO4      MN6 102   2.472 -28.471 -10.743
  949   1HO5  MN6 102          1HO5      MN6 102   3.726 -26.841  -9.680
  950   2HO5  MN6 102          2HO5      MN6 102   5.207 -27.107  -9.241
  951   1HO6  MN6 102          1HO6      MN6 102   3.911 -31.668  -9.430
  952   2HO6  MN6 102          2HO6      MN6 102   2.880 -31.401  -8.280
  953   1HO1  MN6 103          1HO1      MN6 103  -8.559 -14.660  -1.163
  954   2HO1  MN6 103          2HO1      MN6 103  -7.324 -15.534  -0.753
  955   1HO2  MN6 103          1HO2      MN6 103 -11.347 -17.224   1.844
  956   2HO2  MN6 103          2HO2      MN6 103 -10.103 -17.068   2.786
  957   1HO3  MN6 103          1HO3      MN6 103  -7.671 -16.274   2.292
  958   2HO3  MN6 103          2HO3      MN6 103  -7.558 -15.010   1.371
  959   1HO4  MN6 103          1HO4      MN6 103 -11.180 -17.280  -1.024
  960   2HO4  MN6 103          2HO4      MN6 103 -10.323 -18.511  -0.565
  961   1HO5  MN6 103          1HO5      MN6 103  -8.093 -18.657  -0.036
  962   2HO5  MN6 103          2HO5      MN6 103  -7.820 -18.262   1.457
  963   1HO6  MN6 103          1HO6      MN6 103 -10.156 -14.262   1.023
  964   2HO6  MN6 103          2HO6      MN6 103 -10.736 -14.653  -0.379
  965   1HO1  MN6 104          1HO1      MN6 104 -10.592   0.171  -0.170
  966   2HO1  MN6 104          2HO1      MN6 104  -9.296   0.014  -1.038
  967   1HO2  MN6 104          1HO2      MN6 104  -8.440  -3.497   2.110
  968   2HO2  MN6 104          2HO2      MN6 104  -9.883  -4.076   1.912
  969   1HO3  MN6 104          1HO3      MN6 104 -10.618  -1.883   2.630
  970   2HO3  MN6 104          2HO3      MN6 104 -10.841  -0.549   1.838
  971   1HO4  MN6 104          1HO4      MN6 104  -8.034  -1.815  -1.527
  972   2HO4  MN6 104          2HO4      MN6 104  -8.263  -3.354  -1.336
  973   1HO5  MN6 104          1HO5      MN6 104  -8.402  -1.122   2.379
  974   2HO5  MN6 104          2HO5      MN6 104  -8.486  -0.017   1.269
  975   1HO6  MN6 104          1HO6      MN6 104 -11.160  -2.764  -1.399
  976   2HO6  MN6 104          2HO6      MN6 104 -10.796  -4.043  -0.568
  977   1HO1  MN6 105          1HO1      MN6 105 -12.119  14.894   6.320
  978   2HO1  MN6 105          2HO1      MN6 105 -11.091  14.481   7.429
  979   1HO2  MN6 105          1HO2      MN6 105 -13.713  10.374   6.695
  980   2HO2  MN6 105          2HO2      MN6 105 -12.831  10.167   5.415
  981   1HO3  MN6 105          1HO3      MN6 105 -10.725  12.033   4.425
  982   2HO3  MN6 105          2HO3      MN6 105 -10.318  10.920   5.452
  983   1HO4  MN6 105          1HO4      MN6 105 -14.558  12.724   6.631
  984   2HO4  MN6 105          2HO4      MN6 105 -13.817  13.831   7.458
  985   1HO5  MN6 105          1HO5      MN6 105 -13.695  13.331   4.702
  986   2HO5  MN6 105          2HO5      MN6 105 -13.150  11.968   4.150
  987   1HO6  MN6 105          1HO6      MN6 105 -11.738  11.533   8.749
  988   2HO6  MN6 105          2HO6      MN6 105 -10.467  11.255   7.873
  989   1HO1  MN6 106          1HO1      MN6 106  -1.112  41.220   4.772
  990   2HO1  MN6 106          2HO1      MN6 106  -2.480  40.757   4.162
  991   1HO2  MN6 106          1HO2      MN6 106  -0.376  43.567   0.640
  992   2HO2  MN6 106          2HO2      MN6 106  -1.340  44.664   1.211
  993   1HO3  MN6 106          1HO3      MN6 106  -1.798  44.805   3.902
  994   2HO3  MN6 106          2HO3      MN6 106  -3.001  43.877   4.288
  995   1HO4  MN6 106          1HO4      MN6 106  -1.794  40.462   1.529
  996   2HO4  MN6 106          2HO4      MN6 106  -0.620  41.244   0.847
  997   1HO5  MN6 106          1HO5      MN6 106  -4.065  42.998   2.310
  998   2HO5  MN6 106          2HO5      MN6 106  -3.840  41.467   2.558
  999   1HO6  MN6 106          1HO6      MN6 106   0.146  43.046   4.335
 1000   2HO6  MN6 106          2HO6      MN6 106   0.857  42.666   2.990
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.664  28.964  -6.390
 1002   2HO1  MN6 107          2HO1      MN6 107  -0.434  29.936  -6.380
 1003   1HO2  MN6 107          1HO2      MN6 107  -3.505  33.660  -7.033
 1004   2HO2  MN6 107          2HO2      MN6 107  -4.691  32.635  -7.041
 1005   1HO3  MN6 107          1HO3      MN6 107  -2.754  29.993  -4.631
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.660  31.263  -4.478
 1007   1HO4  MN6 107          1HO4      MN6 107  -2.605  30.596  -9.076
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.795  31.937  -9.005
 1009   1HO5  MN6 107          1HO5      MN6 107  -3.767  29.112  -7.089
 1010   2HO5  MN6 107          2HO5      MN6 107  -4.732  30.251  -7.565
 1011   1HO6  MN6 107          1HO6      MN6 107  -0.329  32.304  -6.887
 1012   2HO6  MN6 107          2HO6      MN6 107  -1.336  33.431  -6.468
 1013   1HO1  MN6 108          1HO1      MN6 108   7.574  14.772   0.592
 1014   2HO1  MN6 108          2HO1      MN6 108   8.989  14.151   0.854
 1015   1HO2  MN6 108          1HO2      MN6 108   8.936  17.260   4.756
 1016   2HO2  MN6 108          2HO2      MN6 108   9.962  17.794   3.699
 1017   1HO3  MN6 108          1HO3      MN6 108   8.636  18.064   1.177
 1018   2HO3  MN6 108          2HO3      MN6 108   7.151  17.573   1.284
 1019   1HO4  MN6 108          1HO4      MN6 108   9.836  15.214   4.589
 1020   2HO4  MN6 108          2HO4      MN6 108  10.153  14.258   3.387
 1021   1HO5  MN6 108          1HO5      MN6 108  10.289  16.498   0.747
 1022   2HO5  MN6 108          2HO5      MN6 108  10.880  15.335   1.617
 1023   1HO6  MN6 108          1HO6      MN6 108   6.494  15.033   3.342
 1024   2HO6  MN6 108          2HO6      MN6 108   6.728  16.381   4.106
 1025   1HO1  MN6 109          1HO1      MN6 109   6.519   1.310   2.015
 1026   2HO1  MN6 109          2HO1      MN6 109   6.704   2.723   1.363
 1027   1HO2  MN6 109          1HO2      MN6 109  10.655   3.385   3.901
 1028   2HO2  MN6 109          2HO2      MN6 109  10.358   2.041   4.651
 1029   1HO3  MN6 109          1HO3      MN6 109   7.207   1.679   4.472
 1030   2HO3  MN6 109          2HO3      MN6 109   7.640   0.310   3.844
 1031   1HO4  MN6 109          1HO4      MN6 109  10.370   3.063   0.918
 1032   2HO4  MN6 109          2HO4      MN6 109   9.757   4.254   1.732
 1033   1HO5  MN6 109          1HO5      MN6 109   8.142   4.577   3.112
 1034   2HO5  MN6 109          2HO5      MN6 109   8.162   3.806   4.477
 1035   1HO6  MN6 109          1HO6      MN6 109  10.144   0.093   2.632
 1036   2HO6  MN6 109          2HO6      MN6 109   8.848  -0.107   1.773
 1037   1HO1  MN6 110          1HO1      MN6 110  12.271 -12.830   9.333
 1038   2HO1  MN6 110          2HO1      MN6 110  11.322 -12.818  10.580
 1039   1HO2  MN6 110          1HO2      MN6 110   9.141 -10.447   6.712
 1040   2HO2  MN6 110          2HO2      MN6 110   8.009 -11.457   7.105
 1041   1HO3  MN6 110          1HO3      MN6 110   9.537 -13.458   6.638
 1042   2HO3  MN6 110          2HO3      MN6 110  10.122 -14.305   7.820
 1043   1HO4  MN6 110          1HO4      MN6 110  11.111  -9.716   8.533
 1044   2HO4  MN6 110          2HO4      MN6 110  11.457 -10.434   9.883
 1045   1HO5  MN6 110          1HO5      MN6 110  11.775 -12.701   6.899
 1046   2HO5  MN6 110          2HO5      MN6 110  10.982 -11.530   6.222
 1047   1HO6  MN6 110          1HO6      MN6 110   7.858 -11.764   9.709
 1048   2HO6  MN6 110          2HO6      MN6 110   8.983 -12.025  10.769
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   6.558 -48.953  -3.475
    2   2H5*    G   1          2H5*        G   1   7.491 -47.451  -3.627
    3    H4*    G   1           H4*        G   1   7.046 -48.145  -5.846
    4    H3*    G   1           H3*        G   1   5.342 -45.871  -4.911
    5    H2*    G   1           H2*        G   1   3.863 -45.981  -6.721
    6   2HO*    G   1          2HO*        G   1   4.405 -47.159  -8.641
    7    H1*    G   1           H1*        G   1   3.698 -48.675  -7.065
    8    H8     G   1           H8         G   1   3.847 -48.328  -3.360
    9    H1     G   1           H1         G   1  -1.838 -46.547  -5.701
   10   1H2     G   1          1H2         G   1  -1.728 -46.363  -7.910
   11   2H2     G   1          2H2         G   1  -0.259 -46.676  -8.807
   12    H5T    G   1           H5T        G   1   6.021 -46.628  -2.410
   13   1H5*    G   2          1H5*        G   2   5.466 -45.342  -8.722
   14   2H5*    G   2          2H5*        G   2   6.037 -43.749  -9.259
   15    H4*    G   2           H4*        G   2   3.814 -44.309 -10.187
   16    H3*    G   2           H3*        G   2   4.053 -41.956  -8.315
   17    H2*    G   2           H2*        G   2   1.754 -41.636  -8.298
   18   2HO*    G   2          2HO*        G   2   1.928 -42.709 -10.891
   19    H1*    G   2           H1*        G   2   0.951 -44.298  -8.874
   20    H8     G   2           H8         G   2   3.109 -44.154  -5.789
   21    H1     G   2           H1         G   2  -2.983 -42.529  -4.674
   22   1H2     G   2          1H2         G   2  -4.057 -42.250  -6.587
   23   2H2     G   2          2H2         G   2  -3.279 -42.456  -8.140
   24   1H5*    G   3          1H5*        G   3   1.899 -40.830 -11.620
   25   2H5*    G   3          2H5*        G   3   2.415 -39.343 -12.443
   26    H4*    G   3           H4*        G   3   0.039 -39.216 -12.038
   27    H3*    G   3           H3*        G   3   1.728 -37.418 -10.300
   28    H2*    G   3           H2*        G   3  -0.144 -36.719  -9.098
   29   2HO*    G   3          2HO*        G   3  -2.219 -37.672 -10.525
   30    H1*    G   3           H1*        G   3  -1.682 -39.062  -9.316
   31    H8     G   3           H8         G   3   1.926 -39.459  -8.064
   32    H1     G   3           H1         G   3  -2.379 -38.309  -3.466
   33   1H2     G   3          1H2         G   3  -4.352 -37.834  -4.381
   34   2H2     G   3          2H2         G   3  -4.599 -37.798  -6.110
   35   1H5*    A   4          1H5*        A   4  -1.492 -35.821 -11.594
   36   2H5*    A   4          2H5*        A   4  -1.559 -34.332 -12.559
   37    H4*    A   4           H4*        A   4  -3.277 -34.179 -10.901
   38    H3*    A   4           H3*        A   4  -0.864 -32.471 -10.294
   39    H2*    A   4           H2*        A   4  -1.759 -31.834  -8.239
   40   2HO*    A   4          2HO*        A   4  -4.316 -32.654  -9.195
   41    H1*    A   4           H1*        A   4  -3.240 -34.160  -7.690
   42    H8     A   4           H8         A   4   0.495 -34.479  -8.604
   43   1H6     A   4          1H6         A   4   1.503 -34.421  -2.508
   44   2H6     A   4          2H6         A   4   2.234 -34.624  -4.085
   45    H2     A   4           H2         A   4  -2.866 -33.619  -3.195
   46   1H5*    U   5          1H5*        U   5  -4.447 -29.935  -9.691
   47   2H5*    U   5          2H5*        U   5  -3.937 -28.245  -9.871
   48    H4*    U   5           H4*        U   5  -4.791 -29.097  -7.551
   49    H3*    U   5           H3*        U   5  -2.423 -27.323  -8.077
   50    H2*    U   5           H2*        U   5  -1.622 -27.514  -5.912
   51   2HO*    U   5          2HO*        U   5  -3.318 -28.325  -4.259
   52    H1*    U   5           H1*        U   5  -2.771 -30.006  -5.206
   53    H3     U   5           H3         U   5   1.590 -30.712  -4.271
   54    H5     U   5           H5         U   5   1.475 -30.466  -8.476
   55    H6     U   5           H6         U   5  -0.858 -29.824  -8.310
   56   1H5*    A   6          1H5*        A   6  -4.844 -27.172  -4.979
   57   2H5*    A   6          2H5*        A   6  -6.481 -26.552  -5.281
   58    H4*    A   6           H4*        A   6  -6.034 -27.108  -2.885
   59    H3*    A   6           H3*        A   6  -7.405 -24.868  -3.813
   60    H2*    A   6           H2*        A   6  -5.742 -23.262  -3.399
   61   2HO*    A   6          2HO*        A   6  -7.185 -22.490  -1.971
   62    H1*    A   6           H1*        A   6  -4.783 -24.720  -0.946
   63    H8     A   6           H8         A   6  -3.535 -23.233  -4.329
   64   1H6     A   6          1H6         A   6   1.167 -21.034  -0.963
   65   2H6     A   6          2H6         A   6   0.470 -21.112  -2.564
   66    H2     A   6           H2         A   6  -1.534 -23.355   1.767
   67   1H5*    U   7          1H5*        U   7  -7.551 -24.350   1.429
   68   2H5*    U   7          2H5*        U   7  -7.305 -23.170   0.127
   69    H4*    U   7           H4*        U   7  -5.319 -23.723   2.362
   70    H3*    U   7           H3*        U   7  -7.642 -22.348   2.782
   71    H2*    U   7           H2*        U   7  -7.370 -20.758   1.041
   72   2HO*    U   7          2HO*        U   7  -7.087 -18.912   2.089
   73    H1*    U   7           H1*        U   7  -4.456 -20.438   1.705
   74    H3     U   7           H3         U   7  -5.445 -17.364  -1.689
   75    H5     U   7           H5         U   7  -4.733 -21.115  -3.476
   76    H6     U   7           H6         U   7  -4.819 -22.106  -1.264
   77   1H5*    G   8          1H5*        G   8  -3.442 -19.648   4.853
   78   2H5*    G   8          2H5*        G   8  -4.371 -18.804   3.599
   79    H4*    G   8           H4*        G   8  -1.554 -18.699   4.132
   80    H3*    G   8           H3*        G   8  -3.444 -17.336   2.220
   81    H2*    G   8           H2*        G   8  -1.707 -16.732   0.800
   82   2HO*    G   8          2HO*        G   8  -0.567 -15.849   2.779
   83    H1*    G   8           H1*        G   8   0.090 -18.833   1.396
   84    H8     G   8           H8         G   8  -2.797 -20.725   0.370
   85    H1     G   8           H1         G   8  -0.458 -17.541  -4.642
   86   1H2     G   8          1H2         G   8   0.964 -15.994  -3.988
   87   2H2     G   8          2H2         G   8   1.347 -15.721  -2.302
   88   1H5*    G   9          1H5*        G   9  -2.723 -12.902   3.723
   89   2H5*    G   9          2H5*        G   9  -3.869 -12.459   2.443
   90    H4*    G   9           H4*        G   9  -1.023 -12.632   2.307
   91    H3*    G   9           H3*        G   9  -3.238 -11.844   0.441
   92    H2*    G   9           H2*        G   9  -1.960 -12.245  -1.479
   93   2HO*    G   9          2HO*        G   9  -0.080 -11.121  -0.320
   94    H1*    G   9           H1*        G   9  -0.583 -14.461  -0.678
   95    H8     G   9           H8         G   9  -3.717 -15.522   0.722
   96    H1     G   9           H1         G   9  -4.257 -15.119  -5.645
   97   1H2     G   9          1H2         G   9  -2.566 -13.940  -6.478
   98   2H2     G   9          2H2         G   9  -1.310 -13.254  -5.471
   99   1H5*    A  10          1H5*        A  10  -0.493  -9.034  -0.418
  100   2H5*    A  10          2H5*        A  10  -0.791  -7.338   0.007
  101    H4*    A  10           H4*        A  10  -0.318  -7.342  -2.314
  102    H3*    A  10           H3*        A  10  -3.261  -7.097  -1.723
  103    H2*    A  10           H2*        A  10  -3.824  -7.255  -3.986
  104   2HO*    A  10          2HO*        A  10  -1.765  -7.134  -5.480
  105    H1*    A  10           H1*        A  10  -1.827  -8.997  -4.819
  106    H8     A  10           H8         A  10  -3.371 -10.272  -1.608
  107   1H6     A  10          1H6         A  10  -7.807 -12.770  -5.109
  108   2H6     A  10          2H6         A  10  -7.130 -12.674  -3.499
  109    H2     A  10           H2         A  10  -5.309 -10.111  -7.732
  110   1H5*    A  11          1H5*        A  11  -1.931  -4.285  -4.664
  111   2H5*    A  11          2H5*        A  11  -2.753  -2.712  -4.638
  112    H4*    A  11           H4*        A  11  -2.828  -3.898  -6.854
  113    H3*    A  11           H3*        A  11  -5.389  -3.158  -5.426
  114    H2*    A  11           H2*        A  11  -6.651  -4.125  -7.162
  115   2HO*    A  11          2HO*        A  11  -4.937  -3.109  -8.727
  116    H1*    A  11           H1*        A  11  -5.008  -6.288  -7.671
  117    H8     A  11           H8         A  11  -5.400  -5.720  -3.924
  118   1H6     A  11          1H6         A  11 -10.548  -9.117  -4.336
  119   2H6     A  11          2H6         A  11  -9.426  -8.335  -3.244
  120    H2     A  11           H2         A  11  -9.093  -8.294  -8.505
  121   1H5*    G  12          1H5*        G  12  -5.966  -0.797  -9.181
  122   2H5*    G  12          2H5*        G  12  -6.763   0.701  -8.658
  123    H4*    G  12           H4*        G  12  -8.091  -0.691 -10.280
  124    H3*    G  12           H3*        G  12  -9.224  -0.035  -7.552
  125    H2*    G  12           H2*        G  12 -11.175  -1.240  -8.075
  126   2HO*    G  12          2HO*        G  12 -10.347  -1.120 -10.803
  127    H1*    G  12           H1*        G  12  -9.980  -3.249  -9.580
  128    H8     G  12           H8         G  12  -8.041  -2.645  -6.378
  129    H1     G  12           H1         G  12 -13.253  -6.270  -5.570
  130   1H2     G  12          1H2         G  12 -14.492  -6.239  -7.415
  131   2H2     G  12          2H2         G  12 -14.035  -5.328  -8.835
  132   1H5*    A  13          1H5*        A  13 -11.991   0.409  -9.814
  133   2H5*    A  13          2H5*        A  13 -12.573   2.017 -10.293
  134    H4*    A  13           H4*        A  13 -14.591   0.999  -9.937
  135    H3*    A  13           H3*        A  13 -13.737   2.062  -7.245
  136    H2*    A  13           H2*        A  13 -15.511   0.969  -6.182
  137   2HO*    A  13          2HO*        A  13 -17.219   0.014  -7.687
  138    H1*    A  13           H1*        A  13 -15.640  -1.299  -7.785
  139    H8     A  13           H8         A  13 -12.190  -0.116  -6.497
  140   1H6     A  13          1H6         A  13 -13.083  -4.136  -1.893
  141   2H6     A  13          2H6         A  13 -11.951  -3.028  -2.635
  142    H2     A  13           H2         A  13 -16.845  -3.988  -4.350
  143   1H5*    A  14          1H5*        A  14 -17.925   2.130  -7.895
  144   2H5*    A  14          2H5*        A  14 -18.480   3.815  -7.843
  145    H4*    A  14           H4*        A  14 -20.138   2.557  -6.708
  146    H3*    A  14           H3*        A  14 -18.292   3.983  -4.789
  147    H2*    A  14           H2*        A  14 -19.386   3.010  -2.951
  148   2HO*    A  14          2HO*        A  14 -21.465   1.955  -4.543
  149    H1*    A  14           H1*        A  14 -19.859   0.518  -4.035
  150    H8     A  14           H8         A  14 -16.427   2.207  -4.637
  151   1H6     A  14          1H6         A  14 -14.507  -1.050   0.243
  152   2H6     A  14          2H6         A  14 -14.026   0.028  -1.047
  153    H2     A  14           H2         A  14 -18.936  -1.697  -0.197
  154   1H5*    C  15          1H5*        C  15 -22.211   4.812  -3.129
  155   2H5*    C  15          2H5*        C  15 -22.196   6.528  -2.674
  156    H4*    C  15           H4*        C  15 -22.750   5.115  -0.750
  157    H3*    C  15           H3*        C  15 -20.081   6.539  -0.640
  158    H2*    C  15           H2*        C  15 -19.620   5.535   1.415
  159   2HO*    C  15          2HO*        C  15 -21.242   4.799   2.805
  160    H1*    C  15           H1*        C  15 -21.099   3.154   1.023
  161   1H4     C  15          1H4         C  15 -15.063   1.199   0.785
  162   2H4     C  15          2H4         C  15 -14.768   2.143  -0.657
  163    H5     C  15           H5         C  15 -16.420   3.580  -1.656
  164    H6     C  15           H6         C  15 -18.703   4.455  -1.469
  165   1H5*    C  16          1H5*        C  16 -21.826   6.969   3.024
  166   2H5*    C  16          2H5*        C  16 -21.677   8.609   3.684
  167    H4*    C  16           H4*        C  16 -20.725   7.010   5.247
  168    H3*    C  16           H3*        C  16 -18.746   8.796   3.826
  169    H2*    C  16           H2*        C  16 -16.962   7.691   4.823
  170   2HO*    C  16          2HO*        C  16 -18.756   7.484   6.911
  171    H1*    C  16           H1*        C  16 -18.213   5.172   5.204
  172   1H4     C  16          1H4         C  16 -13.745   4.058   0.837
  173   2H4     C  16          2H4         C  16 -14.495   5.170  -0.288
  174    H5     C  16           H5         C  16 -16.460   6.461   0.244
  175    H6     C  16           H6         C  16 -18.108   6.992   1.981
  176   1H5*    G  17          1H5*        G  17 -19.040   9.035   8.666
  177   2H5*    G  17          2H5*        G  17 -18.408  10.651   9.045
  178    H4*    G  17           H4*        G  17 -17.578   8.890  10.593
  179    H3*    G  17           H3*        G  17 -15.616  10.418   8.884
  180    H2*    G  17           H2*        G  17 -13.826   9.138   9.706
  181   2HO*    G  17          2HO*        G  17 -14.110   7.781  11.585
  182    H1*    G  17           H1*        G  17 -15.102   6.699   9.863
  183    H8     G  17           H8         G  17 -16.102   8.426   6.660
  184    H1     G  17           H1         G  17 -10.379   5.587   6.297
  185   1H2     G  17          1H2         G  17  -9.722   4.940   8.324
  186   2H2     G  17          2H2         G  17 -10.687   5.215   9.756
  187   1H5*    G  18          1H5*        G  18 -13.512   9.791  11.965
  188   2H5*    G  18          2H5*        G  18 -13.385  11.252  12.962
  189    H4*    G  18           H4*        G  18 -11.198  10.447  12.950
  190    H3*    G  18           H3*        G  18 -11.505  12.510  10.769
  191    H2*    G  18           H2*        G  18  -9.378  12.057   9.947
  192   2HO*    G  18          2HO*        G  18  -8.613  10.781  12.360
  193    H1*    G  18           H1*        G  18  -9.161   9.362  10.797
  194    H8     G  18           H8         G  18 -12.201  10.118   8.637
  195    H1     G  18           H1         G  18  -6.901   8.874   5.275
  196   1H2     G  18          1H2         G  18  -5.145   8.792   6.627
  197   2H2     G  18          2H2         G  18  -5.275   9.042   8.353
  198   1H5*    G  19          1H5*        G  19  -7.649  12.713  11.945
  199   2H5*    G  19          2H5*        G  19  -7.421  14.251  12.800
  200    H4*    G  19           H4*        G  19  -5.567  14.146  11.379
  201    H3*    G  19           H3*        G  19  -7.743  15.805  10.121
  202    H2*    G  19           H2*        G  19  -6.620  15.919   8.097
  203   2HO*    G  19          2HO*        G  19  -4.505  16.230   7.975
  204    H1*    G  19           H1*        G  19  -5.065  13.551   8.318
  205    H8     G  19           H8         G  19  -8.928  13.616   8.470
  206    H1     G  19           H1         G  19  -6.469  12.359   2.693
  207   1H2     G  19          1H2         G  19  -4.257  12.518   2.757
  208   2H2     G  19          2H2         G  19  -3.387  12.934   4.217
  209   1H5*    G  20          1H5*        G  20  -7.369  20.137   9.258
  210   2H5*    G  20          2H5*        G  20  -8.414  19.177   8.190
  211    H4*    G  20           H4*        G  20  -5.420  19.547   8.087
  212    H3*    G  20           H3*        G  20  -7.720  20.175   6.284
  213    H2*    G  20           H2*        G  20  -6.710  19.308   4.354
  214   2HO*    G  20          2HO*        G  20  -4.407  19.994   5.699
  215    H1*    G  20           H1*        G  20  -5.531  17.096   5.367
  216    H8     G  20           H8         G  20  -8.530  17.046   7.468
  217    H1     G  20           H1         G  20 -10.079  15.985   1.350
  218   1H2     G  20          1H2         G  20  -8.374  16.467   0.038
  219   2H2     G  20          2H2         G  20  -6.852  17.064   0.656
  220   1H5*    A  21          1H5*        A  21  -8.991  23.909   5.647
  221   2H5*    A  21          2H5*        A  21  -8.935  22.333   4.831
  222    H4*    A  21           H4*        A  21  -9.405  24.738   3.597
  223    H3*    A  21           H3*        A  21  -8.644  22.032   2.655
  224    H2*    A  21           H2*        A  21  -7.548  22.691   0.714
  225   2HO*    A  21          2HO*        A  21  -8.188  24.366  -0.484
  226    H1*    A  21           H1*        A  21  -6.496  25.111   1.432
  227    H8     A  21           H8         A  21  -6.094  22.691   4.323
  228   1H6     A  21          1H6         A  21  -0.887  20.807   1.614
  229   2H6     A  21          2H6         A  21  -1.874  20.722   3.056
  230    H2     A  21           H2         A  21  -3.036  23.502  -1.271
  231   1H5*    A  22          1H5*        A  22 -10.427  19.847  -0.873
  232   2H5*    A  22          2H5*        A  22  -9.349  19.900   0.537
  233    H4*    A  22           H4*        A  22  -8.702  20.980  -2.229
  234    H3*    A  22           H3*        A  22  -8.042  18.374  -0.880
  235    H2*    A  22           H2*        A  22  -5.793  18.495  -1.481
  236   2HO*    A  22          2HO*        A  22  -5.143  20.030  -3.193
  237    H1*    A  22           H1*        A  22  -5.452  21.259  -1.439
  238    H8     A  22           H8         A  22  -6.980  20.875   1.812
  239   1H6     A  22          1H6         A  22  -1.830  18.190   3.914
  240   2H6     A  22          2H6         A  22  -3.348  18.936   4.361
  241    H2     A  22           H2         A  22  -1.620  18.265  -0.576
  242   1H5*    A  23          1H5*        A  23  -6.247  17.159  -5.789
  243   2H5*    A  23          2H5*        A  23  -6.919  15.618  -5.216
  244    H4*    A  23           H4*        A  23  -4.332  15.916  -5.829
  245    H3*    A  23           H3*        A  23  -5.626  14.187  -3.736
  246    H2*    A  23           H2*        A  23  -3.564  13.644  -2.758
  247   2HO*    A  23          2HO*        A  23  -2.611  13.216  -4.904
  248    H1*    A  23           H1*        A  23  -2.291  16.056  -3.027
  249    H8     A  23           H8         A  23  -6.028  16.080  -2.041
  250   1H6     A  23          1H6         A  23  -4.029  16.415   3.787
  251   2H6     A  23          2H6         A  23  -5.436  16.458   2.741
  252    H2     A  23           H2         A  23  -0.431  15.893   1.118
  253   1H5*    C  24          1H5*        C  24  -3.196  11.734  -5.670
  254   2H5*    C  24          2H5*        C  24  -3.486   9.984  -5.730
  255    H4*    C  24           H4*        C  24  -1.777  10.715  -4.031
  256    H3*    C  24           H3*        C  24  -4.237   9.170  -3.204
  257    H2*    C  24           H2*        C  24  -3.620   9.303  -0.951
  258   2HO*    C  24          2HO*        C  24  -1.023  10.236  -1.548
  259    H1*    C  24           H1*        C  24  -2.414  11.818  -1.004
  260   1H4     C  24          1H4         C  24  -8.126  12.721   1.663
  261   2H4     C  24          2H4         C  24  -8.908  12.572   0.105
  262    H5     C  24           H5         C  24  -7.716  12.055  -1.926
  263    H6     C  24           H6         C  24  -5.527  11.524  -2.892
  264   1H5*    U  25          1H5*        U  25  -1.470   7.896  -1.009
  265   2H5*    U  25          2H5*        U  25  -1.141   6.152  -1.002
  266    H4*    U  25           H4*        U  25  -1.455   6.890   1.274
  267    H3*    U  25           H3*        U  25  -3.733   5.253   0.152
  268    H2*    U  25           H2*        U  25  -4.965   5.549   2.107
  269   2HO*    U  25          2HO*        U  25  -2.462   6.034   3.371
  270    H1*    U  25           H1*        U  25  -3.879   8.046   2.889
  271    H3     U  25           H3         U  25  -8.309   8.923   2.785
  272    H5     U  25           H5         U  25  -7.289   8.362  -1.269
  273    H6     U  25           H6         U  25  -5.068   7.699  -0.549
  274   1H5*    U  26          1H5*        U  26  -2.674   4.318   3.754
  275   2H5*    U  26          2H5*        U  26  -2.050   2.712   4.178
  276    H4*    U  26           H4*        U  26  -3.446   3.136   5.971
  277    H3*    U  26           H3*        U  26  -5.100   1.716   3.879
  278    H2*    U  26           H2*        U  26  -7.020   1.988   5.178
  279   2HO*    U  26          2HO*        U  26  -5.189   2.157   7.321
  280    H1*    U  26           H1*        U  26  -6.360   4.434   6.376
  281    H3     U  26           H3         U  26 -10.032   5.757   4.140
  282    H5     U  26           H5         U  26  -7.465   4.435   1.074
  283    H6     U  26           H6         U  26  -5.894   3.727   2.781
  284   1H5*    G  27          1H5*        G  27  -5.876   0.349   7.634
  285   2H5*    G  27          2H5*        G  27  -6.422  -1.332   7.789
  286    H4*    G  27           H4*        G  27  -8.098   0.328   8.581
  287    H3*    G  27           H3*        G  27  -8.842  -1.404   6.207
  288    H2*    G  27           H2*        G  27 -10.923  -0.349   6.137
  289   2HO*    G  27          2HO*        G  27 -11.733   0.794   8.016
  290    H1*    G  27           H1*        G  27 -10.077   2.136   7.233
  291    H8     G  27           H8         G  27  -8.409   0.767   4.033
  292    H1     G  27           H1         G  27 -13.491   4.540   3.063
  293   1H2     G  27          1H2         G  27 -14.457   5.012   5.009
  294   2H2     G  27          2H2         G  27 -13.848   4.400   6.530
  295   1H5*    G  28          1H5*        G  28 -11.651  -2.633   9.806
  296   2H5*    G  28          2H5*        G  28 -11.890  -4.374   9.554
  297    H4*    G  28           H4*        G  28 -14.034  -3.250   9.896
  298    H3*    G  28           H3*        G  28 -13.526  -4.354   7.127
  299    H2*    G  28           H2*        G  28 -15.623  -3.552   6.408
  300   2HO*    G  28          2HO*        G  28 -17.138  -2.704   8.031
  301    H1*    G  28           H1*        G  28 -15.601  -1.158   7.760
  302    H8     G  28           H8         G  28 -12.222  -2.149   6.230
  303    H1     G  28           H1         G  28 -16.088   1.017   2.228
  304   1H2     G  28          1H2         G  28 -18.081   1.299   3.165
  305   2H2     G  28          2H2         G  28 -18.465   0.698   4.762
  306   1H5*    U  29          1H5*        U  29 -17.320  -6.377   7.885
  307   2H5*    U  29          2H5*        U  29 -17.035  -8.066   7.418
  308    H4*    U  29           H4*        U  29 -18.899  -7.133   6.147
  309    H3*    U  29           H3*        U  29 -16.384  -7.697   4.563
  310    H2*    U  29           H2*        U  29 -17.408  -6.882   2.629
  311   2HO*    U  29          2HO*        U  29 -19.983  -6.934   3.794
  312    H1*    U  29           H1*        U  29 -19.076  -4.970   3.854
  313    H3     U  29           H3         U  29 -16.599  -2.462   1.015
  314    H5     U  29           H5         U  29 -13.841  -3.695   3.957
  315    H6     U  29           H6         U  29 -15.577  -5.105   4.898
  316   1H5*    U  30          1H5*        U  30 -19.963  -9.154   2.836
  317   2H5*    U  30          2H5*        U  30 -19.843 -10.808   2.206
  318    H4*    U  30           H4*        U  30 -20.932  -9.388   0.564
  319    H3*    U  30           H3*        U  30 -18.126 -10.258  -0.167
  320    H2*    U  30           H2*        U  30 -18.294  -9.067  -2.186
  321   2HO*    U  30          2HO*        U  30 -20.699  -8.158  -2.450
  322    H1*    U  30           H1*        U  30 -19.790  -6.925  -1.231
  323    H3     U  30           H3         U  30 -15.924  -4.900  -2.354
  324    H5     U  30           H5         U  30 -14.875  -7.268   0.972
  325    H6     U  30           H6         U  30 -17.111  -8.211   0.921
  326   1H5*    C  31          1H5*        C  31 -20.526 -10.768  -3.649
  327   2H5*    C  31          2H5*        C  31 -19.967 -12.211  -4.519
  328    H4*    C  31           H4*        C  31 -19.862 -10.067  -5.839
  329    H3*    C  31           H3*        C  31 -17.331 -11.663  -5.360
  330    H2*    C  31           H2*        C  31 -16.125 -10.071  -6.573
  331   2HO*    C  31          2HO*        C  31 -16.957  -9.531  -8.419
  332    H1*    C  31           H1*        C  31 -17.708  -7.830  -5.916
  333   1H4     C  31          1H4         C  31 -12.292  -6.956  -2.707
  334   2H4     C  31          2H4         C  31 -12.705  -8.244  -1.597
  335    H5     C  31           H5         C  31 -14.669  -9.618  -1.840
  336    H6     C  31           H6         C  31 -16.652 -10.066  -3.209
  337   1H5*    U  32          1H5*        U  32 -17.571 -11.280  -9.840
  338   2H5*    U  32          2H5*        U  32 -17.120 -12.890 -10.440
  339    H4*    U  32           H4*        U  32 -15.743 -11.137 -11.472
  340    H3*    U  32           H3*        U  32 -14.370 -13.094  -9.629
  341    H2*    U  32           H2*        U  32 -12.329 -11.975  -9.874
  342   2HO*    U  32          2HO*        U  32 -12.391 -10.198 -11.661
  343    H1*    U  32           H1*        U  32 -13.300  -9.378 -10.072
  344    H3     U  32           H3         U  32 -11.049  -9.124  -6.186
  345    H5     U  32           H5         U  32 -14.253 -11.704  -5.291
  346    H6     U  32           H6         U  32 -14.873 -11.634  -7.636
  347   1H5*    U  33          1H5*        U  33 -12.350 -12.404 -13.421
  348   2H5*    U  33          2H5*        U  33 -11.645 -13.888 -14.093
  349    H4*    U  33           H4*        U  33 -10.043 -11.996 -14.062
  350    H3*    U  33           H3*        U  33  -9.446 -14.463 -12.435
  351    H2*    U  33           H2*        U  33  -7.541 -13.489 -11.508
  352   2HO*    U  33          2HO*        U  33  -7.196 -11.242 -12.949
  353    H1*    U  33           H1*        U  33  -8.378 -10.819 -11.488
  354    H3     U  33           H3         U  33  -7.769 -11.563  -7.076
  355    H5     U  33           H5         U  33 -11.067 -13.995  -8.054
  356    H6     U  33           H6         U  33 -10.738 -13.396 -10.382
  357   1H5*    C  34          1H5*        C  34  -5.087 -13.847 -15.049
  358   2H5*    C  34          2H5*        C  34  -4.601 -15.436 -14.424
  359    H4*    C  34           H4*        C  34  -3.594 -12.887 -13.695
  360    H3*    C  34           H3*        C  34  -3.117 -15.719 -12.802
  361    H2*    C  34           H2*        C  34  -2.247 -15.060 -10.760
  362   2HO*    C  34          2HO*        C  34  -0.951 -13.364 -12.259
  363    H1*    C  34           H1*        C  34  -3.508 -12.528 -10.523
  364   1H4     C  34          1H4         C  34  -5.936 -16.197  -5.902
  365   2H4     C  34          2H4         C  34  -7.140 -16.781  -7.027
  366    H5     C  34           H5         C  34  -7.122 -16.251  -9.373
  367    H6     C  34           H6         C  34  -5.960 -15.023 -11.148
  368   1H5*    C  35          1H5*        C  35   2.132 -16.220 -12.853
  369   2H5*    C  35          2H5*        C  35   0.921 -17.042 -11.849
  370    H4*    C  35           H4*        C  35   2.791 -14.792 -11.091
  371    H3*    C  35           H3*        C  35   2.451 -17.645 -10.274
  372    H2*    C  35           H2*        C  35   2.484 -17.220  -7.995
  373   2HO*    C  35          2HO*        C  35   4.024 -14.966  -8.743
  374    H1*    C  35           H1*        C  35   1.444 -14.638  -7.919
  375   1H4     C  35          1H4         C  35  -3.126 -18.679  -5.974
  376   2H4     C  35          2H4         C  35  -3.690 -18.794  -7.625
  377    H5     C  35           H5         C  35  -2.558 -17.767  -9.482
  378    H6     C  35           H6         C  35  -0.622 -16.432 -10.166
  379   1H5*    U  36          1H5*        U  36   5.471 -20.578  -9.601
  380   2H5*    U  36          2H5*        U  36   3.781 -20.955  -9.213
  381    H4*    U  36           H4*        U  36   5.660 -19.172  -7.629
  382    H3*    U  36           H3*        U  36   4.700 -21.987  -7.263
  383    H2*    U  36           H2*        U  36   4.080 -21.672  -5.043
  384   2HO*    U  36          2HO*        U  36   5.396 -19.216  -4.730
  385    H1*    U  36           H1*        U  36   3.328 -19.003  -5.105
  386    H3     U  36           H3         U  36  -0.203 -21.795  -4.021
  387    H5     U  36           H5         U  36  -0.265 -21.317  -8.212
  388    H6     U  36           H6         U  36   1.903 -20.231  -8.049
  389   1H5*    A  37          1H5*        A  37   8.354 -23.955  -4.347
  390   2H5*    A  37          2H5*        A  37   7.481 -25.200  -5.265
  391    H4*    A  37           H4*        A  37   7.100 -24.259  -2.488
  392    H3*    A  37           H3*        A  37   7.506 -26.736  -3.627
  393    H2*    A  37           H2*        A  37   5.427 -27.076  -4.640
  394   2HO*    A  37          2HO*        A  37   4.154 -28.287  -3.314
  395    H1*    A  37           H1*        A  37   3.849 -25.617  -2.572
  396    H8     A  37           H8         A  37   4.837 -24.845  -6.262
  397   1H6     A  37          1H6         A  37  -1.220 -25.266  -7.407
  398   2H6     A  37          2H6         A  37   0.354 -24.928  -8.094
  399    H2     A  37           H2         A  37  -0.566 -26.203  -3.060
  400   1H5*    A  38          1H5*        A  38   8.587 -26.817   1.417
  401   2H5*    A  38          2H5*        A  38   8.730 -28.576   1.614
  402    H4*    A  38           H4*        A  38   7.812 -27.556   3.636
  403    H3*    A  38           H3*        A  38   6.100 -29.422   2.041
  404    H2*    A  38           H2*        A  38   4.140 -28.907   3.184
  405   2HO*    A  38          2HO*        A  38   4.716 -29.249   5.263
  406    H1*    A  38           H1*        A  38   4.594 -26.254   3.815
  407    H8     A  38           H8         A  38   5.535 -26.253   0.278
  408   1H6     A  38          1H6         A  38  -0.446 -26.596  -1.224
  409   2H6     A  38          2H6         A  38   1.171 -26.284  -1.816
  410    H2     A  38           H2         A  38  -0.067 -27.512   3.161
  411   1H5*    G  39          1H5*        G  39   4.681 -32.491   5.594
  412   2H5*    G  39          2H5*        G  39   3.991 -33.145   4.096
  413    H4*    G  39           H4*        G  39   2.760 -31.489   6.142
  414    H3*    G  39           H3*        G  39   1.846 -33.264   3.925
  415    H2*    G  39           H2*        G  39  -0.025 -32.006   3.359
  416   2HO*    G  39          2HO*        G  39   0.079 -30.426   5.691
  417    H1*    G  39           H1*        G  39   0.852 -29.466   3.829
  418    H8     G  39           H8         G  39   3.837 -30.985   2.259
  419    H1     G  39           H1         G  39  -0.841 -30.033  -2.005
  420   1H2     G  39          1H2         G  39  -2.745 -29.580  -0.958
  421   2H2     G  39          2H2         G  39  -2.864 -29.512   0.787
  422   1H5*    U  40          1H5*        U  40  -2.042 -32.910   6.184
  423   2H5*    U  40          2H5*        U  40  -2.421 -34.629   6.422
  424    H4*    U  40           H4*        U  40  -4.242 -33.302   5.309
  425    H3*    U  40           H3*        U  40  -3.035 -35.750   4.067
  426    H2*    U  40           H2*        U  40  -4.083 -35.425   2.009
  427   2HO*    U  40          2HO*        U  40  -5.827 -33.465   2.346
  428    H1*    U  40           H1*        U  40  -4.108 -32.670   1.896
  429    H3     U  40           H3         U  40  -1.295 -33.855  -1.462
  430    H5     U  40           H5         U  40   0.967 -34.428   2.049
  431    H6     U  40           H6         U  40  -1.038 -33.976   3.338
  432   1H5*    C  41          1H5*        C  41  -6.648 -35.641   3.233
  433   2H5*    C  41          2H5*        C  41  -7.860 -36.884   3.611
  434    H4*    C  41           H4*        C  41  -8.088 -36.447   1.290
  435    H3*    C  41           H3*        C  41  -6.541 -38.981   1.834
  436    H2*    C  41           H2*        C  41  -6.080 -39.268  -0.427
  437   2HO*    C  41          2HO*        C  41  -7.404 -37.983  -2.006
  438    H1*    C  41           H1*        C  41  -6.060 -36.564  -1.205
  439   1H4     C  41          1H4         C  41   0.036 -38.342  -1.434
  440   2H4     C  41          2H4         C  41   0.106 -38.463   0.310
  441    H5     C  41           H5         C  41  -1.805 -38.112   1.734
  442    H6     C  41           H6         C  41  -4.201 -37.596   1.794
  443   1H5*    C  42          1H5*        C  42  -9.757 -39.206  -1.242
  444   2H5*    C  42          2H5*        C  42 -10.732 -40.660  -0.947
  445    H4*    C  42           H4*        C  42 -10.341 -40.431  -3.327
  446    H3*    C  42           H3*        C  42  -8.891 -42.696  -1.964
  447    H2*    C  42           H2*        C  42  -7.779 -43.271  -3.955
  448   2HO*    C  42          2HO*        C  42  -8.458 -42.543  -5.983
  449    H1*    C  42           H1*        C  42  -7.264 -40.750  -4.886
  450   1H4     C  42          1H4         C  42  -1.998 -42.217  -1.622
  451   2H4     C  42          2H4         C  42  -2.846 -42.018  -0.107
  452    H5     C  42           H5         C  42  -5.195 -41.535   0.037
  453    H6     C  42           H6         C  42  -7.248 -41.134  -1.236
  454   1H5*    U  43          1H5*        U  43  -9.942 -43.795  -5.600
  455   2H5*    U  43          2H5*        U  43 -10.561 -45.448  -5.791
  456    H4*    U  43           H4*        U  43  -8.522 -44.934  -7.166
  457    H3*    U  43           H3*        U  43  -8.488 -47.158  -5.135
  458    H2*    U  43           H2*        U  43  -6.230 -47.481  -5.399
  459   2HO*    U  43          2HO*        U  43  -5.860 -48.082  -7.386
  460    H1*    U  43           H1*        U  43  -5.654 -44.931  -6.658
  461    H3     U  43           H3         U  43  -2.120 -45.344  -3.886
  462    H5     U  43           H5         U  43  -5.418 -44.995  -1.280
  463    H6     U  43           H6         U  43  -6.873 -45.111  -3.217
  464    H3T    U  43           H3T        U  43  -8.545 -48.363  -7.064
  465   1H5*    G  44          1H5*        G  44  -7.153  45.561  -0.294
  466   2H5*    G  44          2H5*        G  44  -7.670  44.080  -1.125
  467    H4*    G  44           H4*        G  44  -7.140  45.430  -2.922
  468    H3*    G  44           H3*        G  44  -4.803  43.719  -2.205
  469    H2*    G  44           H2*        G  44  -3.235  44.950  -3.427
  470   2HO*    G  44          2HO*        G  44  -5.453  45.537  -4.974
  471    H1*    G  44           H1*        G  44  -4.118  47.478  -3.003
  472    H8     G  44           H8         G  44  -4.816  46.061   0.315
  473    H1     G  44           H1         G  44   1.494  46.511  -0.687
  474   1H2     G  44          1H2         G  44   1.894  46.921  -2.832
  475   2H2     G  44          2H2         G  44   0.615  47.079  -4.014
  476    H5T    G  44           H5T        G  44  -6.151  43.811   0.651
  477   1H5*    G  45          1H5*        G  45  -4.041  44.143  -5.802
  478   2H5*    G  45          2H5*        G  45  -4.032  42.700  -6.836
  479    H4*    G  45           H4*        G  45  -1.920  43.851  -7.079
  480    H3*    G  45           H3*        G  45  -1.801  41.249  -5.553
  481    H2*    G  45           H2*        G  45   0.465  41.553  -5.089
  482   2HO*    G  45          2HO*        G  45   1.471  43.450  -6.454
  483    H1*    G  45           H1*        G  45   0.504  44.360  -4.997
  484    H8     G  45           H8         G  45  -2.239  43.121  -2.758
  485    H1     G  45           H1         G  45   3.565  42.546  -0.120
  486   1H2     G  45          1H2         G  45   5.131  42.892  -1.645
  487   2H2     G  45          2H2         G  45   4.754  43.260  -3.313
  488   1H5*    G  46          1H5*        G  46   1.238  40.927  -8.315
  489   2H5*    G  46          2H5*        G  46   1.146  39.454  -9.304
  490    H4*    G  46           H4*        G  46   3.351  39.581  -8.347
  491    H3*    G  46           H3*        G  46   1.558  37.482  -7.134
  492    H2*    G  46           H2*        G  46   3.158  36.936  -5.521
  493   2HO*    G  46          2HO*        G  46   5.406  37.938  -5.929
  494    H1*    G  46           H1*        G  46   4.299  39.457  -5.172
  495    H8     G  46           H8         G  46   0.463  39.359  -5.129
  496    H1     G  46           H1         G  46   3.222  38.307   0.553
  497   1H2     G  46          1H2         G  46   5.419  38.117   0.299
  498   2H2     G  46          2H2         G  46   6.200  38.243  -1.260
  499   1H5*    A  47          1H5*        A  47   5.561  35.953  -8.019
  500   2H5*    A  47          2H5*        A  47   5.450  34.382  -8.838
  501    H4*    A  47           H4*        A  47   7.096  34.346  -7.004
  502    H3*    A  47           H3*        A  47   4.651  32.601  -6.803
  503    H2*    A  47           H2*        A  47   5.204  31.908  -4.638
  504   2HO*    A  47          2HO*        A  47   7.658  32.907  -4.227
  505    H1*    A  47           H1*        A  47   6.343  34.251  -3.700
  506    H8     A  47           H8         A  47   3.060  34.592  -5.691
  507   1H6     A  47          1H6         A  47   0.220  34.230  -0.217
  508   2H6     A  47          2H6         A  47   0.009  34.502  -1.932
  509    H2     A  47           H2         A  47   4.605  33.492   0.450
  510   1H5*    U  48          1H5*        U  48   7.942  29.922  -5.771
  511   2H5*    U  48          2H5*        U  48   7.449  28.272  -6.201
  512    H4*    U  48           H4*        U  48   7.819  28.847  -3.702
  513    H3*    U  48           H3*        U  48   5.496  27.328  -4.850
  514    H2*    U  48           H2*        U  48   4.298  27.377  -2.861
  515   2HO*    U  48          2HO*        U  48   6.861  27.387  -1.747
  516    H1*    U  48           H1*        U  48   5.279  29.766  -1.769
  517    H3     U  48           H3         U  48   0.840  30.591  -2.053
  518    H5     U  48           H5         U  48   2.160  30.667  -6.055
  519    H6     U  48           H6         U  48   4.333  29.908  -5.284
  520   1H5*    A  49          1H5*        A  49   8.754  23.267  -1.573
  521   2H5*    A  49          2H5*        A  49   7.021  22.923  -1.741
  522    H4*    A  49           H4*        A  49   8.170  24.454   0.606
  523    H3*    A  49           H3*        A  49   8.775  21.789   0.235
  524    H2*    A  49           H2*        A  49   6.604  20.899   0.251
  525   2HO*    A  49          2HO*        A  49   7.609  20.130   2.187
  526    H1*    A  49           H1*        A  49   5.582  22.862   2.272
  527    H8     A  49           H8         A  49   4.928  21.960  -1.475
  528   1H6     A  49          1H6         A  49  -0.925  21.151   0.334
  529   2H6     A  49          2H6         A  49   0.175  21.109  -1.023
  530    H2     A  49           H2         A  49   1.492  22.295   3.941
  531   1H5*    U  50          1H5*        U  50   9.122  22.363   5.712
  532   2H5*    U  50          2H5*        U  50   9.242  20.598   5.863
  533    H4*    U  50           H4*        U  50   7.648  21.109   7.471
  534    H3*    U  50           H3*        U  50   6.627  19.761   5.260
  535    H2*    U  50           H2*        U  50   5.457  21.540   4.273
  536   2HO*    U  50          2HO*        U  50   3.344  21.417   4.868
  537    H1*    U  50           H1*        U  50   4.784  22.781   6.925
  538    H3     U  50           H3         U  50   6.320  26.990   4.950
  539    H5     U  50           H5         U  50   3.479  24.965   2.581
  540    H6     U  50           H6         U  50   3.819  23.003   3.971
  541   1H5*    G  51          1H5*        G  51   2.437  20.377   6.468
  542   2H5*    G  51          2H5*        G  51   2.366  18.982   7.565
  543    H4*    G  51           H4*        G  51   0.333  18.890   6.395
  544    H3*    G  51           H3*        G  51   2.370  16.985   5.303
  545    H2*    G  51           H2*        G  51   1.152  16.498   3.383
  546   2HO*    G  51          2HO*        G  51  -0.948  16.855   5.094
  547    H1*    G  51           H1*        G  51  -0.126  18.915   2.963
  548    H8     G  51           H8         G  51   3.496  19.582   3.736
  549    H1     G  51           H1         G  51   2.549  17.695  -2.304
  550   1H2     G  51          1H2         G  51   0.477  16.965  -2.555
  551   2H2     G  51          2H2         G  51  -0.677  16.939  -1.244
  552   1H5*    G  52          1H5*        G  52   1.344  12.709   4.958
  553   2H5*    G  52          2H5*        G  52   2.628  13.476   4.002
  554    H4*    G  52           H4*        G  52  -0.157  12.684   3.136
  555    H3*    G  52           H3*        G  52   2.629  11.878   2.372
  556    H2*    G  52           H2*        G  52   2.172  11.905   0.080
  557   2HO*    G  52          2HO*        G  52   0.283  11.346  -0.720
  558    H1*    G  52           H1*        G  52   0.457  14.040  -0.043
  559    H8     G  52           H8         G  52   2.970  15.372   2.280
  560    H1     G  52           H1         G  52   5.393  14.764  -3.617
  561   1H2     G  52          1H2         G  52   4.036  13.532  -4.865
  562   2H2     G  52          2H2         G  52   2.544  12.856  -4.253
  563   1H5*    A  53          1H5*        A  53   0.277   8.401   1.256
  564   2H5*    A  53          2H5*        A  53   1.130   6.860   1.481
  565    H4*    A  53           H4*        A  53   0.690   7.526  -0.921
  566    H3*    A  53           H3*        A  53   3.456   6.906   0.098
  567    H2*    A  53           H2*        A  53   4.429   7.515  -1.934
  568   2HO*    A  53          2HO*        A  53   2.594   7.831  -3.729
  569    H1*    A  53           H1*        A  53   2.612   9.488  -2.719
  570    H8     A  53           H8         A  53   3.618  10.268   0.793
  571   1H6     A  53          1H6         A  53   8.761  12.810  -1.494
  572   2H6     A  53          2H6         A  53   7.766  12.607  -0.069
  573    H2     A  53           H2         A  53   6.747  10.545  -4.811
  574   1H5*    A  54          1H5*        A  54   2.676   4.618  -3.497
  575   2H5*    A  54          2H5*        A  54   3.258   2.944  -3.393
  576    H4*    A  54           H4*        A  54   4.088   4.091  -5.417
  577    H3*    A  54           H3*        A  54   6.088   3.214  -3.336
  578    H2*    A  54           H2*        A  54   7.855   4.179  -4.541
  579   2HO*    A  54          2HO*        A  54   7.692   4.710  -6.731
  580    H1*    A  54           H1*        A  54   6.547   6.415  -5.480
  581    H8     A  54           H8         A  54   5.688   5.740  -1.822
  582   1H6     A  54          1H6         A  54  10.774   8.978  -0.446
  583   2H6     A  54          2H6         A  54   9.332   8.229   0.199
  584    H2     A  54           H2         A  54  10.753   8.248  -4.878
  585   1H5*    G  55          1H5*        G  55   7.619   1.231  -6.993
  586   2H5*    G  55          2H5*        G  55   8.297  -0.333  -6.498
  587    H4*    G  55           H4*        G  55   9.949   1.204  -7.587
  588    H3*    G  55           H3*        G  55  10.424   0.275  -4.745
  589    H2*    G  55           H2*        G  55  12.428   1.514  -4.683
  590   2HO*    G  55          2HO*        G  55  13.520   2.150  -6.519
  591    H1*    G  55           H1*        G  55  11.573   3.670  -6.212
  592    H8     G  55           H8         G  55   9.027   2.624  -3.575
  593    H1     G  55           H1         G  55  13.683   6.391  -1.330
  594   1H2     G  55          1H2         G  55  15.261   6.649  -2.865
  595   2H2     G  55          2H2         G  55  15.169   5.895  -4.440
  596   1H5*    A  56          1H5*        A  56  14.000  -0.363  -6.404
  597   2H5*    A  56          2H5*        A  56  14.553  -2.039  -6.221
  598    H4*    A  56           H4*        A  56  16.290  -0.627  -5.378
  599    H3*    A  56           H3*        A  56  14.693  -1.981  -3.203
  600    H2*    A  56           H2*        A  56  15.834  -0.809  -1.555
  601   2HO*    A  56          2HO*        A  56  17.933  -0.571  -1.635
  602    H1*    A  56           H1*        A  56  16.544   1.475  -3.091
  603    H8     A  56           H8         A  56  12.824   0.552  -2.749
  604   1H6     A  56          1H6         A  56  12.779   4.456   2.041
  605   2H6     A  56          2H6         A  56  11.799   3.465   0.987
  606    H2     A  56           H2         A  56  17.037   3.975   0.689
  607   1H5*    A  57          1H5*        A  57  19.410  -2.701  -2.992
  608   2H5*    A  57          2H5*        A  57  19.530  -4.352  -2.349
  609    H4*    A  57           H4*        A  57  21.110  -2.829  -1.236
  610    H3*    A  57           H3*        A  57  18.890  -4.027   0.415
  611    H2*    A  57           H2*        A  57  19.546  -2.796   2.310
  612   2HO*    A  57          2HO*        A  57  21.964  -3.182   1.363
  613    H1*    A  57           H1*        A  57  20.181  -0.435   1.074
  614    H8     A  57           H8         A  57  17.091  -2.223  -0.359
  615   1H6     A  57          1H6         A  57  13.811   1.088   3.683
  616   2H6     A  57          2H6         A  57  13.737  -0.018   2.331
  617    H2     A  57           H2         A  57  18.170   1.805   4.531
  618   1H5*    C  58          1H5*        C  58  21.489  -4.043   2.926
  619   2H5*    C  58          2H5*        C  58  22.189  -5.606   3.391
  620    H4*    C  58           H4*        C  58  21.721  -4.755   5.472
  621    H3*    C  58           H3*        C  58  19.161  -6.125   4.607
  622    H2*    C  58           H2*        C  58  18.113  -5.362   6.558
  623   2HO*    C  58          2HO*        C  58  20.361  -4.405   7.865
  624    H1*    C  58           H1*        C  58  19.504  -2.933   6.802
  625   1H4     C  58          1H4         C  58  13.709  -1.261   4.769
  626   2H4     C  58          2H4         C  58  14.002  -2.002   3.212
  627    H5     C  58           H5         C  58  16.014  -3.212   2.681
  628    H6     C  58           H6         C  58  18.182  -3.983   3.529
  629   1H5*    C  59          1H5*        C  59  20.059  -6.976   8.771
  630   2H5*    C  59          2H5*        C  59  19.457  -8.592   9.193
  631    H4*    C  59           H4*        C  59  18.520  -6.726  10.593
  632    H3*    C  59           H3*        C  59  16.661  -8.470   8.961
  633    H2*    C  59           H2*        C  59  14.829  -7.243   9.748
  634   2HO*    C  59          2HO*        C  59  15.079  -5.831  11.618
  635    H1*    C  59           H1*        C  59  16.114  -4.755   9.954
  636   1H4     C  59          1H4         C  59  12.450  -4.237   4.791
  637   2H4     C  59          2H4         C  59  13.441  -5.386   3.919
  638    H5     C  59           H5         C  59  15.308  -6.542   4.915
  639    H6     C  59           H6         C  59  16.610  -6.863   6.967
  640   1H5*    G  60          1H5*        G  60  16.026  -8.749  13.769
  641   2H5*    G  60          2H5*        G  60  15.533 -10.445  13.935
  642    H4*    G  60           H4*        G  60  14.191  -8.981  15.377
  643    H3*    G  60           H3*        G  60  12.775 -10.379  13.110
  644    H2*    G  60           H2*        G  60  10.748  -9.306  13.649
  645   2HO*    G  60          2HO*        G  60  11.055  -7.885  15.772
  646    H1*    G  60           H1*        G  60  11.747  -6.828  14.228
  647    H8     G  60           H8         G  60  13.723  -8.205  11.330
  648    H1     G  60           H1         G  60   8.039  -5.850   9.577
  649   1H2     G  60          1H2         G  60   6.801  -5.429  11.375
  650   2H2     G  60          2H2         G  60   7.373  -5.735  13.000
  651   1H5*    G  61          1H5*        G  61   9.839 -10.355  15.520
  652   2H5*    G  61          2H5*        G  61   9.584 -11.986  16.170
  653    H4*    G  61           H4*        G  61   7.439 -11.322  15.514
  654    H3*    G  61           H3*        G  61   8.689 -12.952  13.297
  655    H2*    G  61           H2*        G  61   6.858 -12.539  11.915
  656   2HO*    G  61          2HO*        G  61   4.985 -11.504  13.506
  657    H1*    G  61           H1*        G  61   6.086 -10.043  13.023
  658    H8     G  61           H8         G  61   9.676  -9.980  11.881
  659    H1     G  61           H1         G  61   5.515  -9.184   7.087
  660   1H2     G  61          1H2         G  61   3.456  -9.626   7.784
  661   2H2     G  61          2H2         G  61   3.108 -10.120   9.426
  662   1H5*    G  62          1H5*        G  62   4.552 -13.659  13.579
  663   2H5*    G  62          2H5*        G  62   4.297 -15.395  13.847
  664    H4*    G  62           H4*        G  62   2.773 -14.544  12.131
  665    H3*    G  62           H3*        G  62   4.900 -16.491  11.248
  666    H2*    G  62           H2*        G  62   4.317 -16.231   9.017
  667   2HO*    G  62          2HO*        G  62   1.969 -15.084   8.896
  668    H1*    G  62           H1*        G  62   3.174 -13.628   9.183
  669    H8     G  62           H8         G  62   6.839 -14.198  10.217
  670    H1     G  62           H1         G  62   6.005 -12.557   4.085
  671   1H2     G  62          1H2         G  62   3.841 -12.512   3.597
  672   2H2     G  62          2H2         G  62   2.605 -12.886   4.777
  673   1H5*    G  63          1H5*        G  63   4.462 -20.640  10.273
  674   2H5*    G  63          2H5*        G  63   5.847 -19.714   9.657
  675    H4*    G  63           H4*        G  63   2.965 -19.642   8.749
  676    H3*    G  63           H3*        G  63   5.573 -20.436   7.520
  677    H2*    G  63           H2*        G  63   5.212 -19.271   5.523
  678   2HO*    G  63          2HO*        G  63   2.642 -19.913   6.033
  679    H1*    G  63           H1*        G  63   3.989 -17.034   6.467
  680    H8     G  63           H8         G  63   6.437 -17.500   9.159
  681    H1     G  63           H1         G  63   9.373 -15.967   3.683
  682   1H2     G  63          1H2         G  63   7.962 -16.121   1.999
  683   2H2     G  63          2H2         G  63   6.297 -16.616   2.205
  684   1H5*    A  64          1H5*        A  64   6.740 -23.938   6.960
  685   2H5*    A  64          2H5*        A  64   7.280 -22.323   6.453
  686    H4*    A  64           H4*        A  64   8.060 -24.517   5.175
  687    H3*    A  64           H3*        A  64   7.524 -21.767   4.153
  688    H2*    A  64           H2*        A  64   7.339 -22.385   1.909
  689   2HO*    A  64          2HO*        A  64   8.447 -24.942   2.441
  690    H1*    A  64           H1*        A  64   6.138 -24.821   2.128
  691    H8     A  64           H8         A  64   4.747 -22.351   4.692
  692   1H6     A  64          1H6         A  64   0.665 -20.740   0.356
  693   2H6     A  64          2H6         A  64   1.129 -20.564   2.035
  694    H2     A  64           H2         A  64   3.688 -23.459  -1.549
  695   1H5*    A  65          1H5*        A  65  10.765 -19.966   1.485
  696   2H5*    A  65          2H5*        A  65   9.493 -18.838   1.994
  697    H4*    A  65           H4*        A  65   9.715 -20.464  -0.438
  698    H3*    A  65           H3*        A  65   8.322 -17.942   0.399
  699    H2*    A  65           H2*        A  65   6.508 -18.275  -1.024
  700   2HO*    A  65          2HO*        A  65   7.133 -20.322  -2.580
  701    H1*    A  65           H1*        A  65   6.316 -21.024  -0.955
  702    H8     A  65           H8         A  65   6.730 -20.407   2.615
  703   1H6     A  65          1H6         A  65   0.946 -18.258   2.833
  704   2H6     A  65          2H6         A  65   2.309 -18.818   3.776
  705    H2     A  65           H2         A  65   2.184 -18.460  -1.485
  706   1H5*    A  66          1H5*        A  66   9.218 -14.732  -3.897
  707   2H5*    A  66          2H5*        A  66   8.474 -14.305  -2.344
  708    H4*    A  66           H4*        A  66   7.242 -14.784  -4.970
  709    H3*    A  66           H3*        A  66   6.634 -13.186  -2.518
  710    H2*    A  66           H2*        A  66   4.316 -13.496  -2.632
  711   2HO*    A  66          2HO*        A  66   3.865 -12.975  -4.716
  712    H1*    A  66           H1*        A  66   4.184 -16.067  -3.452
  713    H8     A  66           H8         A  66   7.190 -15.726  -1.167
  714   1H6     A  66          1H6         A  66   3.299 -16.595   3.551
  715   2H6     A  66          2H6         A  66   4.984 -16.497   3.079
  716    H2     A  66           H2         A  66   0.849 -16.041  -0.191
  717   1H5*    C  67          1H5*        C  67   4.779 -10.817  -4.768
  718   2H5*    C  67          2H5*        C  67   4.922  -9.078  -4.448
  719    H4*    C  67           H4*        C  67   2.918 -10.190  -3.401
  720    H3*    C  67           H3*        C  67   4.949  -8.772  -1.658
  721    H2*    C  67           H2*        C  67   3.642  -9.289   0.235
  722   2HO*    C  67          2HO*        C  67   1.611  -9.234  -1.599
  723    H1*    C  67           H1*        C  67   2.878 -11.828  -0.547
  724   1H4     C  67          1H4         C  67   7.784 -12.563   3.456
  725   2H4     C  67          2H4         C  67   8.910 -12.270   2.148
  726    H5     C  67           H5         C  67   8.213 -11.658  -0.080
  727    H6     C  67           H6         C  67   6.294 -11.169  -1.521
  728   1H5*    U  68          1H5*        U  68   1.491  -7.915  -0.354
  729   2H5*    U  68          2H5*        U  68   1.082  -6.209  -0.083
  730    H4*    U  68           H4*        U  68   0.648  -7.565   1.919
  731    H3*    U  68           H3*        U  68   2.885  -5.536   2.126
  732    H2*    U  68           H2*        U  68   3.240  -6.183   4.356
  733   2HO*    U  68          2HO*        U  68   1.658  -7.331   5.544
  734    H1*    U  68           H1*        U  68   2.593  -8.897   4.046
  735    H3     U  68           H3         U  68   6.927  -8.785   5.463
  736    H5     U  68           H5         U  68   7.099  -7.884   1.349
  737    H6     U  68           H6         U  68   4.682  -7.740   1.345
  738   1H5*    U  69          1H5*        U  69   1.026  -5.220   5.177
  739   2H5*    U  69          2H5*        U  69   0.102  -3.776   5.633
  740    H4*    U  69           H4*        U  69   1.279  -4.086   7.574
  741    H3*    U  69           H3*        U  69   3.166  -2.489   5.824
  742    H2*    U  69           H2*        U  69   4.785  -2.641   7.497
  743   2HO*    U  69          2HO*        U  69   2.646  -3.200   9.291
  744    H1*    U  69           H1*        U  69   3.989  -5.149   8.539
  745    H3     U  69           H3         U  69   8.270  -6.061   7.437
  746    H5     U  69           H5         U  69   6.511  -5.066   3.748
  747    H6     U  69           H6         U  69   4.471  -4.521   4.937
  748   1H5*    G  70          1H5*        G  70   3.045  -1.053   9.617
  749   2H5*    G  70          2H5*        G  70   3.355   0.680   9.835
  750    H4*    G  70           H4*        G  70   5.002  -0.730  11.026
  751    H3*    G  70           H3*        G  70   6.062   0.948   8.733
  752    H2*    G  70           H2*        G  70   8.205   0.132   9.194
  753   2HO*    G  70          2HO*        G  70   8.901  -0.279  11.180
  754    H1*    G  70           H1*        G  70   7.377  -2.378  10.246
  755    H8     G  70           H8         G  70   6.313  -1.335   6.688
  756    H1     G  70           H1         G  70  11.813  -4.594   7.033
  757   1H2     G  70          1H2         G  70  12.399  -4.861   9.158
  758   2H2     G  70          2H2         G  70  11.434  -4.246  10.481
  759   1H5*    G  71          1H5*        G  71   7.915   2.734  12.647
  760   2H5*    G  71          2H5*        G  71   8.103   4.460  12.283
  761    H4*    G  71           H4*        G  71  10.207   3.476  13.090
  762    H3*    G  71           H3*        G  71  10.154   4.396  10.206
  763    H2*    G  71           H2*        G  71  12.403   3.739   9.974
  764   2HO*    G  71          2HO*        G  71  12.788   3.132  12.678
  765    H1*    G  71           H1*        G  71  12.270   1.441  11.503
  766    H8     G  71           H8         G  71   9.303   2.032   9.127
  767    H1     G  71           H1         G  71  14.274  -0.972   6.430
  768   1H2     G  71          1H2         G  71  15.970  -1.061   7.863
  769   2H2     G  71          2H2         G  71  15.889  -0.361   9.463
  770   1H5*    U  72          1H5*        U  72  13.739   6.295  12.006
  771   2H5*    U  72          2H5*        U  72  13.699   7.978  11.445
  772    H4*    U  72           H4*        U  72  15.883   6.939  11.012
  773    H3*    U  72           H3*        U  72  14.221   7.634   8.580
  774    H2*    U  72           H2*        U  72  15.908   6.795   7.195
  775   2HO*    U  72          2HO*        U  72  17.778   6.743   9.324
  776    H1*    U  72           H1*        U  72  16.858   4.791   8.932
  777    H3     U  72           H3         U  72  15.622   2.474   5.227
  778    H5     U  72           H5         U  72  11.973   3.760   6.909
  779    H6     U  72           H6         U  72  13.245   5.075   8.501
  780   1H5*    U  73          1H5*        U  73  18.268   9.494   8.265
  781   2H5*    U  73          2H5*        U  73  18.097  11.059   7.446
  782    H4*    U  73           H4*        U  73  19.808   9.585   6.402
  783    H3*    U  73           H3*        U  73  17.389  10.352   4.748
  784    H2*    U  73           H2*        U  73  18.305   9.156   2.924
  785   2HO*    U  73          2HO*        U  73  20.382   9.510   2.706
  786    H1*    U  73           H1*        U  73  19.231   7.002   4.364
  787    H3     U  73           H3         U  73  15.715   5.299   2.060
  788    H5     U  73           H5         U  73  13.933   7.594   5.115
  789    H6     U  73           H6         U  73  16.144   8.396   5.712
  790   1H5*    C  74          1H5*        C  74  20.457  11.262   2.190
  791   2H5*    C  74          2H5*        C  74  20.092  12.724   1.252
  792    H4*    C  74           H4*        C  74  20.353  10.693  -0.160
  793    H3*    C  74           H3*        C  74  17.606  11.989  -0.129
  794    H2*    C  74           H2*        C  74  16.974  10.435  -1.791
  795   2HO*    C  74          2HO*        C  74  18.533   9.235  -2.964
  796    H1*    C  74           H1*        C  74  18.501   8.302  -0.788
  797   1H4     C  74          1H4         C  74  12.502   6.971   0.853
  798   2H4     C  74          2H4         C  74  12.603   8.087   2.197
  799    H5     C  74           H5         C  74  14.510   9.515   2.592
  800    H6     C  74           H6         C  74  16.735  10.162   1.789
  801   1H5*    U  75          1H5*        U  75  19.049  12.319  -3.835
  802   2H5*    U  75          2H5*        U  75  18.512  13.560  -4.985
  803    H4*    U  75           H4*        U  75  17.689  11.292  -5.566
  804    H3*    U  75           H3*        U  75  15.630  13.384  -4.808
  805    H2*    U  75           H2*        U  75  13.942  11.806  -5.172
  806   2HO*    U  75          2HO*        U  75  15.602   9.983  -6.516
  807    H1*    U  75           H1*        U  75  15.494   9.511  -4.529
  808    H3     U  75           H3         U  75  11.803   9.129  -1.934
  809    H5     U  75           H5         U  75  14.109  12.113  -0.057
  810    H6     U  75           H6         U  75  15.582  12.097  -1.991
  811   1H5*    U  76          1H5*        U  76  14.980  12.200  -8.954
  812   2H5*    U  76          2H5*        U  76  14.546  13.557 -10.017
  813    H4*    U  76           H4*        U  76  12.926  11.733 -10.233
  814    H3*    U  76           H3*        U  76  11.982  14.327  -9.032
  815    H2*    U  76           H2*        U  76   9.920  13.448  -8.442
  816   2HO*    U  76          2HO*        U  76   9.215  12.755 -10.405
  817    H1*    U  76           H1*        U  76  10.637  10.734  -8.148
  818    H3     U  76           H3         U  76   8.841  11.668  -4.116
  819    H5     U  76           H5         U  76  12.445  13.853  -4.149
  820    H6     U  76           H6         U  76  12.734  13.210  -6.472
  821   1H5*    C  77          1H5*        C  77   8.220  13.782 -12.572
  822   2H5*    C  77          2H5*        C  77   7.713  15.353 -11.919
  823    H4*    C  77           H4*        C  77   6.506  12.800 -11.533
  824    H3*    C  77           H3*        C  77   5.953  15.601 -10.567
  825    H2*    C  77           H2*        C  77   4.675  14.838  -8.789
  826   2HO*    C  77          2HO*        C  77   4.178  12.608 -10.466
  827    H1*    C  77           H1*        C  77   5.848  12.274  -8.475
  828   1H4     C  77          1H4         C  77   7.359  15.581  -3.247
  829   2H4     C  77          2H4         C  77   8.648  16.384  -4.118
  830    H5     C  77           H5         C  77   9.030  16.087  -6.477
  831    H6     C  77           H6         C  77   8.256  14.960  -8.514
  832   1H5*    C  78          1H5*        C  78   1.403  17.137 -11.164
  833   2H5*    C  78          2H5*        C  78   2.636  17.201  -9.888
  834    H4*    C  78           H4*        C  78   0.158  15.448  -9.808
  835    H3*    C  78           H3*        C  78   0.593  18.250  -8.860
  836    H2*    C  78           H2*        C  78  -0.085  17.831  -6.682
  837   2HO*    C  78          2HO*        C  78  -1.864  16.769  -6.365
  838    H1*    C  78           H1*        C  78   0.587  15.136  -6.432
  839   1H4     C  78          1H4         C  78   4.899  18.517  -3.125
  840   2H4     C  78          2H4         C  78   5.967  18.412  -4.505
  841    H5     C  78           H5         C  78   5.294  17.506  -6.630
  842    H6     C  78           H6         C  78   3.451  16.503  -7.895
  843   1H5*    U  79          1H5*        U  79  -2.547  21.292  -9.290
  844   2H5*    U  79          2H5*        U  79  -1.154  21.817  -8.323
  845    H4*    U  79           H4*        U  79  -3.538  20.170  -7.493
  846    H3*    U  79           H3*        U  79  -2.328  22.776  -6.672
  847    H2*    U  79           H2*        U  79  -2.407  22.344  -4.394
  848   2HO*    U  79          2HO*        U  79  -4.222  21.638  -3.624
  849    H1*    U  79           H1*        U  79  -2.148  19.580  -4.363
  850    H3     U  79           H3         U  79   1.380  21.659  -2.187
  851    H5     U  79           H5         U  79   2.545  21.138  -6.204
  852    H6     U  79           H6         U  79   0.255  20.526  -6.720
  853   1H5*    A  80          1H5*        A  80  -5.868  25.727  -5.433
  854   2H5*    A  80          2H5*        A  80  -4.370  26.644  -5.690
  855    H4*    A  80           H4*        A  80  -5.494  25.467  -3.199
  856    H3*    A  80           H3*        A  80  -4.888  28.045  -3.944
  857    H2*    A  80           H2*        A  80  -2.557  27.944  -3.988
  858   2HO*    A  80          2HO*        A  80  -2.495  27.831  -1.205
  859    H1*    A  80           H1*        A  80  -2.273  25.969  -1.778
  860    H8     A  80           H8         A  80  -1.885  25.604  -5.626
  861   1H6     A  80          1H6         A  80   4.138  24.912  -4.438
  862   2H6     A  80          2H6         A  80   2.907  24.908  -5.682
  863    H2     A  80           H2         A  80   2.053  25.791  -0.554
  864   1H5*    A  81          1H5*        A  81  -7.760  27.841   0.222
  865   2H5*    A  81          2H5*        A  81  -7.764  29.573   0.611
  866    H4*    A  81           H4*        A  81  -8.006  28.275   2.650
  867    H3*    A  81           H3*        A  81  -5.506  29.859   2.252
  868    H2*    A  81           H2*        A  81  -4.340  28.862   3.998
  869   2HO*    A  81          2HO*        A  81  -6.692  29.032   5.191
  870    H1*    A  81           H1*        A  81  -5.432  26.321   3.983
  871    H8     A  81           H8         A  81  -4.730  26.744   0.418
  872   1H6     A  81          1H6         A  81   1.284  25.976   1.599
  873   2H6     A  81          2H6         A  81   0.060  26.031   0.350
  874    H2     A  81           H2         A  81  -0.814  26.664   5.512
  875   1H5*    G  82          1H5*        G  82  -4.859  32.549   6.624
  876   2H5*    G  82          2H5*        G  82  -3.927  32.616   5.114
  877    H4*    G  82           H4*        G  82  -3.475  30.965   7.577
  878    H3*    G  82           H3*        G  82  -1.879  32.829   5.881
  879    H2*    G  82           H2*        G  82   0.017  31.479   5.774
  880   2HO*    G  82          2HO*        G  82  -0.875  29.762   7.831
  881    H1*    G  82           H1*        G  82  -1.102  28.985   5.736
  882    H8     G  82           H8         G  82  -3.365  30.882   3.496
  883    H1     G  82           H1         G  82   2.293  29.743   0.724
  884   1H2     G  82          1H2         G  82   3.756  29.043   2.242
  885   2H2     G  82          2H2         G  82   3.341  28.857   3.931
  886   1H5*    U  83          1H5*        U  83   0.996  32.544   9.161
  887   2H5*    U  83          2H5*        U  83   1.361  34.231   9.576
  888    H4*    U  83           H4*        U  83   3.373  32.912   8.923
  889    H3*    U  83           H3*        U  83   2.563  35.360   7.375
  890    H2*    U  83           H2*        U  83   4.202  35.006   5.742
  891   2HO*    U  83          2HO*        U  83   6.086  34.032   6.133
  892    H1*    U  83           H1*        U  83   4.158  32.256   5.635
  893    H3     U  83           H3         U  83   2.520  33.654   1.619
  894    H5     U  83           H5         U  83  -0.717  34.030   4.295
  895    H6     U  83           H6         U  83   0.811  33.524   6.111
  896   1H5*    C  84          1H5*        C  84   6.674  35.774   8.148
  897   2H5*    C  84          2H5*        C  84   7.176  37.400   8.655
  898    H4*    C  84           H4*        C  84   8.409  36.678   6.663
  899    H3*    C  84           H3*        C  84   6.488  38.985   6.350
  900    H2*    C  84           H2*        C  84   6.928  39.109   4.053
  901   2HO*    C  84          2HO*        C  84   9.162  37.379   4.311
  902    H1*    C  84           H1*        C  84   7.263  36.401   3.547
  903   1H4     C  84          1H4         C  84   1.345  37.699   1.600
  904   2H4     C  84          2H4         C  84   0.790  37.792   3.256
  905    H5     C  84           H5         C  84   2.255  37.582   5.154
  906    H6     C  84           H6         C  84   4.574  37.264   5.877
  907   1H5*    C  85          1H5*        C  85   9.752  39.889   4.473
  908   2H5*    C  85          2H5*        C  85  10.742  41.243   5.055
  909    H4*    C  85           H4*        C  85  10.694  41.573   2.743
  910    H3*    C  85           H3*        C  85   8.566  43.256   4.059
  911    H2*    C  85           H2*        C  85   7.735  43.950   1.977
  912   2HO*    C  85          2HO*        C  85   9.427  42.943   0.183
  913    H1*    C  85           H1*        C  85   8.065  41.595   0.586
  914   1H4     C  85          1H4         C  85   1.971  41.413   2.403
  915   2H4     C  85          2H4         C  85   2.441  41.098   4.057
  916    H5     C  85           H5         C  85   4.727  41.053   4.794
  917    H6     C  85           H6         C  85   7.068  41.296   4.108
  918   1H5*    U  86          1H5*        U  86   9.828  45.083   0.855
  919   2H5*    U  86          2H5*        U  86  10.228  46.802   1.044
  920    H4*    U  86           H4*        U  86   8.551  46.378  -0.744
  921    H3*    U  86           H3*        U  86   7.850  48.081   1.625
  922    H2*    U  86           H2*        U  86   5.611  48.002   1.188
  923   2HO*    U  86          2HO*        U  86   6.529  48.871  -1.152
  924    H1*    U  86           H1*        U  86   5.758  45.935  -0.897
  925    H3     U  86           H3         U  86   1.720  44.918   0.804
  926    H5     U  86           H5         U  86   4.353  44.320   4.046
  927    H6     U  86           H6         U  86   6.130  45.249   2.680
  928    H3T    U  86           H3T        U  86   8.702  48.333  -0.988
  929   1HO1  MN6 101          1HO1      MN6 101   2.990 -42.642   1.105
  930   2HO1  MN6 101          2HO1      MN6 101   1.524 -42.378   1.595
  931   1HO2  MN6 101          1HO2      MN6 101   0.573 -45.838  -1.583
  932   2HO2  MN6 101          2HO2      MN6 101   1.188 -44.995  -2.753
  933   1HO3  MN6 101          1HO3      MN6 101   2.067 -45.794   0.545
  934   2HO3  MN6 101          2HO3      MN6 101   1.650 -44.746   1.634
  935   1HO4  MN6 101          1HO4      MN6 101   0.906 -41.362  -1.323
  936   2HO4  MN6 101          2HO4      MN6 101   1.742 -42.058  -2.451
  937   1HO5  MN6 101          1HO5      MN6 101  -0.508 -43.699   1.108
  938   2HO5  MN6 101          2HO5      MN6 101  -0.722 -42.440   0.199
  939   1HO6  MN6 101          1HO6      MN6 101   3.170 -44.736  -1.872
  940   2HO6  MN6 101          2HO6      MN6 101   3.650 -43.314  -1.417
  941   1HO1  MN6 102          1HO1      MN6 102   8.901 -30.864  -6.257
  942   2HO1  MN6 102          2HO1      MN6 102   8.486 -32.316  -5.835
  943   1HO2  MN6 102          1HO2      MN6 102   4.782 -30.503  -8.807
  944   2HO2  MN6 102          2HO2      MN6 102   4.496 -32.017  -8.521
  945   1HO3  MN6 102          1HO3      MN6 102   6.196 -32.289  -5.081
  946   2HO3  MN6 102          2HO3      MN6 102   6.251 -30.725  -5.003
  947   1HO4  MN6 102          1HO4      MN6 102   8.304 -31.645  -9.199
  948   2HO4  MN6 102          2HO4      MN6 102   7.104 -32.610  -9.488
  949   1HO5  MN6 102          1HO5      MN6 102   7.134 -33.930  -7.572
  950   2HO5  MN6 102          2HO5      MN6 102   5.584 -33.729  -7.697
  951   1HO6  MN6 102          1HO6      MN6 102   6.261 -29.056  -7.842
  952   2HO6  MN6 102          2HO6      MN6 102   7.776 -29.260  -7.497
  953   1HO1  MN6 103          1HO1      MN6 103 -10.096 -19.411  -3.933
  954   2HO1  MN6 103          2HO1      MN6 103 -10.891 -19.997  -2.716
  955   1HO2  MN6 103          1HO2      MN6 103  -7.521 -16.682  -0.861
  956   2HO2  MN6 103          2HO2      MN6 103  -7.947 -17.631   0.311
  957   1HO3  MN6 103          1HO3      MN6 103  -9.315 -16.995  -3.869
  958   2HO3  MN6 103          2HO3      MN6 103  -9.682 -16.099  -2.637
  959   1HO4  MN6 103          1HO4      MN6 103  -8.051 -20.543  -1.196
  960   2HO4  MN6 103          2HO4      MN6 103  -9.609 -20.707  -1.130
  961   1HO5  MN6 103          1HO5      MN6 103  -7.842 -18.608  -4.026
  962   2HO5  MN6 103          2HO5      MN6 103  -7.651 -19.958  -3.251
  963   1HO6  MN6 103          1HO6      MN6 103 -11.317 -18.076  -0.896
  964   2HO6  MN6 103          2HO6      MN6 103 -10.270 -17.701   0.210
  965   1HO1  MN6 104          1HO1      MN6 104 -12.956  -1.947  -0.769
  966   2HO1  MN6 104          2HO1      MN6 104 -12.335  -0.603  -1.285
  967   1HO2  MN6 104          1HO2      MN6 104  -8.299  -3.397  -0.014
  968   2HO2  MN6 104          2HO2      MN6 104  -7.957  -1.868   0.022
  969   1HO3  MN6 104          1HO3      MN6 104 -10.747  -1.371   1.887
  970   2HO3  MN6 104          2HO3      MN6 104 -10.186  -0.151   1.079
  971   1HO4  MN6 104          1HO4      MN6 104  -9.450  -3.801  -2.004
  972   2HO4  MN6 104          2HO4      MN6 104  -9.274  -2.391  -2.664
  973   1HO5  MN6 104          1HO5      MN6 104 -10.248   0.007  -1.965
  974   2HO5  MN6 104          2HO5      MN6 104  -8.783  -0.445  -1.631
  975   1HO6  MN6 104          1HO6      MN6 104 -11.764  -3.243   1.137
  976   2HO6  MN6 104          2HO6      MN6 104 -11.760  -4.083  -0.187
  977   1HO1  MN6 105          1HO1      MN6 105 -11.171  14.685   5.835
  978   2HO1  MN6 105          2HO1      MN6 105 -10.372  13.807   4.811
  979   1HO2  MN6 105          1HO2      MN6 105 -14.239  10.948   6.448
  980   2HO2  MN6 105          2HO2      MN6 105 -13.091   9.995   5.969
  981   1HO3  MN6 105          1HO3      MN6 105 -13.042  13.978   7.552
  982   2HO3  MN6 105          2HO3      MN6 105 -13.780  14.348   6.220
  983   1HO4  MN6 105          1HO4      MN6 105 -10.038  11.645   5.107
  984   2HO4  MN6 105          2HO4      MN6 105 -11.081  10.931   4.181
  985   1HO5  MN6 105          1HO5      MN6 105 -11.769  12.294   8.283
  986   2HO5  MN6 105          2HO5      MN6 105 -10.902  13.432   7.646
  987   1HO6  MN6 105          1HO6      MN6 105 -14.097  13.165   4.376
  988   2HO6  MN6 105          2HO6      MN6 105 -12.927  12.679   3.452
  989   1HO1  MN6 106          1HO1      MN6 106  -1.276  42.074   5.332
  990   2HO1  MN6 106          2HO1      MN6 106  -2.353  40.951   5.144
  991   1HO2  MN6 106          1HO2      MN6 106  -1.871  41.269   0.454
  992   2HO2  MN6 106          2HO2      MN6 106  -2.646  42.630   0.509
  993   1HO3  MN6 106          1HO3      MN6 106  -4.150  43.262   2.990
  994   2HO3  MN6 106          2HO3      MN6 106  -4.382  41.786   3.462
  995   1HO4  MN6 106          1HO4      MN6 106  -0.114  40.409   2.824
  996   2HO4  MN6 106          2HO4      MN6 106   0.306  41.628   3.715
  997   1HO5  MN6 106          1HO5      MN6 106  -2.270  39.563   3.489
  998   2HO5  MN6 106          2HO5      MN6 106  -2.262  39.647   1.924
  999   1HO6  MN6 106          1HO6      MN6 106  -2.235  44.276   3.705
 1000   2HO6  MN6 106          2HO6      MN6 106  -1.857  44.364   2.187
 1001   1HO1  MN6 107          1HO1      MN6 107  -3.508  30.165 -10.207
 1002   2HO1  MN6 107          2HO1      MN6 107  -2.442  29.254  -9.506
 1003   1HO2  MN6 107          1HO2      MN6 107  -0.658  33.609  -7.869
 1004   2HO2  MN6 107          2HO2      MN6 107  -2.178  33.884  -7.599
 1005   1HO3  MN6 107          1HO3      MN6 107  -3.304  30.485  -7.009
 1006   2HO3  MN6 107          2HO3      MN6 107  -1.904  30.859  -6.407
 1007   1HO4  MN6 107          1HO4      MN6 107  -1.838  32.389 -11.138
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.319  33.559 -10.234
 1009   1HO5  MN6 107          1HO5      MN6 107  -4.445  32.150  -9.387
 1010   2HO5  MN6 107          2HO5      MN6 107  -4.115  32.939  -8.073
 1011   1HO6  MN6 107          1HO6      MN6 107  -0.127  30.166  -8.486
 1012   2HO6  MN6 107          2HO6      MN6 107   0.157  31.060  -9.741
 1013   1HO1  MN6 108          1HO1      MN6 108   8.028  13.428   1.487
 1014   2HO1  MN6 108          2HO1      MN6 108   6.643  14.065   1.118
 1015   1HO2  MN6 108          1HO2      MN6 108   9.512  18.164   1.534
 1016   2HO2  MN6 108          2HO2      MN6 108   8.321  18.333   2.539
 1017   1HO3  MN6 108          1HO3      MN6 108   9.296  15.257  -0.541
 1018   2HO3  MN6 108          2HO3      MN6 108  10.397  16.014   0.278
 1019   1HO4  MN6 108          1HO4      MN6 108   6.525  16.111   3.362
 1020   2HO4  MN6 108          2HO4      MN6 108   7.922  16.174   4.070
 1021   1HO5  MN6 108          1HO5      MN6 108  10.274  14.368   1.753
 1022   2HO5  MN6 108          2HO5      MN6 108   9.692  14.495   3.203
 1023   1HO6  MN6 108          1HO6      MN6 108   6.306  17.342   1.264
 1024   2HO6  MN6 108          2HO6      MN6 108   7.268  17.479   0.035
 1025   1HO1  MN6 109          1HO1      MN6 109  10.757   1.622   4.162
 1026   2HO1  MN6 109          2HO1      MN6 109  10.879   0.150   3.634
 1027   1HO2  MN6 109          1HO2      MN6 109   6.523   2.147   1.933
 1028   2HO2  MN6 109          2HO2      MN6 109   6.807   0.871   1.068
 1029   1HO3  MN6 109          1HO3      MN6 109   9.827   0.827   0.482
 1030   2HO3  MN6 109          2HO3      MN6 109   9.896  -0.535   1.254
 1031   1HO4  MN6 109          1HO4      MN6 109   7.425   2.873   3.898
 1032   2HO4  MN6 109          2HO4      MN6 109   8.922   2.927   4.362
 1033   1HO5  MN6 109          1HO5      MN6 109   9.100   3.602   2.112
 1034   2HO5  MN6 109          2HO5      MN6 109   8.730   2.846   0.790
 1035   1HO6  MN6 109          1HO6      MN6 109   9.076  -1.159   3.379
 1036   2HO6  MN6 109          2HO6      MN6 109   8.179  -0.465   4.462
 1037   1HO1  MN6 110          1HO1      MN6 110   9.306 -10.572   7.653
 1038   2HO1  MN6 110          2HO1      MN6 110   9.553 -11.766   6.669
 1039   1HO2  MN6 110          1HO2      MN6 110  11.116 -14.308  10.577
 1040   2HO2  MN6 110          2HO2      MN6 110  12.346 -13.443  10.136
 1041   1HO3  MN6 110          1HO3      MN6 110  11.674 -10.811  10.279
 1042   2HO3  MN6 110          2HO3      MN6 110  11.533 -10.324   8.795
 1043   1HO4  MN6 110          1HO4      MN6 110  10.599 -14.850   8.325
 1044   2HO4  MN6 110          2HO4      MN6 110   9.628 -14.147   7.317
 1045   1HO5  MN6 110          1HO5      MN6 110  11.650 -12.659   6.828
 1046   2HO5  MN6 110          2HO5      MN6 110  12.605 -13.067   8.003
 1047   1HO6  MN6 110          1HO6      MN6 110   8.689 -13.098  10.729
 1048   2HO6  MN6 110          2HO6      MN6 110   8.057 -12.026   9.777
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   3.070 -47.432  -5.211
    2   2H5*    G   1          2H5*        G   1   3.812 -45.830  -5.396
    3    H4*    G   1           H4*        G   1   3.116 -46.744  -7.565
    4    H3*    G   1           H3*        G   1   1.807 -44.255  -6.526
    5    H2*    G   1           H2*        G   1   0.166 -44.224  -8.189
    6   2HO*    G   1          2HO*        G   1   0.684 -46.040  -9.957
    7    H1*    G   1           H1*        G   1  -0.288 -46.911  -8.475
    8    H8     G   1           H8         G   1   0.002 -46.571  -4.800
    9    H1     G   1           H1         G   1  -5.465 -44.044  -6.981
   10   1H2     G   1          1H2         G   1  -5.382 -43.854  -9.191
   11   2H2     G   1          2H2         G   1  -3.987 -44.343 -10.125
   12    H5T    G   1           H5T        G   1   1.645 -45.000  -4.894
   13   1H5*    G   2          1H5*        G   2   1.409 -43.864 -10.347
   14   2H5*    G   2          2H5*        G   2   2.278 -42.456 -10.986
   15    H4*    G   2           H4*        G   2  -0.025 -42.437 -11.775
   16    H3*    G   2           H3*        G   2   0.715 -40.297  -9.778
   17    H2*    G   2           H2*        G   2  -1.479 -39.518  -9.719
   18   2HO*    G   2          2HO*        G   2  -2.908 -40.425 -11.587
   19    H1*    G   2           H1*        G   2  -2.794 -41.950 -10.304
   20    H8     G   2           H8         G   2  -0.405 -42.212  -7.367
   21    H1     G   2           H1         G   2  -6.157 -39.874  -5.798
   22   1H2     G   2          1H2         G   2  -7.326 -39.441  -7.632
   23   2H2     G   2          2H2         G   2  -6.692 -39.724  -9.238
   24   1H5*    G   3          1H5*        G   3  -1.200 -38.722 -12.633
   25   2H5*    G   3          2H5*        G   3  -0.607 -37.401 -13.661
   26    H4*    G   3           H4*        G   3  -2.758 -36.724 -12.944
   27    H3*    G   3           H3*        G   3  -0.563 -35.388 -11.364
   28    H2*    G   3           H2*        G   3  -2.096 -34.414  -9.914
   29   2HO*    G   3          2HO*        G   3  -4.475 -34.710 -11.086
   30    H1*    G   3           H1*        G   3  -4.171 -36.334 -10.141
   31    H8     G   3           H8         G   3  -0.657 -37.494  -9.079
   32    H1     G   3           H1         G   3  -4.522 -35.851  -4.245
   33   1H2     G   3          1H2         G   3  -6.397 -34.974  -5.048
   34   2H2     G   3          2H2         G   3  -6.693 -34.793  -6.761
   35   1H5*    A   4          1H5*        A   4  -3.686 -33.032 -12.416
   36   2H5*    A   4          2H5*        A   4  -3.342 -31.544 -13.319
   37    H4*    A   4           H4*        A   4  -5.007 -31.035 -11.666
   38    H3*    A   4           H3*        A   4  -2.258 -29.964 -11.046
   39    H2*    A   4           H2*        A   4  -2.939 -29.202  -8.956
   40   2HO*    A   4          2HO*        A   4  -5.089 -28.671  -8.494
   41    H1*    A   4           H1*        A   4  -4.980 -31.084  -8.455
   42    H8     A   4           H8         A   4  -1.390 -32.205  -9.378
   43   1H6     A   4          1H6         A   4  -0.530 -32.796  -3.292
   44   2H6     A   4          2H6         A   4   0.170 -33.044  -4.876
   45    H2     A   4           H2         A   4  -4.600 -30.997  -3.940
   46   1H5*    U   5          1H5*        U   5  -5.172 -27.212 -10.109
   47   2H5*    U   5          2H5*        U   5  -4.759 -25.522 -10.459
   48    H4*    U   5           H4*        U   5  -5.354 -25.913  -8.075
   49    H3*    U   5           H3*        U   5  -2.609 -24.905  -8.800
   50    H2*    U   5           H2*        U   5  -1.850 -25.098  -6.617
   51   2HO*    U   5          2HO*        U   5  -3.795 -25.338  -4.967
   52    H1*    U   5           H1*        U   5  -3.618 -27.129  -5.717
   53    H3     U   5           H3         U   5   0.272 -29.109  -4.663
   54    H5     U   5           H5         U   5   0.491 -28.709  -8.853
   55    H6     U   5           H6         U   5  -1.595 -27.474  -8.778
   56   1H5*    A   6          1H5*        A   6  -6.603 -21.585  -5.856
   57   2H5*    A   6          2H5*        A   6  -5.141 -20.707  -5.363
   58    H4*    A   6           H4*        A   6  -6.781 -22.692  -3.782
   59    H3*    A   6           H3*        A   6  -6.781 -19.909  -3.746
   60    H2*    A   6           H2*        A   6  -4.702 -19.513  -2.778
   61   2HO*    A   6          2HO*        A   6  -5.545 -18.816  -0.974
   62    H1*    A   6           H1*        A   6  -4.666 -22.019  -1.154
   63    H8     A   6           H8         A   6  -2.700 -20.876  -4.312
   64   1H6     A   6          1H6         A   6   2.228 -20.899  -0.590
   65   2H6     A   6          2H6         A   6   1.667 -20.650  -2.227
   66    H2     A   6           H2         A   6  -1.379 -21.910   1.888
   67   1H5*    U   7          1H5*        U   7  -9.415 -19.718   1.260
   68   2H5*    U   7          2H5*        U   7  -8.360 -18.307   1.043
   69    H4*    U   7           H4*        U   7  -8.285 -19.322   3.342
   70    H3*    U   7           H3*        U   7  -6.143 -18.281   1.951
   71    H2*    U   7           H2*        U   7  -5.234 -20.311   1.169
   72   2HO*    U   7          2HO*        U   7  -3.680 -21.069   2.799
   73    H1*    U   7           H1*        U   7  -5.905 -21.743   3.725
   74    H3     U   7           H3         U   7  -7.597 -25.338   0.874
   75    H5     U   7           H5         U   7  -3.686 -24.117  -0.120
   76    H6     U   7           H6         U   7  -4.013 -22.158   1.276
   77   1H5*    G   8          1H5*        G   8  -2.650 -19.945   4.072
   78   2H5*    G   8          2H5*        G   8  -2.773 -18.756   5.386
   79    H4*    G   8           H4*        G   8  -0.556 -18.501   4.870
   80    H3*    G   8           H3*        G   8  -2.109 -16.603   3.152
   81    H2*    G   8           H2*        G   8  -0.333 -16.160   1.717
   82   2HO*    G   8          2HO*        G   8   1.790 -16.305   2.322
   83    H1*    G   8           H1*        G   8   0.956 -18.599   1.729
   84    H8     G   8           H8         G   8  -2.672 -19.384   1.379
   85    H1     G   8           H1         G   8  -0.154 -17.144  -4.060
   86   1H2     G   8          1H2         G   8   1.865 -16.318  -3.681
   87   2H2     G   8          2H2         G   8   2.595 -16.313  -2.092
   88   1H5*    G   9          1H5*        G   9  -2.266 -12.932   2.524
   89   2H5*    G   9          2H5*        G   9  -1.858 -14.632   2.212
   90    H4*    G   9           H4*        G   9   0.460 -12.881   1.922
   91    H3*    G   9           H3*        G   9  -2.034 -12.145   0.411
   92    H2*    G   9           H2*        G   9  -0.920 -12.123  -1.646
   93   2HO*    G   9          2HO*        G   9   1.635 -12.403  -1.209
   94    H1*    G   9           H1*        G   9   0.849 -14.197  -1.230
   95    H8     G   9           H8         G   9  -2.083 -15.857   0.071
   96    H1     G   9           H1         G   9  -2.842 -14.684  -6.178
   97   1H2     G   9          1H2         G   9  -1.320 -13.210  -6.858
   98   2H2     G   9          2H2         G   9  -0.133 -12.518  -5.777
   99   1H5*    A  10          1H5*        A  10   0.271  -8.451  -0.296
  100   2H5*    A  10          2H5*        A  10  -0.804  -7.075   0.023
  101    H4*    A  10           H4*        A  10   0.081  -7.193  -2.329
  102    H3*    A  10           H3*        A  10  -2.877  -7.181  -1.760
  103    H2*    A  10           H2*        A  10  -3.404  -7.533  -4.002
  104   2HO*    A  10          2HO*        A  10  -2.311  -5.902  -4.977
  105    H1*    A  10           H1*        A  10  -1.159  -9.023  -4.759
  106    H8     A  10           H8         A  10  -2.538 -10.637  -1.687
  107   1H6     A  10          1H6         A  10  -6.769 -13.343  -5.291
  108   2H6     A  10          2H6         A  10  -6.049 -13.309  -3.696
  109    H2     A  10           H2         A  10  -4.689 -10.191  -7.724
  110   1H5*    A  11          1H5*        A  11  -1.808  -4.051  -4.850
  111   2H5*    A  11          2H5*        A  11  -2.833  -2.628  -4.578
  112    H4*    A  11           H4*        A  11  -2.825  -3.484  -6.944
  113    H3*    A  11           H3*        A  11  -5.394  -3.269  -5.374
  114    H2*    A  11           H2*        A  11  -6.614  -4.196  -7.157
  115   2HO*    A  11          2HO*        A  11  -4.965  -2.823  -8.634
  116    H1*    A  11           H1*        A  11  -4.753  -6.045  -8.010
  117    H8     A  11           H8         A  11  -4.936  -5.985  -4.210
  118   1H6     A  11          1H6         A  11  -9.608 -10.001  -4.756
  119   2H6     A  11          2H6         A  11  -8.514  -9.213  -3.640
  120    H2     A  11           H2         A  11  -8.607  -8.471  -8.859
  121   1H5*    G  12          1H5*        G  12  -6.470  -0.775  -8.834
  122   2H5*    G  12          2H5*        G  12  -7.273   0.665  -8.175
  123    H4*    G  12           H4*        G  12  -8.722  -0.581  -9.744
  124    H3*    G  12           H3*        G  12  -9.569  -0.411  -6.847
  125    H2*    G  12           H2*        G  12 -11.466  -1.721  -7.299
  126   2HO*    G  12          2HO*        G  12 -11.064  -0.826  -9.949
  127    H1*    G  12           H1*        G  12 -10.339  -3.396  -9.202
  128    H8     G  12           H8         G  12  -8.088  -2.942  -6.163
  129    H1     G  12           H1         G  12 -12.708  -7.291  -5.351
  130   1H2     G  12          1H2         G  12 -14.142  -7.196  -7.047
  131   2H2     G  12          2H2         G  12 -13.958  -6.064  -8.366
  132   1H5*    A  13          1H5*        A  13 -12.564   0.421  -9.319
  133   2H5*    A  13          2H5*        A  13 -13.507   1.911  -9.119
  134    H4*    A  13           H4*        A  13 -15.055   0.099  -9.387
  135    H3*    A  13           H3*        A  13 -14.856   1.128  -6.555
  136    H2*    A  13           H2*        A  13 -16.342  -0.518  -5.803
  137   2HO*    A  13          2HO*        A  13 -17.192  -0.537  -8.492
  138    H1*    A  13           H1*        A  13 -15.578  -2.578  -7.501
  139    H8     A  13           H8         A  13 -12.702  -0.641  -5.851
  140   1H6     A  13          1H6         A  13 -13.066  -4.802  -1.306
  141   2H6     A  13          2H6         A  13 -12.159  -3.457  -1.956
  142    H2     A  13           H2         A  13 -16.523  -5.501  -4.098
  143   1H5*    A  14          1H5*        A  14 -18.525   0.288  -7.088
  144   2H5*    A  14          2H5*        A  14 -19.609   1.678  -7.293
  145    H4*    A  14           H4*        A  14 -20.912   0.400  -5.911
  146    H3*    A  14           H3*        A  14 -19.127   1.981  -4.049
  147    H2*    A  14           H2*        A  14 -20.020   0.820  -2.204
  148   2HO*    A  14          2HO*        A  14 -21.930  -0.508  -2.465
  149    H1*    A  14           H1*        A  14 -20.234  -1.667  -3.387
  150    H8     A  14           H8         A  14 -17.061   0.472  -4.003
  151   1H6     A  14          1H6         A  14 -14.552  -2.773   0.610
  152   2H6     A  14          2H6         A  14 -14.263  -1.576  -0.632
  153    H2     A  14           H2         A  14 -18.877  -3.965   0.273
  154   1H5*    C  15          1H5*        C  15 -22.309   1.817  -2.184
  155   2H5*    C  15          2H5*        C  15 -23.162   3.330  -1.819
  156    H4*    C  15           H4*        C  15 -23.059   2.350   0.275
  157    H3*    C  15           H3*        C  15 -20.563   4.047   0.004
  158    H2*    C  15           H2*        C  15 -19.824   3.277   2.081
  159   2HO*    C  15          2HO*        C  15 -22.369   2.250   2.764
  160    H1*    C  15           H1*        C  15 -21.050   0.729   1.993
  161   1H4     C  15          1H4         C  15 -14.862  -0.550   1.355
  162   2H4     C  15          2H4         C  15 -14.791   0.326  -0.157
  163    H5     C  15           H5         C  15 -16.677   1.483  -1.103
  164    H6     C  15           H6         C  15 -19.023   2.106  -0.777
  165   1H5*    C  16          1H5*        C  16 -22.137   4.247   3.705
  166   2H5*    C  16          2H5*        C  16 -22.220   5.867   4.428
  167    H4*    C  16           H4*        C  16 -21.072   4.356   5.944
  168    H3*    C  16           H3*        C  16 -19.318   6.428   4.610
  169    H2*    C  16           H2*        C  16 -17.433   5.531   5.629
  170   2HO*    C  16          2HO*        C  16 -17.697   4.154   7.554
  171    H1*    C  16           H1*        C  16 -18.374   2.864   5.906
  172   1H4     C  16          1H4         C  16 -13.651   2.433   1.690
  173   2H4     C  16          2H4         C  16 -14.491   3.477   0.564
  174    H5     C  16           H5         C  16 -16.623   4.498   1.047
  175    H6     C  16           H6         C  16 -18.385   4.771   2.731
  176   1H5*    G  17          1H5*        G  17 -19.339   6.208   9.339
  177   2H5*    G  17          2H5*        G  17 -19.107   7.891   9.851
  178    H4*    G  17           H4*        G  17 -17.758   6.343  11.204
  179    H3*    G  17           H3*        G  17 -16.241   8.243   9.402
  180    H2*    G  17           H2*        G  17 -14.216   7.350  10.187
  181   2HO*    G  17          2HO*        G  17 -15.781   6.617  12.404
  182    H1*    G  17           H1*        G  17 -15.055   4.708  10.442
  183    H8     G  17           H8         G  17 -16.145   6.335   7.176
  184    H1     G  17           H1         G  17 -10.172   4.049   7.021
  185   1H2     G  17          1H2         G  17  -9.550   3.400   9.055
  186   2H2     G  17          2H2         G  17 -10.599   3.541  10.448
  187   1H5*    G  18          1H5*        G  18 -13.991   7.724  12.644
  188   2H5*    G  18          2H5*        G  18 -14.000   9.238  13.567
  189    H4*    G  18           H4*        G  18 -11.746   8.523  13.566
  190    H3*    G  18           H3*        G  18 -12.196  10.664  11.478
  191    H2*    G  18           H2*        G  18  -9.997  10.445  10.739
  192   2HO*    G  18          2HO*        G  18  -9.145   9.049  13.035
  193    H1*    G  18           H1*        G  18  -9.605   7.730  11.494
  194    H8     G  18           H8         G  18 -12.544   8.299   9.155
  195    H1     G  18           H1         G  18  -6.930   7.771   6.126
  196   1H2     G  18          1H2         G  18  -5.268   7.790   7.597
  197   2H2     G  18          2H2         G  18  -5.539   7.936   9.318
  198   1H5*    G  19          1H5*        G  19  -8.375  11.107  13.028
  199   2H5*    G  19          2H5*        G  19  -8.354  12.651  13.903
  200    H4*    G  19           H4*        G  19  -6.346  12.584  12.635
  201    H3*    G  19           H3*        G  19  -8.446  14.354  11.392
  202    H2*    G  19           H2*        G  19  -7.170  14.668   9.482
  203   2HO*    G  19          2HO*        G  19  -5.027  14.926   9.534
  204    H1*    G  19           H1*        G  19  -5.615  12.289   9.602
  205    H8     G  19           H8         G  19  -9.482  12.377   9.412
  206    H1     G  19           H1         G  19  -6.508  11.610   3.794
  207   1H2     G  19          1H2         G  19  -4.308  11.724   4.072
  208   2H2     G  19          2H2         G  19  -3.575  11.989   5.640
  209   1H5*    G  20          1H5*        G  20  -7.412  18.774  10.793
  210   2H5*    G  20          2H5*        G  20  -8.544  18.072   9.619
  211    H4*    G  20           H4*        G  20  -5.557  18.350   9.469
  212    H3*    G  20           H3*        G  20  -7.901  19.073   7.754
  213    H2*    G  20           H2*        G  20  -6.886  18.388   5.753
  214   2HO*    G  20          2HO*        G  20  -4.581  17.905   5.718
  215    H1*    G  20           H1*        G  20  -5.642  16.132   6.596
  216    H8     G  20           H8         G  20  -8.749  16.038   8.627
  217    H1     G  20           H1         G  20  -9.956  14.841   2.458
  218   1H2     G  20          1H2         G  20  -8.183  15.308   1.232
  219   2H2     G  20          2H2         G  20  -6.700  15.926   1.921
  220   1H5*    A  21          1H5*        A  21  -8.928  23.145   6.996
  221   2H5*    A  21          2H5*        A  21  -9.348  21.615   6.201
  222    H4*    A  21           H4*        A  21  -9.415  23.851   4.845
  223    H3*    A  21           H3*        A  21  -8.510  21.154   3.978
  224    H2*    A  21           H2*        A  21  -7.295  21.873   2.127
  225   2HO*    A  21          2HO*        A  21  -8.061  23.366   0.850
  226    H1*    A  21           H1*        A  21  -6.406  24.334   2.964
  227    H8     A  21           H8         A  21  -6.014  21.882   5.816
  228   1H6     A  21          1H6         A  21  -0.538  20.417   3.376
  229   2H6     A  21          2H6         A  21  -1.585  20.252   4.769
  230    H2     A  21           H2         A  21  -2.737  22.960   0.393
  231   1H5*    A  22          1H5*        A  22 -10.457  18.972   0.550
  232   2H5*    A  22          2H5*        A  22  -9.222  18.105   1.487
  233    H4*    A  22           H4*        A  22  -8.921  20.089  -0.718
  234    H3*    A  22           H3*        A  22  -7.618  17.517   0.121
  235    H2*    A  22           H2*        A  22  -5.493  18.201  -0.532
  236   2HO*    A  22          2HO*        A  22  -5.602  18.863  -2.552
  237    H1*    A  22           H1*        A  22  -5.691  20.932  -0.063
  238    H8     A  22           H8         A  22  -6.834  20.009   3.170
  239   1H6     A  22          1H6         A  22  -1.263  17.790   4.619
  240   2H6     A  22          2H6         A  22  -2.806  18.327   5.244
  241    H2     A  22           H2         A  22  -1.460  18.213   0.146
  242   1H5*    A  23          1H5*        A  23  -6.850  15.560  -4.731
  243   2H5*    A  23          2H5*        A  23  -6.898  14.318  -3.464
  244    H4*    A  23           H4*        A  23  -4.673  15.134  -4.984
  245    H3*    A  23           H3*        A  23  -5.133  13.261  -2.696
  246    H2*    A  23           H2*        A  23  -2.909  13.326  -1.950
  247   2HO*    A  23          2HO*        A  23  -2.332  13.377  -4.468
  248    H1*    A  23           H1*        A  23  -2.360  15.947  -2.298
  249    H8     A  23           H8         A  23  -6.021  15.395  -1.309
  250   1H6     A  23          1H6         A  23  -4.089  15.810   4.543
  251   2H6     A  23          2H6         A  23  -5.491  15.721   3.495
  252    H2     A  23           H2         A  23  -0.455  15.752   1.878
  253   1H5*    C  24          1H5*        C  24  -2.517  11.219  -4.353
  254   2H5*    C  24          2H5*        C  24  -2.621   9.448  -4.395
  255    H4*    C  24           H4*        C  24  -1.135  10.370  -2.587
  256    H3*    C  24           H3*        C  24  -3.493   8.611  -1.906
  257    H2*    C  24           H2*        C  24  -3.048   8.837   0.383
  258   2HO*    C  24          2HO*        C  24  -0.433   9.436  -0.498
  259    H1*    C  24           H1*        C  24  -2.101  11.460   0.353
  260   1H4     C  24          1H4         C  24  -8.083  11.732   2.564
  261   2H4     C  24          2H4         C  24  -8.699  11.671   0.927
  262    H5     C  24           H5         C  24  -7.286  11.384  -1.006
  263    H6     C  24           H6         C  24  -4.987  11.054  -1.782
  264   1H5*    U  25          1H5*        U  25  -0.836   7.525   0.310
  265   2H5*    U  25          2H5*        U  25  -0.239   5.855   0.362
  266    H4*    U  25           H4*        U  25  -0.804   6.448   2.600
  267    H3*    U  25           H3*        U  25  -2.891   4.684   1.310
  268    H2*    U  25           H2*        U  25  -4.236   4.834   3.211
  269   2HO*    U  25          2HO*        U  25  -1.855   5.503   4.625
  270    H1*    U  25           H1*        U  25  -3.372   7.386   4.098
  271    H3     U  25           H3         U  25  -7.862   7.881   3.802
  272    H5     U  25           H5         U  25  -6.594   7.605  -0.208
  273    H6     U  25           H6         U  25  -4.365   7.095   0.600
  274   1H5*    U  26          1H5*        U  26  -2.282   3.766   4.927
  275   2H5*    U  26          2H5*        U  26  -1.454   2.245   5.322
  276    H4*    U  26           H4*        U  26  -3.046   2.215   6.964
  277    H3*    U  26           H3*        U  26  -4.421   1.006   4.557
  278    H2*    U  26           H2*        U  26  -6.429   0.913   5.749
  279   2HO*    U  26          2HO*        U  26  -4.794   1.071   8.068
  280    H1*    U  26           H1*        U  26  -6.073   3.221   7.295
  281    H3     U  26           H3         U  26  -9.687   4.531   4.954
  282    H5     U  26           H5         U  26  -6.823   3.792   1.960
  283    H6     U  26           H6         U  26  -5.306   3.023   3.687
  284   1H5*    G  27          1H5*        G  27  -5.234  -0.915   8.049
  285   2H5*    G  27          2H5*        G  27  -5.671  -2.633   7.977
  286    H4*    G  27           H4*        G  27  -7.453  -1.120   8.911
  287    H3*    G  27           H3*        G  27  -8.071  -2.740   6.421
  288    H2*    G  27           H2*        G  27 -10.240  -1.864   6.472
  289   2HO*    G  27          2HO*        G  27  -9.737  -1.669   9.230
  290    H1*    G  27           H1*        G  27  -9.548   0.608   7.700
  291    H8     G  27           H8         G  27  -7.735  -0.222   4.433
  292    H1     G  27           H1         G  27 -13.431   2.603   3.678
  293   1H2     G  27          1H2         G  27 -14.476   2.716   5.632
  294   2H2     G  27          2H2         G  27 -13.775   2.096   7.110
  295   1H5*    G  28          1H5*        G  28 -10.666  -4.504   9.991
  296   2H5*    G  28          2H5*        G  28 -10.749  -6.232   9.593
  297    H4*    G  28           H4*        G  28 -12.971  -5.374  10.113
  298    H3*    G  28           H3*        G  28 -12.499  -6.131   7.221
  299    H2*    G  28           H2*        G  28 -14.716  -5.504   6.702
  300   2HO*    G  28          2HO*        G  28 -16.097  -6.197   8.154
  301    H1*    G  28           H1*        G  28 -14.829  -3.244   8.249
  302    H8     G  28           H8         G  28 -11.422  -3.693   6.575
  303    H1     G  28           H1         G  28 -15.814  -0.968   2.800
  304   1H2     G  28          1H2         G  28 -17.797  -1.004   3.804
  305   2H2     G  28          2H2         G  28 -18.043  -1.725   5.377
  306   1H5*    U  29          1H5*        U  29 -16.148  -8.547   8.154
  307   2H5*    U  29          2H5*        U  29 -15.700 -10.179   7.618
  308    H4*    U  29           H4*        U  29 -17.815  -9.576   6.614
  309    H3*    U  29           H3*        U  29 -15.479  -9.608   4.693
  310    H2*    U  29           H2*        U  29 -16.893  -8.945   2.944
  311   2HO*    U  29          2HO*        U  29 -19.240  -9.042   3.251
  312    H1*    U  29           H1*        U  29 -18.582  -7.289   4.415
  313    H3     U  29           H3         U  29 -16.578  -4.463   1.489
  314    H5     U  29           H5         U  29 -13.528  -5.439   4.233
  315    H6     U  29           H6         U  29 -15.034  -7.061   5.228
  316   1H5*    U  30          1H5*        U  30 -18.840 -11.495   2.837
  317   2H5*    U  30          2H5*        U  30 -18.316 -13.069   2.208
  318    H4*    U  30           H4*        U  30 -19.542 -11.861   0.490
  319    H3*    U  30           H3*        U  30 -16.566 -12.121  -0.004
  320    H2*    U  30           H2*        U  30 -16.800 -10.927  -2.007
  321   2HO*    U  30          2HO*        U  30 -18.714 -10.788  -3.133
  322    H1*    U  30           H1*        U  30 -18.857  -9.215  -1.190
  323    H3     U  30           H3         U  30 -15.552  -6.284  -2.066
  324    H5     U  30           H5         U  30 -14.154  -8.375   1.320
  325    H6     U  30           H6         U  30 -16.079  -9.839   1.126
  326   1H5*    C  31          1H5*        C  31 -18.895 -13.094  -3.495
  327   2H5*    C  31          2H5*        C  31 -18.084 -14.313  -4.498
  328    H4*    C  31           H4*        C  31 -18.619 -12.153  -5.678
  329    H3*    C  31           H3*        C  31 -15.757 -13.122  -5.499
  330    H2*    C  31           H2*        C  31 -15.046 -11.229  -6.686
  331   2HO*    C  31          2HO*        C  31 -17.604 -11.384  -7.750
  332    H1*    C  31           H1*        C  31 -16.922  -9.422  -5.672
  333   1H4     C  31          1H4         C  31 -11.554  -7.982  -2.604
  334   2H4     C  31          2H4         C  31 -11.640  -9.464  -1.676
  335    H5     C  31           H5         C  31 -13.340 -11.140  -2.019
  336    H6     C  31           H6         C  31 -15.307 -11.765  -3.343
  337   1H5*    U  32          1H5*        U  32 -16.474 -12.587  -9.907
  338   2H5*    U  32          2H5*        U  32 -15.877 -14.095 -10.630
  339    H4*    U  32           H4*        U  32 -14.906 -12.176 -11.776
  340    H3*    U  32           H3*        U  32 -13.057 -13.890 -10.132
  341    H2*    U  32           H2*        U  32 -11.243 -12.448 -10.482
  342   2HO*    U  32          2HO*        U  32 -12.374 -10.727 -12.309
  343    H1*    U  32           H1*        U  32 -12.571 -10.041 -10.401
  344    H3     U  32           H3         U  32 -10.253  -9.845  -6.547
  345    H5     U  32           H5         U  32 -13.089 -12.870  -5.829
  346    H6     U  32           H6         U  32 -13.787 -12.672  -8.145
  347   1H5*    U  33          1H5*        U  33 -11.335 -12.561 -13.972
  348   2H5*    U  33          2H5*        U  33 -10.454 -13.913 -14.710
  349    H4*    U  33           H4*        U  33  -9.164 -11.758 -14.603
  350    H3*    U  33           H3*        U  33  -8.132 -14.288 -13.347
  351    H2*    U  33           H2*        U  33  -6.346 -13.196 -12.333
  352   2HO*    U  33          2HO*        U  33  -6.131 -12.045 -14.626
  353    H1*    U  33           H1*        U  33  -7.487 -10.652 -11.998
  354    H3     U  33           H3         U  33  -6.557 -11.737  -7.707
  355    H5     U  33           H5         U  33  -9.606 -14.430  -8.786
  356    H6     U  33           H6         U  33  -9.462 -13.591 -11.057
  357   1H5*    C  34          1H5*        C  34  -3.345 -14.924 -15.110
  358   2H5*    C  34          2H5*        C  34  -4.283 -15.267 -13.642
  359    H4*    C  34           H4*        C  34  -2.558 -12.807 -14.092
  360    H3*    C  34           H3*        C  34  -1.979 -15.435 -12.757
  361    H2*    C  34           H2*        C  34  -1.126 -14.434 -10.837
  362   2HO*    C  34          2HO*        C  34  -0.513 -12.119 -10.930
  363    H1*    C  34           H1*        C  34  -2.658 -12.111 -10.784
  364   1H4     C  34          1H4         C  34  -5.029 -16.070  -6.360
  365   2H4     C  34          2H4         C  34  -6.158 -16.677  -7.549
  366    H5     C  34           H5         C  34  -6.095 -16.049  -9.873
  367    H6     C  34           H6         C  34  -4.932 -14.706 -11.561
  368   1H5*    C  35          1H5*        C  35   2.451 -16.646 -12.273
  369   2H5*    C  35          2H5*        C  35   1.146 -17.056 -11.140
  370    H4*    C  35           H4*        C  35   3.382 -15.046 -10.751
  371    H3*    C  35           H3*        C  35   2.807 -17.759  -9.659
  372    H2*    C  35           H2*        C  35   2.993 -17.163  -7.421
  373   2HO*    C  35          2HO*        C  35   4.899 -15.494  -8.436
  374    H1*    C  35           H1*        C  35   2.116 -14.553  -7.473
  375   1H4     C  35          1H4         C  35  -2.773 -18.188  -5.484
  376   2H4     C  35          2H4         C  35  -3.411 -18.130  -7.110
  377    H5     C  35           H5         C  35  -2.217 -17.170  -8.963
  378    H6     C  35           H6         C  35  -0.152 -16.055  -9.664
  379   1H5*    U  36          1H5*        U  36   7.072 -20.564  -9.082
  380   2H5*    U  36          2H5*        U  36   5.313 -20.494  -8.855
  381    H4*    U  36           H4*        U  36   7.408 -19.590  -6.847
  382    H3*    U  36           H3*        U  36   5.841 -22.136  -7.123
  383    H2*    U  36           H2*        U  36   5.146 -22.127  -4.905
  384   2HO*    U  36          2HO*        U  36   6.360 -20.662  -3.377
  385    H1*    U  36           H1*        U  36   5.089 -19.377  -4.422
  386    H3     U  36           H3         U  36   0.892 -21.137  -3.739
  387    H5     U  36           H5         U  36   1.154 -20.316  -7.866
  388    H6     U  36           H6         U  36   3.525 -19.888  -7.563
  389   1H5*    A  37          1H5*        A  37   7.985 -23.255  -3.336
  390   2H5*    A  37          2H5*        A  37   8.646 -24.811  -3.880
  391    H4*    A  37           H4*        A  37   7.085 -24.773  -1.810
  392    H3*    A  37           H3*        A  37   7.594 -26.804  -3.619
  393    H2*    A  37           H2*        A  37   5.682 -26.657  -4.951
  394   2HO*    A  37          2HO*        A  37   5.442 -28.599  -3.648
  395    H1*    A  37           H1*        A  37   3.877 -25.746  -2.752
  396    H8     A  37           H8         A  37   5.333 -24.828  -6.245
  397   1H6     A  37          1H6         A  37  -0.358 -22.795  -7.508
  398   2H6     A  37          2H6         A  37   1.249 -23.063  -8.145
  399    H2     A  37           H2         A  37  -0.294 -24.145  -3.219
  400   1H5*    A  38          1H5*        A  38   8.500 -29.311   1.470
  401   2H5*    A  38          2H5*        A  38   7.009 -29.775   0.626
  402    H4*    A  38           H4*        A  38   7.344 -28.911   3.335
  403    H3*    A  38           H3*        A  38   5.081 -29.916   1.643
  404    H2*    A  38           H2*        A  38   3.440 -28.882   2.928
  405   2HO*    A  38          2HO*        A  38   5.397 -28.888   4.988
  406    H1*    A  38           H1*        A  38   4.793 -26.609   3.731
  407    H8     A  38           H8         A  38   5.592 -26.724   0.136
  408   1H6     A  38          1H6         A  38  -0.118 -24.696  -1.065
  409   2H6     A  38          2H6         A  38   1.476 -24.984  -1.727
  410    H2     A  38           H2         A  38   0.026 -25.947   3.251
  411   1H5*    G  39          1H5*        G  39   2.959 -32.120   5.359
  412   2H5*    G  39          2H5*        G  39   2.024 -32.933   4.087
  413    H4*    G  39           H4*        G  39   1.211 -30.779   5.713
  414    H3*    G  39           H3*        G  39   0.036 -32.289   3.412
  415    H2*    G  39           H2*        G  39  -1.390 -30.565   2.756
  416   2HO*    G  39          2HO*        G  39  -0.970 -29.261   5.251
  417    H1*    G  39           H1*        G  39   0.150 -28.373   3.338
  418    H8     G  39           H8         G  39   2.605 -30.694   1.809
  419    H1     G  39           H1         G  39  -1.385 -28.246  -2.559
  420   1H2     G  39          1H2         G  39  -3.095 -27.254  -1.557
  421   2H2     G  39          2H2         G  39  -3.259 -27.195   0.184
  422   1H5*    U  40          1H5*        U  40  -3.658 -31.237   5.520
  423   2H5*    U  40          2H5*        U  40  -4.527 -32.771   5.719
  424    H4*    U  40           H4*        U  40  -5.887 -31.048   4.571
  425    H3*    U  40           H3*        U  40  -5.181 -33.600   3.138
  426    H2*    U  40           H2*        U  40  -6.117 -32.856   1.127
  427   2HO*    U  40          2HO*        U  40  -7.349 -30.603   1.559
  428    H1*    U  40           H1*        U  40  -5.459 -30.183   1.277
  429    H3     U  40           H3         U  40  -2.994 -31.811  -2.183
  430    H5     U  40           H5         U  40  -0.938 -33.065   1.277
  431    H6     U  40           H6         U  40  -2.800 -32.247   2.600
  432   1H5*    C  41          1H5*        C  41  -9.087 -32.848   2.579
  433   2H5*    C  41          2H5*        C  41 -10.296 -34.124   2.830
  434    H4*    C  41           H4*        C  41 -10.586 -33.213   0.614
  435    H3*    C  41           H3*        C  41  -9.386 -35.981   0.708
  436    H2*    C  41           H2*        C  41  -9.118 -36.004  -1.612
  437   2HO*    C  41          2HO*        C  41 -10.292 -34.570  -2.977
  438    H1*    C  41           H1*        C  41  -8.614 -33.286  -2.001
  439   1H4     C  41          1H4         C  41  -2.937 -36.105  -2.544
  440   2H4     C  41          2H4         C  41  -2.870 -36.370  -0.817
  441    H5     C  41           H5         C  41  -4.673 -35.809   0.677
  442    H6     C  41           H6         C  41  -6.936 -34.883   0.837
  443   1H5*    C  42          1H5*        C  42 -12.251 -35.648  -2.120
  444   2H5*    C  42          2H5*        C  42 -13.638 -36.748  -2.004
  445    H4*    C  42           H4*        C  42 -13.041 -36.719  -4.296
  446    H3*    C  42           H3*        C  42 -12.010 -39.189  -2.897
  447    H2*    C  42           H2*        C  42 -10.928 -39.900  -4.859
  448   2HO*    C  42          2HO*        C  42 -11.492 -38.392  -6.831
  449    H1*    C  42           H1*        C  42 -10.103 -37.434  -5.783
  450   1H4     C  42          1H4         C  42  -4.972 -39.717  -2.800
  451   2H4     C  42          2H4         C  42  -5.718 -39.445  -1.242
  452    H5     C  42           H5         C  42  -7.970 -38.639  -0.978
  453    H6     C  42           H6         C  42 -10.004 -37.932  -2.149
  454   1H5*    U  43          1H5*        U  43 -13.054 -39.990  -6.676
  455   2H5*    U  43          2H5*        U  43 -13.967 -41.494  -6.910
  456    H4*    U  43           H4*        U  43 -11.866 -41.318  -8.276
  457    H3*    U  43           H3*        U  43 -12.282 -43.579  -6.338
  458    H2*    U  43           H2*        U  43 -10.111 -44.280  -6.522
  459   2HO*    U  43          2HO*        U  43  -9.951 -43.275  -9.173
  460    H1*    U  43           H1*        U  43  -9.078 -41.879  -7.816
  461    H3     U  43           H3         U  43  -5.584 -42.849  -5.149
  462    H5     U  43           H5         U  43  -8.727 -42.083  -2.443
  463    H6     U  43           H6         U  43 -10.228 -41.916  -4.344
  464    H3T    U  43           H3T        U  43 -12.310 -43.155  -9.138
  465   1H5*    G  44          1H5*        G  44  -8.749  45.241  -5.545
  466   2H5*    G  44          2H5*        G  44  -8.786  43.479  -5.327
  467    H4*    G  44           H4*        G  44  -8.201  44.125  -7.640
  468    H3*    G  44           H3*        G  44  -6.337  42.520  -5.956
  469    H2*    G  44           H2*        G  44  -4.470  42.805  -7.328
  470   2HO*    G  44          2HO*        G  44  -5.113  43.925  -9.540
  471    H1*    G  44           H1*        G  44  -4.819  45.366  -8.173
  472    H8     G  44           H8         G  44  -5.956  45.284  -4.581
  473    H1     G  44           H1         G  44   0.422  45.402  -5.165
  474   1H2     G  44          1H2         G  44   0.996  45.076  -7.278
  475   2H2     G  44          2H2         G  44  -0.183  44.827  -8.546
  476    H5T    G  44           H5T        G  44  -7.556  45.077  -3.810
  477   1H5*    G  45          1H5*        G  45  -5.111  41.495  -9.393
  478   2H5*    G  45          2H5*        G  45  -5.240  39.759  -9.739
  479    H4*    G  45           H4*        G  45  -2.953  40.511 -10.099
  480    H3*    G  45           H3*        G  45  -3.391  38.702  -7.721
  481    H2*    G  45           H2*        G  45  -1.168  38.925  -7.075
  482   2HO*    G  45          2HO*        G  45  -0.461  39.813  -9.682
  483    H1*    G  45           H1*        G  45  -0.670  41.479  -8.220
  484    H8     G  45           H8         G  45  -3.553  41.542  -5.783
  485    H1     G  45           H1         G  45   2.183  41.887  -2.954
  486   1H2     G  45          1H2         G  45   3.779  41.432  -4.419
  487   2H2     G  45          2H2         G  45   3.439  41.058  -6.094
  488   1H5*    G  46          1H5*        G  46  -0.332  37.579 -10.257
  489   2H5*    G  46          2H5*        G  46  -0.152  35.881 -10.745
  490    H4*    G  46           H4*        G  46   1.994  36.793 -10.014
  491    H3*    G  46           H3*        G  46   0.741  34.682  -8.257
  492    H2*    G  46           H2*        G  46   2.466  34.881  -6.694
  493   2HO*    G  46          2HO*        G  46   4.256  36.462  -7.970
  494    H1*    G  46           H1*        G  46   3.010  37.607  -7.022
  495    H8     G  46           H8         G  46  -0.692  36.748  -6.572
  496    H1     G  46           H1         G  46   2.526  37.490  -1.087
  497   1H2     G  46          1H2         G  46   4.701  37.687  -1.510
  498   2H2     G  46          2H2         G  46   5.351  37.632  -3.131
  499   1H5*    A  47          1H5*        A  47   4.693  33.776  -8.879
  500   2H5*    A  47          2H5*        A  47   5.030  32.136  -9.472
  501    H4*    A  47           H4*        A  47   6.490  32.589  -7.608
  502    H3*    A  47           H3*        A  47   4.268  30.631  -7.070
  503    H2*    A  47           H2*        A  47   4.787  30.507  -4.801
  504   2HO*    A  47          2HO*        A  47   7.360  31.483  -5.541
  505    H1*    A  47           H1*        A  47   5.737  33.105  -4.415
  506    H8     A  47           H8         A  47   2.378  32.694  -6.255
  507   1H6     A  47          1H6         A  47  -0.228  33.303  -0.688
  508   2H6     A  47          2H6         A  47  -0.522  33.174  -2.408
  509    H2     A  47           H2         A  47   4.225  33.101  -0.115
  510   1H5*    U  48          1H5*        U  48   7.675  28.803  -5.428
  511   2H5*    U  48          2H5*        U  48   7.610  27.036  -5.581
  512    H4*    U  48           H4*        U  48   7.608  27.924  -3.213
  513    H3*    U  48           H3*        U  48   5.459  26.088  -4.252
  514    H2*    U  48           H2*        U  48   4.195  26.311  -2.317
  515   2HO*    U  48          2HO*        U  48   6.590  26.141  -1.182
  516    H1*    U  48           H1*        U  48   5.069  28.876  -1.507
  517    H3     U  48           H3         U  48   0.590  29.437  -1.683
  518    H5     U  48           H5         U  48   1.709  28.949  -5.717
  519    H6     U  48           H6         U  48   3.961  28.451  -4.963
  520   1H5*    A  49          1H5*        A  49   8.917  21.960  -0.935
  521   2H5*    A  49          2H5*        A  49   7.158  21.817  -1.130
  522    H4*    A  49           H4*        A  49   8.433  23.703   0.867
  523    H3*    A  49           H3*        A  49   8.656  20.949   1.129
  524    H2*    A  49           H2*        A  49   6.415  20.370   1.378
  525   2HO*    A  49          2HO*        A  49   7.408  20.200   3.520
  526    H1*    A  49           H1*        A  49   5.594  22.916   2.703
  527    H8     A  49           H8         A  49   4.958  21.617  -0.893
  528   1H6     A  49          1H6         A  49  -0.918  20.971   0.920
  529   2H6     A  49          2H6         A  49   0.187  20.858  -0.430
  530    H2     A  49           H2         A  49   1.501  22.240   4.486
  531   1H5*    U  50          1H5*        U  50   9.398  21.645   7.051
  532   2H5*    U  50          2H5*        U  50   8.873  20.118   6.316
  533    H4*    U  50           H4*        U  50   7.526  20.959   8.317
  534    H3*    U  50           H3*        U  50   6.625  19.568   6.051
  535    H2*    U  50           H2*        U  50   5.457  21.316   5.022
  536   2HO*    U  50          2HO*        U  50   3.293  21.504   6.095
  537    H1*    U  50           H1*        U  50   4.774  22.602   7.655
  538    H3     U  50           H3         U  50   6.283  26.785   5.611
  539    H5     U  50           H5         U  50   3.435  24.721   3.289
  540    H6     U  50           H6         U  50   3.784  22.780   4.703
  541   1H5*    G  51          1H5*        G  51   2.422  20.089   7.152
  542   2H5*    G  51          2H5*        G  51   2.330  18.677   8.223
  543    H4*    G  51           H4*        G  51   0.343  18.574   6.978
  544    H3*    G  51           H3*        G  51   2.447  16.723   5.911
  545    H2*    G  51           H2*        G  51   1.282  16.255   3.957
  546   2HO*    G  51          2HO*        G  51  -0.694  15.919   5.446
  547    H1*    G  51           H1*        G  51  -0.088  18.652   3.606
  548    H8     G  51           H8         G  51   3.527  19.440   4.272
  549    H1     G  51           H1         G  51   2.474  17.463  -1.722
  550   1H2     G  51          1H2         G  51   0.420  16.661  -1.907
  551   2H2     G  51          2H2         G  51  -0.692  16.607  -0.559
  552   1H5*    G  52          1H5*        G  52   2.047  12.344   5.989
  553   2H5*    G  52          2H5*        G  52   3.336  13.003   4.961
  554    H4*    G  52           H4*        G  52   0.445  12.486   4.308
  555    H3*    G  52           H3*        G  52   3.100  11.660   3.212
  556    H2*    G  52           H2*        G  52   2.519  12.018   0.980
  557   2HO*    G  52          2HO*        G  52  -0.225  12.122   1.738
  558    H1*    G  52           H1*        G  52   0.921  14.211   1.206
  559    H8     G  52           H8         G  52   3.503  15.214   3.582
  560    H1     G  52           H1         G  52   5.854  15.083  -2.371
  561   1H2     G  52          1H2         G  52   4.448  13.996  -3.713
  562   2H2     G  52          2H2         G  52   2.949  13.301  -3.142
  563   1H5*    A  53          1H5*        A  53   0.692   8.846   1.312
  564   2H5*    A  53          2H5*        A  53   1.231   7.173   1.564
  565    H4*    A  53           H4*        A  53   1.174   7.803  -0.832
  566    H3*    A  53           H3*        A  53   3.826   7.100   0.426
  567    H2*    A  53           H2*        A  53   4.960   7.612  -1.538
  568   2HO*    A  53          2HO*        A  53   4.168   7.205  -3.495
  569    H1*    A  53           H1*        A  53   3.172   9.546  -2.560
  570    H8     A  53           H8         A  53   4.179  10.607   0.872
  571   1H6     A  53          1H6         A  53   9.415  12.772  -1.578
  572   2H6     A  53          2H6         A  53   8.401  12.739  -0.153
  573    H2     A  53           H2         A  53   7.366  10.274  -4.697
  574   1H5*    A  54          1H5*        A  54   3.463   5.028  -3.550
  575   2H5*    A  54          2H5*        A  54   4.077   3.390  -3.250
  576    H4*    A  54           H4*        A  54   5.120   4.561  -5.216
  577    H3*    A  54           H3*        A  54   6.861   3.630  -2.920
  578    H2*    A  54           H2*        A  54   8.756   4.445  -4.057
  579   2HO*    A  54          2HO*        A  54   7.238   3.881  -6.253
  580    H1*    A  54           H1*        A  54   7.596   6.727  -5.113
  581    H8     A  54           H8         A  54   6.591   6.162  -1.481
  582   1H6     A  54          1H6         A  54  11.716   9.265   0.031
  583   2H6     A  54          2H6         A  54  10.232   8.557   0.632
  584    H2     A  54           H2         A  54  11.816   8.504  -4.396
  585   1H5*    G  55          1H5*        G  55   8.697   1.890  -6.511
  586   2H5*    G  55          2H5*        G  55   9.356   0.308  -6.049
  587    H4*    G  55           H4*        G  55  11.069   1.844  -6.990
  588    H3*    G  55           H3*        G  55  11.401   0.994  -4.098
  589    H2*    G  55           H2*        G  55  13.435   2.193  -4.046
  590   2HO*    G  55          2HO*        G  55  14.585   2.708  -5.862
  591    H1*    G  55           H1*        G  55  12.613   4.298  -5.672
  592    H8     G  55           H8         G  55  10.140   3.263  -2.929
  593    H1     G  55           H1         G  55  14.711   7.277  -0.971
  594   1H2     G  55          1H2         G  55  16.213   7.567  -2.583
  595   2H2     G  55          2H2         G  55  16.083   6.772  -4.136
  596   1H5*    A  56          1H5*        A  56  15.063   0.145  -6.211
  597   2H5*    A  56          2H5*        A  56  15.713  -1.411  -5.659
  598    H4*    A  56           H4*        A  56  17.359   0.451  -5.521
  599    H3*    A  56           H3*        A  56  16.519  -0.951  -2.976
  600    H2*    A  56           H2*        A  56  17.912   0.464  -1.726
  601   2HO*    A  56          2HO*        A  56  19.654   1.555  -2.611
  602    H1*    A  56           H1*        A  56  17.610   2.767  -3.273
  603    H8     A  56           H8         A  56  14.323   1.007  -2.427
  604   1H6     A  56          1H6         A  56  14.236   4.495   2.665
  605   2H6     A  56          2H6         A  56  13.329   3.379   1.672
  606    H2     A  56           H2         A  56  18.227   5.065   0.666
  607   1H5*    A  57          1H5*        A  57  20.642  -1.255  -2.783
  608   2H5*    A  57          2H5*        A  57  21.181  -2.917  -2.471
  609    H4*    A  57           H4*        A  57  22.139  -1.586  -0.755
  610    H3*    A  57           H3*        A  57  19.684  -3.049   0.247
  611    H2*    A  57           H2*        A  57  20.000  -2.074   2.367
  612   2HO*    A  57          2HO*        A  57  22.643  -1.552   1.460
  613    H1*    A  57           H1*        A  57  20.862   0.415   1.492
  614    H8     A  57           H8         A  57  17.843  -1.186  -0.301
  615   1H6     A  57          1H6         A  57  14.348   1.812   3.800
  616   2H6     A  57          2H6         A  57  14.351   0.790   2.382
  617    H2     A  57           H2         A  57  18.660   2.480   4.912
  618   1H5*    C  58          1H5*        C  58  22.781  -3.642   3.166
  619   2H5*    C  58          2H5*        C  58  22.823  -5.368   3.579
  620    H4*    C  58           H4*        C  58  22.707  -4.004   5.603
  621    H3*    C  58           H3*        C  58  20.227  -5.623   4.970
  622    H2*    C  58           H2*        C  58  19.190  -4.767   6.887
  623   2HO*    C  58          2HO*        C  58  20.954  -3.455   8.280
  624    H1*    C  58           H1*        C  58  20.416  -2.238   6.880
  625   1H4     C  58          1H4         C  58  14.449  -1.129   4.965
  626   2H4     C  58          2H4         C  58  14.770  -1.894   3.424
  627    H5     C  58           H5         C  58  16.870  -2.937   2.880
  628    H6     C  58           H6         C  58  19.097  -3.531   3.713
  629   1H5*    C  59          1H5*        C  59  20.906  -5.871   8.953
  630   2H5*    C  59          2H5*        C  59  20.527  -7.470   9.623
  631    H4*    C  59           H4*        C  59  19.162  -5.676  10.639
  632    H3*    C  59           H3*        C  59  17.705  -7.753   8.984
  633    H2*    C  59           H2*        C  59  15.692  -6.662   9.428
  634   2HO*    C  59          2HO*        C  59  15.321  -5.490  11.271
  635    H1*    C  59           H1*        C  59  16.776  -4.050   9.751
  636   1H4     C  59          1H4         C  59  13.251  -3.726   4.476
  637   2H4     C  59          2H4         C  59  14.320  -4.832   3.637
  638    H5     C  59           H5         C  59  16.233  -5.872   4.686
  639    H6     C  59           H6         C  59  17.493  -6.117   6.774
  640   1H5*    G  60          1H5*        G  60  16.568  -7.385  13.452
  641   2H5*    G  60          2H5*        G  60  16.306  -9.039  14.040
  642    H4*    G  60           H4*        G  60  14.632  -7.611  15.019
  643    H3*    G  60           H3*        G  60  13.577  -9.434  12.849
  644    H2*    G  60           H2*        G  60  11.423  -8.526  13.128
  645   2HO*    G  60          2HO*        G  60  11.621  -6.844  15.168
  646    H1*    G  60           H1*        G  60  12.168  -5.904  13.537
  647    H8     G  60           H8         G  60  14.230  -7.515  10.781
  648    H1     G  60           H1         G  60   8.553  -5.320   8.800
  649   1H2     G  60          1H2         G  60   7.315  -4.734  10.538
  650   2H2     G  60          2H2         G  60   7.881  -4.881  12.186
  651   1H5*    G  61          1H5*        G  61  10.531  -9.100  15.268
  652   2H5*    G  61          2H5*        G  61  10.309 -10.635  16.127
  653    H4*    G  61           H4*        G  61   8.141 -10.058  15.449
  654    H3*    G  61           H3*        G  61   9.345 -11.991  13.463
  655    H2*    G  61           H2*        G  61   7.483 -11.790  12.078
  656   2HO*    G  61          2HO*        G  61   5.597 -10.558  13.411
  657    H1*    G  61           H1*        G  61   6.737  -9.155  12.785
  658    H8     G  61           H8         G  61  10.339  -9.613  11.605
  659    H1     G  61           H1         G  61   6.138  -8.735   6.861
  660   1H2     G  61          1H2         G  61   4.070  -8.807   7.654
  661   2H2     G  61          2H2         G  61   3.723  -9.062   9.349
  662   1H5*    G  62          1H5*        G  62   5.243 -12.651  13.744
  663   2H5*    G  62          2H5*        G  62   5.013 -14.294  14.373
  664    H4*    G  62           H4*        G  62   3.487 -14.041  12.563
  665    H3*    G  62           H3*        G  62   5.912 -15.676  11.820
  666    H2*    G  62           H2*        G  62   5.258 -15.756   9.594
  667   2HO*    G  62          2HO*        G  62   3.022 -15.517   8.995
  668    H1*    G  62           H1*        G  62   3.687 -13.382   9.532
  669    H8     G  62           H8         G  62   7.420 -13.306  10.499
  670    H1     G  62           H1         G  62   6.243 -12.317   4.287
  671   1H2     G  62          1H2         G  62   4.084 -12.600   3.863
  672   2H2     G  62          2H2         G  62   2.932 -13.033   5.108
  673   1H5*    G  63          1H5*        G  63   4.937 -20.033  10.563
  674   2H5*    G  63          2H5*        G  63   6.468 -19.441   9.886
  675    H4*    G  63           H4*        G  63   3.703 -19.347   8.753
  676    H3*    G  63           H3*        G  63   6.437 -20.086   7.791
  677    H2*    G  63           H2*        G  63   6.193 -19.065   5.700
  678   2HO*    G  63          2HO*        G  63   4.365 -19.308   4.703
  679    H1*    G  63           H1*        G  63   4.825 -16.828   6.396
  680    H8     G  63           H8         G  63   7.033 -17.070   9.326
  681    H1     G  63           H1         G  63  10.395 -15.709   4.050
  682   1H2     G  63          1H2         G  63   9.146 -15.997   2.260
  683   2H2     G  63          2H2         G  63   7.485 -16.541   2.350
  684   1H5*    A  64          1H5*        A  64   7.534 -23.981   7.257
  685   2H5*    A  64          2H5*        A  64   8.335 -22.469   6.786
  686    H4*    A  64           H4*        A  64   8.817 -24.679   5.463
  687    H3*    A  64           H3*        A  64   8.531 -21.897   4.439
  688    H2*    A  64           H2*        A  64   8.187 -22.488   2.214
  689   2HO*    A  64          2HO*        A  64  10.032 -23.808   2.044
  690    H1*    A  64           H1*        A  64   6.822 -24.847   2.478
  691    H8     A  64           H8         A  64   5.642 -22.252   5.020
  692   1H6     A  64          1H6         A  64   1.663 -20.383   0.687
  693   2H6     A  64          2H6         A  64   2.148 -20.225   2.360
  694    H2     A  64           H2         A  64   4.452 -23.350  -1.202
  695   1H5*    A  65          1H5*        A  65  11.721 -20.558   1.412
  696   2H5*    A  65          2H5*        A  65  10.716 -19.287   2.136
  697    H4*    A  65           H4*        A  65  10.360 -20.777  -0.363
  698    H3*    A  65           H3*        A  65   9.412 -18.163   0.791
  699    H2*    A  65           H2*        A  65   7.470 -18.179  -0.496
  700   2HO*    A  65          2HO*        A  65   8.288 -18.472  -2.515
  701    H1*    A  65           H1*        A  65   7.023 -20.919  -0.622
  702    H8     A  65           H8         A  65   7.532 -20.527   2.965
  703   1H6     A  65          1H6         A  65   1.956 -17.904   3.392
  704   2H6     A  65          2H6         A  65   3.277 -18.625   4.282
  705    H2     A  65           H2         A  65   3.109 -18.002  -0.952
  706   1H5*    A  66          1H5*        A  66   9.950 -15.841  -4.175
  707   2H5*    A  66          2H5*        A  66   9.788 -14.664  -2.856
  708    H4*    A  66           H4*        A  66   7.943 -15.201  -4.915
  709    H3*    A  66           H3*        A  66   7.947 -13.500  -2.441
  710    H2*    A  66           H2*        A  66   5.604 -13.332  -2.388
  711   2HO*    A  66          2HO*        A  66   4.504 -13.174  -4.173
  712    H1*    A  66           H1*        A  66   4.950 -15.869  -3.110
  713    H8     A  66           H8         A  66   8.092 -15.726  -0.919
  714   1H6     A  66          1H6         A  66   4.265 -16.163   3.908
  715   2H6     A  66          2H6         A  66   5.940 -16.181   3.396
  716    H2     A  66           H2         A  66   1.766 -15.647   0.194
  717   1H5*    C  67          1H5*        C  67   5.718 -11.442  -4.561
  718   2H5*    C  67          2H5*        C  67   5.778  -9.671  -4.471
  719    H4*    C  67           H4*        C  67   3.765 -10.654  -3.377
  720    H3*    C  67           H3*        C  67   5.728  -9.076  -1.703
  721    H2*    C  67           H2*        C  67   4.383  -9.424   0.200
  722   2HO*    C  67          2HO*        C  67   2.287 -10.637  -1.222
  723    H1*    C  67           H1*        C  67   3.667 -12.036  -0.336
  724   1H4     C  67          1H4         C  67   8.614 -12.398   3.670
  725   2H4     C  67          2H4         C  67   9.727 -12.070   2.362
  726    H5     C  67           H5         C  67   9.012 -11.581   0.114
  727    H6     C  67           H6         C  67   7.076 -11.259  -1.354
  728   1H5*    U  68          1H5*        U  68   2.416  -8.030  -0.666
  729   2H5*    U  68          2H5*        U  68   1.837  -6.352  -0.693
  730    H4*    U  68           H4*        U  68   1.421  -7.174   1.502
  731    H3*    U  68           H3*        U  68   3.881  -5.411   1.423
  732    H2*    U  68           H2*        U  68   4.176  -5.751   3.732
  733   2HO*    U  68          2HO*        U  68   1.417  -6.156   3.653
  734    H1*    U  68           H1*        U  68   3.240  -8.388   3.829
  735    H3     U  68           H3         U  68   7.547  -8.765   5.177
  736    H5     U  68           H5         U  68   7.821  -8.051   1.033
  737    H6     U  68           H6         U  68   5.425  -7.661   1.008
  738   1H5*    U  69          1H5*        U  69   1.567  -4.505   4.288
  739   2H5*    U  69          2H5*        U  69   0.905  -2.889   4.612
  740    H4*    U  69           H4*        U  69   1.765  -3.580   6.687
  741    H3*    U  69           H3*        U  69   3.796  -1.841   5.273
  742    H2*    U  69           H2*        U  69   5.314  -2.182   7.010
  743   2HO*    U  69          2HO*        U  69   4.677  -2.777   9.099
  744    H1*    U  69           H1*        U  69   4.502  -4.771   7.747
  745    H3     U  69           H3         U  69   8.806  -5.554   6.653
  746    H5     U  69           H5         U  69   7.082  -4.316   3.017
  747    H6     U  69           H6         U  69   5.031  -3.846   4.222
  748   1H5*    G  70          1H5*        G  70   3.712  -0.986   8.874
  749   2H5*    G  70          2H5*        G  70   3.736   0.670   9.508
  750    H4*    G  70           H4*        G  70   5.637  -0.412  10.426
  751    H3*    G  70           H3*        G  70   6.454   1.307   8.063
  752    H2*    G  70           H2*        G  70   8.657   0.615   8.383
  753   2HO*    G  70          2HO*        G  70   8.458   1.232  10.715
  754    H1*    G  70           H1*        G  70   8.046  -1.895   9.587
  755    H8     G  70           H8         G  70   6.866  -1.044   6.000
  756    H1     G  70           H1         G  70  12.527  -4.002   6.431
  757   1H2     G  70          1H2         G  70  13.115  -4.189   8.563
  758   2H2     G  70          2H2         G  70  12.115  -3.589   9.866
  759   1H5*    G  71          1H5*        G  71   8.399   2.322  12.249
  760   2H5*    G  71          2H5*        G  71   8.379   4.096  12.270
  761    H4*    G  71           H4*        G  71  10.445   3.498  13.237
  762    H3*    G  71           H3*        G  71  10.806   4.269  10.338
  763    H2*    G  71           H2*        G  71  13.119   3.785  10.488
  764   2HO*    G  71          2HO*        G  71  14.203   3.965  12.303
  765    H1*    G  71           H1*        G  71  12.917   1.462  11.880
  766    H8     G  71           H8         G  71   9.974   1.917   9.490
  767    H1     G  71           H1         G  71  15.170  -0.592   6.719
  768   1H2     G  71          1H2         G  71  16.882  -0.536   8.137
  769   2H2     G  71          2H2         G  71  16.747   0.122   9.751
  770   1H5*    U  72          1H5*        U  72  14.121   6.124  12.499
  771   2H5*    U  72          2H5*        U  72  14.012   7.852  12.110
  772    H4*    U  72           H4*        U  72  16.306   7.081  11.840
  773    H3*    U  72           H3*        U  72  14.857   7.786   9.282
  774    H2*    U  72           H2*        U  72  16.731   7.167   8.023
  775   2HO*    U  72          2HO*        U  72  18.739   6.713   9.558
  776    H1*    U  72           H1*        U  72  17.646   5.092   9.654
  777    H3     U  72           H3         U  72  16.683   2.949   5.782
  778    H5     U  72           H5         U  72  12.912   3.859   7.426
  779    H6     U  72           H6         U  72  14.043   5.181   9.118
  780   1H5*    U  73          1H5*        U  73  18.877   9.679   9.149
  781   2H5*    U  73          2H5*        U  73  18.596  11.333   8.570
  782    H4*    U  73           H4*        U  73  20.346  10.227   7.261
  783    H3*    U  73           H3*        U  73  17.757  10.766   5.772
  784    H2*    U  73           H2*        U  73  18.766   9.878   3.820
  785   2HO*    U  73          2HO*        U  73  21.020  10.791   4.988
  786    H1*    U  73           H1*        U  73  20.040   7.773   5.036
  787    H3     U  73           H3         U  73  16.762   5.723   2.710
  788    H5     U  73           H5         U  73  14.712   7.654   5.852
  789    H6     U  73           H6         U  73  16.807   8.700   6.488
  790   1H5*    C  74          1H5*        C  74  20.901  11.677   3.241
  791   2H5*    C  74          2H5*        C  74  20.622  13.239   2.447
  792    H4*    C  74           H4*        C  74  21.072  11.457   0.816
  793    H3*    C  74           H3*        C  74  18.261  12.601   0.768
  794    H2*    C  74           H2*        C  74  17.855  11.241  -1.139
  795   2HO*    C  74          2HO*        C  74  20.101   9.982  -1.639
  796    H1*    C  74           H1*        C  74  19.170   9.007  -0.198
  797   1H4     C  74          1H4         C  74  13.136   7.892   1.426
  798   2H4     C  74          2H4         C  74  13.285   8.959   2.802
  799    H5     C  74           H5         C  74  15.256  10.268   3.251
  800    H6     C  74           H6         C  74  17.480  10.886   2.435
  801   1H5*    U  75          1H5*        U  75  19.958  13.490  -2.818
  802   2H5*    U  75          2H5*        U  75  19.324  14.810  -3.824
  803    H4*    U  75           H4*        U  75  18.751  12.550  -4.694
  804    H3*    U  75           H3*        U  75  16.481  14.349  -3.811
  805    H2*    U  75           H2*        U  75  14.976  12.693  -4.455
  806   2HO*    U  75          2HO*        U  75  16.977  12.079  -6.298
  807    H1*    U  75           H1*        U  75  16.675  10.473  -3.972
  808    H3     U  75           H3         U  75  12.899   9.574  -1.604
  809    H5     U  75           H5         U  75  14.792  12.653   0.566
  810    H6     U  75           H6         U  75  16.391  12.861  -1.248
  811   1H5*    U  76          1H5*        U  76  15.919  13.440  -7.961
  812   2H5*    U  76          2H5*        U  76  15.310  14.814  -8.903
  813    H4*    U  76           H4*        U  76  13.890  12.843  -9.205
  814    H3*    U  76           H3*        U  76  12.670  15.190  -7.747
  815    H2*    U  76           H2*        U  76  10.691  13.995  -7.397
  816   2HO*    U  76          2HO*        U  76   9.971  13.126  -9.177
  817    H1*    U  76           H1*        U  76  11.795  11.419  -7.212
  818    H3     U  76           H3         U  76   9.841  11.919  -3.144
  819    H5     U  76           H5         U  76  13.202  14.464  -3.023
  820    H6     U  76           H6         U  76  13.538  14.029  -5.384
  821   1H5*    C  77          1H5*        C  77   8.498  15.943 -11.091
  822   2H5*    C  77          2H5*        C  77   8.607  16.510  -9.412
  823    H4*    C  77           H4*        C  77   7.300  14.010 -10.490
  824    H3*    C  77           H3*        C  77   6.368  16.449  -9.025
  825    H2*    C  77           H2*        C  77   5.088  15.263  -7.495
  826   2HO*    C  77          2HO*        C  77   4.009  13.460  -8.009
  827    H1*    C  77           H1*        C  77   6.512  12.872  -7.378
  828   1H4     C  77          1H4         C  77   7.848  16.006  -1.979
  829   2H4     C  77          2H4         C  77   9.217  16.751  -2.776
  830    H5     C  77           H5         C  77   9.662  16.517  -5.129
  831    H6     C  77           H6         C  77   8.910  15.493  -7.227
  832   1H5*    C  78          1H5*        C  78   1.375  15.906 -10.543
  833   2H5*    C  78          2H5*        C  78   1.611  17.519  -9.839
  834    H4*    C  78           H4*        C  78   0.246  15.245  -8.733
  835    H3*    C  78           H3*        C  78   0.657  18.123  -7.958
  836    H2*    C  78           H2*        C  78   0.284  17.703  -5.708
  837   2HO*    C  78          2HO*        C  78  -1.782  16.678  -6.250
  838    H1*    C  78           H1*        C  78   1.076  14.997  -5.602
  839   1H4     C  78          1H4         C  78   5.457  18.335  -2.376
  840   2H4     C  78          2H4         C  78   6.338  18.582  -3.867
  841    H5     C  78           H5         C  78   5.492  17.925  -6.024
  842    H6     C  78           H6         C  78   3.630  16.869  -7.215
  843   1H5*    U  79          1H5*        U  79  -2.515  21.060  -8.716
  844   2H5*    U  79          2H5*        U  79  -1.118  21.647  -7.791
  845    H4*    U  79           H4*        U  79  -3.430  19.943  -6.887
  846    H3*    U  79           H3*        U  79  -2.186  22.535  -6.045
  847    H2*    U  79           H2*        U  79  -2.274  22.051  -3.775
  848   2HO*    U  79          2HO*        U  79  -4.639  21.147  -4.386
  849    H1*    U  79           H1*        U  79  -2.028  19.281  -3.836
  850    H3     U  79           H3         U  79   1.427  21.421  -1.553
  851    H5     U  79           H5         U  79   2.716  20.794  -5.517
  852    H6     U  79           H6         U  79   0.439  20.186  -6.091
  853   1H5*    A  80          1H5*        A  80  -5.174  22.475  -3.158
  854   2H5*    A  80          2H5*        A  80  -6.192  23.884  -3.522
  855    H4*    A  80           H4*        A  80  -5.358  23.783  -1.153
  856    H3*    A  80           H3*        A  80  -5.632  26.056  -2.677
  857    H2*    A  80           H2*        A  80  -3.393  26.321  -3.355
  858   2HO*    A  80          2HO*        A  80  -3.944  28.075  -1.863
  859    H1*    A  80           H1*        A  80  -2.281  25.366  -0.740
  860    H8     A  80           H8         A  80  -2.231  24.616  -4.574
  861   1H6     A  80          1H6         A  80   3.876  24.082  -3.832
  862   2H6     A  80          2H6         A  80   2.556  24.030  -4.977
  863    H2     A  80           H2         A  80   2.063  24.952   0.194
  864   1H5*    A  81          1H5*        A  81  -8.434  27.626   2.031
  865   2H5*    A  81          2H5*        A  81  -6.964  28.555   1.677
  866    H4*    A  81           H4*        A  81  -7.807  27.464   4.163
  867    H3*    A  81           H3*        A  81  -5.483  29.080   3.190
  868    H2*    A  81           H2*        A  81  -4.039  28.375   4.871
  869   2HO*    A  81          2HO*        A  81  -5.790  28.853   6.480
  870    H1*    A  81           H1*        A  81  -4.925  25.795   5.266
  871    H8     A  81           H8         A  81  -4.840  25.984   1.585
  872   1H6     A  81          1H6         A  81   1.301  25.397   1.838
  873   2H6     A  81          2H6         A  81  -0.107  25.355   0.802
  874    H2     A  81           H2         A  81  -0.174  26.287   5.992
  875   1H5*    G  82          1H5*        G  82  -4.727  32.652   7.133
  876   2H5*    G  82          2H5*        G  82  -4.035  32.536   5.502
  877    H4*    G  82           H4*        G  82  -3.066  31.363   8.085
  878    H3*    G  82           H3*        G  82  -1.903  32.970   5.841
  879    H2*    G  82           H2*        G  82   0.104  31.778   5.792
  880   2HO*    G  82          2HO*        G  82   0.057  30.179   7.912
  881    H1*    G  82           H1*        G  82  -0.798  29.258   6.408
  882    H8     G  82           H8         G  82  -3.378  30.387   4.028
  883    H1     G  82           H1         G  82   2.180  29.231   1.068
  884   1H2     G  82          1H2         G  82   3.810  29.033   2.561
  885   2H2     G  82          2H2         G  82   3.532  29.189   4.282
  886   1H5*    U  83          1H5*        U  83   0.872  33.206   8.344
  887   2H5*    U  83          2H5*        U  83   1.271  34.705   9.209
  888    H4*    U  83           H4*        U  83   3.335  34.051   8.353
  889    H3*    U  83           H3*        U  83   2.044  36.054   6.521
  890    H2*    U  83           H2*        U  83   3.649  35.743   4.848
  891   2HO*    U  83          2HO*        U  83   5.638  34.469   5.469
  892    H1*    U  83           H1*        U  83   4.136  33.044   5.165
  893    H3     U  83           H3         U  83   2.153  33.278   1.094
  894    H5     U  83           H5         U  83  -1.010  33.834   3.825
  895    H6     U  83           H6         U  83   0.632  33.914   5.610
  896   1H5*    C  84          1H5*        C  84   5.717  36.897   6.614
  897   2H5*    C  84          2H5*        C  84   6.379  38.484   7.053
  898    H4*    C  84           H4*        C  84   7.289  37.982   4.924
  899    H3*    C  84           H3*        C  84   4.978  39.915   4.752
  900    H2*    C  84           H2*        C  84   5.032  39.881   2.422
  901   2HO*    C  84          2HO*        C  84   6.936  39.142   1.287
  902    H1*    C  84           H1*        C  84   5.947  37.256   2.057
  903   1H4     C  84          1H4         C  84  -0.190  37.010   0.443
  904   2H4     C  84          2H4         C  84  -0.677  37.217   2.111
  905    H5     C  84           H5         C  84   0.889  37.595   3.907
  906    H6     C  84           H6         C  84   3.257  37.865   4.485
  907   1H5*    C  85          1H5*        C  85   8.253  40.574   2.565
  908   2H5*    C  85          2H5*        C  85   9.151  42.103   2.639
  909    H4*    C  85           H4*        C  85   9.137  41.446   0.353
  910    H3*    C  85           H3*        C  85   7.150  43.641   0.946
  911    H2*    C  85           H2*        C  85   6.382  43.603  -1.273
  912   2HO*    C  85          2HO*        C  85   7.580  42.528  -2.935
  913    H1*    C  85           H1*        C  85   6.538  40.882  -1.709
  914   1H4     C  85          1H4         C  85   0.425  41.848  -0.227
  915   2H4     C  85          2H4         C  85   0.839  42.070   1.457
  916    H5     C  85           H5         C  85   3.102  42.077   2.269
  917    H6     C  85           H6         C  85   5.464  41.884   1.646
  918   1H5*    U  86          1H5*        U  86   8.528  44.182  -2.631
  919   2H5*    U  86          2H5*        U  86   9.137  45.809  -2.991
  920    H4*    U  86           H4*        U  86   7.468  45.108  -4.641
  921    H3*    U  86           H3*        U  86   6.786  47.399  -2.826
  922    H2*    U  86           H2*        U  86   4.569  47.337  -3.372
  923   2HO*    U  86          2HO*        U  86   5.460  46.700  -5.999
  924    H1*    U  86           H1*        U  86   4.674  44.791  -4.840
  925    H3     U  86           H3         U  86   0.504  44.445  -3.197
  926    H5     U  86           H5         U  86   2.908  44.699   0.257
  927    H6     U  86           H6         U  86   4.813  45.118  -1.186
  928    H3T    U  86           H3T        U  86   8.268  47.398  -4.719
  929   1HO1  MN6 101          1HO1      MN6 101  -2.333 -42.583   0.037
  930   2HO1  MN6 101          2HO1      MN6 101  -1.867 -43.707  -0.952
  931   1HO2  MN6 101          1HO2      MN6 101  -1.058 -40.011  -4.137
  932   2HO2  MN6 101          2HO2      MN6 101  -2.284 -39.336  -3.431
  933   1HO3  MN6 101          1HO3      MN6 101  -3.535 -40.124  -1.016
  934   2HO3  MN6 101          2HO3      MN6 101  -3.959 -41.634  -0.996
  935   1HO4  MN6 101          1HO4      MN6 101   0.580 -41.652  -2.943
  936   2HO4  MN6 101          2HO4      MN6 101   0.047 -43.080  -2.579
  937   1HO5  MN6 101          1HO5      MN6 101  -2.467 -43.725  -3.195
  938   2HO5  MN6 101          2HO5      MN6 101  -3.767 -42.937  -2.812
  939   1HO6  MN6 101          1HO6      MN6 101   0.002 -40.186  -1.121
  940   2HO6  MN6 101          2HO6      MN6 101  -1.257 -40.220  -0.187
  941   1HO1  MN6 102          1HO1      MN6 102   5.387 -27.584 -10.498
  942   2HO1  MN6 102          2HO1      MN6 102   4.428 -27.444  -9.265
  943   1HO2  MN6 102          1HO2      MN6 102   5.272 -32.295 -10.051
  944   2HO2  MN6 102          2HO2      MN6 102   5.796 -32.210  -8.576
  945   1HO3  MN6 102          1HO3      MN6 102   5.219 -30.025 -11.874
  946   2HO3  MN6 102          2HO3      MN6 102   3.948 -30.769 -11.335
  947   1HO4  MN6 102          1HO4      MN6 102   6.424 -30.159  -7.221
  948   2HO4  MN6 102          2HO4      MN6 102   5.638 -28.804  -7.190
  949   1HO5  MN6 102          1HO5      MN6 102   2.751 -30.520  -9.177
  950   2HO5  MN6 102          2HO5      MN6 102   2.837 -28.973  -9.423
  951   1HO6  MN6 102          1HO6      MN6 102   7.660 -29.751  -9.361
  952   2HO6  MN6 102          2HO6      MN6 102   7.123 -29.384 -10.787
  953   1HO1  MN6 103          1HO1      MN6 103  -5.568 -12.964  -1.934
  954   2HO1  MN6 103          2HO1      MN6 103  -4.726 -14.085  -1.231
  955   1HO2  MN6 103          1HO2      MN6 103  -9.676 -15.154  -0.785
  956   2HO2  MN6 103          2HO2      MN6 103  -9.096 -14.942   0.657
  957   1HO3  MN6 103          1HO3      MN6 103  -7.743 -12.707  -2.444
  958   2HO3  MN6 103          2HO3      MN6 103  -8.402 -13.970  -3.096
  959   1HO4  MN6 103          1HO4      MN6 103  -5.990 -16.442   0.229
  960   2HO4  MN6 103          2HO4      MN6 103  -6.731 -15.532   1.268
  961   1HO5  MN6 103          1HO5      MN6 103  -7.838 -13.136   0.960
  962   2HO5  MN6 103          2HO5      MN6 103  -7.738 -12.267  -0.340
  963   1HO6  MN6 103          1HO6      MN6 103  -6.501 -15.966  -2.924
  964   2HO6  MN6 103          2HO6      MN6 103  -8.054 -16.115  -2.766
  965   1HO1  MN6 104          1HO1      MN6 104  -9.330  -5.531  -1.544
  966   2HO1  MN6 104          2HO1      MN6 104  -9.863  -4.457  -2.554
  967   1HO2  MN6 104          1HO2      MN6 104 -11.134  -2.987   2.046
  968   2HO2  MN6 104          2HO2      MN6 104  -9.971  -1.962   1.815
  969   1HO3  MN6 104          1HO3      MN6 104  -7.627  -3.034   0.211
  970   2HO3  MN6 104          2HO3      MN6 104  -8.070  -2.233  -1.062
  971   1HO4  MN6 104          1HO4      MN6 104 -11.691  -4.948   0.945
  972   2HO4  MN6 104          2HO4      MN6 104 -11.434  -5.497  -0.501
  973   1HO5  MN6 104          1HO5      MN6 104  -8.680  -5.497   0.587
  974   2HO5  MN6 104          2HO5      MN6 104  -9.536  -5.022   1.811
  975   1HO6  MN6 104          1HO6      MN6 104 -11.022  -1.382  -0.944
  976   2HO6  MN6 104          2HO6      MN6 104 -10.161  -2.007  -2.096
  977   1HO1  MN6 105          1HO1      MN6 105 -12.787  11.705   4.122
  978   2HO1  MN6 105          2HO1      MN6 105 -12.587  10.156   3.980
  979   1HO2  MN6 105          1HO2      MN6 105 -11.349  11.678   8.602
  980   2HO2  MN6 105          2HO2      MN6 105 -12.335  10.516   8.962
  981   1HO3  MN6 105          1HO3      MN6 105 -13.467  12.658   7.656
  982   2HO3  MN6 105          2HO3      MN6 105 -14.002  12.599   6.184
  983   1HO4  MN6 105          1HO4      MN6 105  -9.930  10.422   5.914
  984   2HO4  MN6 105          2HO4      MN6 105 -10.800   9.506   4.989
  985   1HO5  MN6 105          1HO5      MN6 105 -11.929  13.290   6.135
  986   2HO5  MN6 105          2HO5      MN6 105 -10.926  12.538   5.192
  987   1HO6  MN6 105          1HO6      MN6 105 -14.218   9.600   7.352
  988   2HO6  MN6 105          2HO6      MN6 105 -13.777   8.909   6.016
  989   1HO1  MN6 106          1HO1      MN6 106  -4.849  41.776   0.922
  990   2HO1  MN6 106          2HO1      MN6 106  -4.329  43.121   0.308
  991   1HO2  MN6 106          1HO2      MN6 106  -1.317  39.475  -1.542
  992   2HO2  MN6 106          2HO2      MN6 106  -2.495  39.613  -2.566
  993   1HO3  MN6 106          1HO3      MN6 106  -4.441  40.866  -2.663
  994   2HO3  MN6 106          2HO3      MN6 106  -5.256  41.593  -1.538
  995   1HO4  MN6 106          1HO4      MN6 106  -1.500  41.903   1.200
  996   2HO4  MN6 106          2HO4      MN6 106  -1.311  40.363   0.974
  997   1HO5  MN6 106          1HO5      MN6 106  -3.681  39.647   1.222
  998   2HO5  MN6 106          2HO5      MN6 106  -4.429  39.212  -0.085
  999   1HO6  MN6 106          1HO6      MN6 106  -2.030  43.404  -1.186
 1000   2HO6  MN6 106          2HO6      MN6 106  -3.431  43.246  -1.871
 1001   1HO1  MN6 107          1HO1      MN6 107  -2.142  27.524  -6.737
 1002   2HO1  MN6 107          2HO1      MN6 107  -3.611  27.079  -7.056
 1003   1HO2  MN6 107          1HO2      MN6 107  -2.942  31.096  -9.862
 1004   2HO2  MN6 107          2HO2      MN6 107  -4.484  30.953  -9.619
 1005   1HO3  MN6 107          1HO3      MN6 107  -5.156  30.894  -7.058
 1006   2HO3  MN6 107          2HO3      MN6 107  -4.559  30.044  -5.883
 1007   1HO4  MN6 107          1HO4      MN6 107  -1.429  28.134  -8.863
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.610  29.400  -9.770
 1009   1HO5  MN6 107          1HO5      MN6 107  -5.138  28.879  -9.698
 1010   2HO5  MN6 107          2HO5      MN6 107  -5.578  28.309  -8.304
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.177  30.306  -7.177
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.274  31.409  -6.983
 1013   1HO1  MN6 108          1HO1      MN6 108  10.414  14.469   1.924
 1014   2HO1  MN6 108          2HO1      MN6 108   9.730  15.820   1.517
 1015   1HO2  MN6 108          1HO2      MN6 108   7.893  15.994   5.954
 1016   2HO2  MN6 108          2HO2      MN6 108   6.942  14.826   5.520
 1017   1HO3  MN6 108          1HO3      MN6 108   9.265  12.935   5.004
 1018   2HO3  MN6 108          2HO3      MN6 108  10.219  13.040   3.764
 1019   1HO4  MN6 108          1HO4      MN6 108   8.508  17.457   3.239
 1020   2HO4  MN6 108          2HO4      MN6 108   7.209  16.992   3.984
 1021   1HO5  MN6 108          1HO5      MN6 108   6.486  13.798   3.688
 1022   2HO5  MN6 108          2HO5      MN6 108   7.364  13.303   2.487
 1023   1HO6  MN6 108          1HO6      MN6 108  11.111  15.181   4.131
 1024   2HO6  MN6 108          2HO6      MN6 108  10.517  16.626   4.251
 1025   1HO1  MN6 109          1HO1      MN6 109   8.837   1.944   5.308
 1026   2HO1  MN6 109          2HO1      MN6 109   8.303   3.336   4.823
 1027   1HO2  MN6 109          1HO2      MN6 109  11.374   1.860   1.070
 1028   2HO2  MN6 109          2HO2      MN6 109  11.327   3.424   1.168
 1029   1HO3  MN6 109          1HO3      MN6 109  12.128   3.280   4.118
 1030   2HO3  MN6 109          2HO3      MN6 109  10.942   3.660   5.073
 1031   1HO4  MN6 109          1HO4      MN6 109   7.834   2.880   1.937
 1032   2HO4  MN6 109          2HO4      MN6 109   8.376   1.477   1.496
 1033   1HO5  MN6 109          1HO5      MN6 109   8.867   4.785   2.753
 1034   2HO5  MN6 109          2HO5      MN6 109  10.399   4.953   2.468
 1035   1HO6  MN6 109          1HO6      MN6 109   9.518   0.114   3.284
 1036   2HO6  MN6 109          2HO6      MN6 109  10.951   0.298   2.676
 1037   1HO1  MN6 110          1HO1      MN6 110   8.989 -11.690  10.056
 1038   2HO1  MN6 110          2HO1      MN6 110   9.845 -12.847  10.675
 1039   1HO2  MN6 110          1HO2      MN6 110  13.120 -11.422   7.191
 1040   2HO2  MN6 110          2HO2      MN6 110  12.663 -12.895   6.913
 1041   1HO3  MN6 110          1HO3      MN6 110  10.139 -13.518   6.961
 1042   2HO3  MN6 110          2HO3      MN6 110  10.429 -14.317   8.279
 1043   1HO4  MN6 110          1HO4      MN6 110  12.877 -11.152  10.190
 1044   2HO4  MN6 110          2HO4      MN6 110  11.843  -9.991   9.984
 1045   1HO5  MN6 110          1HO5      MN6 110  13.046 -13.580   9.136
 1046   2HO5  MN6 110          2HO5      MN6 110  12.296 -13.304  10.484
 1047   1HO6  MN6 110          1HO6      MN6 110   9.663 -11.085   6.921
 1048   2HO6  MN6 110          2HO6      MN6 110  10.405  -9.873   7.579
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  10.288 -43.271  -7.148
    2   2H5*    G   1          2H5*        G   1  10.617 -41.526  -7.160
    3    H4*    G   1           H4*        G   1  10.416 -42.135  -9.434
    4    H3*    G   1           H3*        G   1   8.018 -40.733  -8.333
    5    H2*    G   1           H2*        G   1   6.634 -41.235 -10.148
    6   2HO*    G   1          2HO*        G   1   7.902 -42.291 -12.069
    7    H1*    G   1           H1*        G   1   7.476 -43.757 -10.745
    8    H8     G   1           H8         G   1   7.539 -43.521  -6.992
    9    H1     G   1           H1         G   1   1.618 -44.257  -9.319
   10   1H2     G   1          1H2         G   1   1.635 -44.012 -11.524
   11   2H2     G   1          2H2         G   1   3.097 -43.667 -12.422
   12    H5T    G   1           H5T        G   1   8.865 -41.234  -6.082
   13   1H5*    G   2          1H5*        G   2   7.606 -39.777 -11.846
   14   2H5*    G   2          2H5*        G   2   7.743 -38.052 -12.238
   15    H4*    G   2           H4*        G   2   5.660 -38.853 -13.130
   16    H3*    G   2           H3*        G   2   5.357 -37.140 -10.659
   17    H2*    G   2           H2*        G   2   3.063 -37.517 -10.623
   18   2HO*    G   2          2HO*        G   2   2.014 -38.294 -12.653
   19    H1*    G   2           H1*        G   2   3.051 -40.034 -11.950
   20    H8     G   2           H8         G   2   5.182 -40.036  -8.822
   21    H1     G   2           H1         G   2  -1.058 -40.951  -7.692
   22   1H2     G   2          1H2         G   2  -2.227 -40.524  -9.524
   23   2H2     G   2          2H2         G   2  -1.475 -40.036 -11.027
   24   1H5*    G   3          1H5*        G   3   2.894 -36.164 -13.499
   25   2H5*    G   3          2H5*        G   3   2.791 -34.543 -14.216
   26    H4*    G   3           H4*        G   3   0.552 -35.212 -13.824
   27    H3*    G   3           H3*        G   3   1.560 -33.300 -11.722
   28    H2*    G   3           H2*        G   3  -0.388 -33.531 -10.464
   29   2HO*    G   3          2HO*        G   3  -2.261 -34.660 -11.662
   30    H1*    G   3           H1*        G   3  -1.031 -36.175 -11.144
   31    H8     G   3           H8         G   3   2.555 -35.488  -9.941
   32    H1     G   3           H1         G   3  -1.605 -36.889  -5.281
   33   1H2     G   3          1H2         G   3  -3.666 -36.987  -6.113
   34   2H2     G   3          2H2         G   3  -4.011 -36.703  -7.802
   35   1H5*    A   4          1H5*        A   4  -2.242 -32.719 -12.526
   36   2H5*    A   4          2H5*        A   4  -2.652 -31.165 -13.278
   37    H4*    A   4           H4*        A   4  -4.360 -31.533 -11.697
   38    H3*    A   4           H3*        A   4  -2.266 -29.645 -10.619
   39    H2*    A   4           H2*        A   4  -3.307 -29.589  -8.530
   40   2HO*    A   4          2HO*        A   4  -5.656 -30.609  -9.780
   41    H1*    A   4           H1*        A   4  -4.346 -32.185  -8.503
   42    H8     A   4           H8         A   4  -0.627 -31.573  -9.385
   43   1H6     A   4          1H6         A   4   0.478 -32.751  -3.424
   44   2H6     A   4          2H6         A   4   1.199 -32.424  -4.984
   45    H2     A   4           H2         A   4  -3.977 -32.717  -4.024
   46   1H5*    U   5          1H5*        U   5  -6.079 -27.825  -9.562
   47   2H5*    U   5          2H5*        U   5  -5.805 -26.077  -9.423
   48    H4*    U   5           H4*        U   5  -6.437 -27.438  -7.294
   49    H3*    U   5           H3*        U   5  -4.247 -25.373  -7.482
   50    H2*    U   5           H2*        U   5  -3.476 -25.875  -5.351
   51   2HO*    U   5          2HO*        U   5  -4.992 -25.745  -3.904
   52    H1*    U   5           H1*        U   5  -4.381 -28.563  -5.194
   53    H3     U   5           H3         U   5  -0.003 -28.889  -4.133
   54    H5     U   5           H5         U   5  -0.002 -28.016  -8.259
   55    H6     U   5           H6         U   5  -2.397 -27.651  -8.110
   56   1H5*    A   6          1H5*        A   6  -8.061 -21.257  -5.142
   57   2H5*    A   6          2H5*        A   6  -6.296 -21.100  -5.028
   58    H4*    A   6           H4*        A   6  -7.862 -23.053  -3.327
   59    H3*    A   6           H3*        A   6  -8.103 -20.260  -3.053
   60    H2*    A   6           H2*        A   6  -6.021 -19.771  -2.160
   61   2HO*    A   6          2HO*        A   6  -6.268 -19.618  -0.065
   62    H1*    A   6           H1*        A   6  -5.608 -22.474  -0.947
   63    H8     A   6           H8         A   6  -3.972 -20.883  -4.067
   64   1H6     A   6          1H6         A   6   1.140 -20.552  -0.609
   65   2H6     A   6          2H6         A   6   0.471 -20.311  -2.206
   66    H2     A   6           H2         A   6  -2.204 -22.004   2.007
   67   1H5*    U   7          1H5*        U   7 -10.537 -21.069   2.546
   68   2H5*    U   7          2H5*        U   7  -9.820 -19.664   1.731
   69    H4*    U   7           H4*        U   7  -8.571 -20.690   3.752
   70    H3*    U   7           H3*        U   7  -7.478 -19.652   1.230
   71    H2*    U   7           H2*        U   7  -5.852 -21.240   0.956
   72   2HO*    U   7          2HO*        U   7  -4.186 -21.273   2.463
   73    H1*    U   7           H1*        U   7  -6.240 -22.535   3.612
   74    H3     U   7           H3         U   7  -7.477 -26.496   0.944
   75    H5     U   7           H5         U   7  -3.755 -24.805  -0.084
   76    H6     U   7           H6         U   7  -4.358 -22.852   1.221
   77   1H5*    G   8          1H5*        G   8  -3.546 -20.805   4.061
   78   2H5*    G   8          2H5*        G   8  -3.596 -20.110   5.693
   79    H4*    G   8           H4*        G   8  -1.511 -19.389   5.216
   80    H3*    G   8           H3*        G   8  -3.280 -17.397   3.848
   81    H2*    G   8           H2*        G   8  -1.574 -16.543   2.511
   82   2HO*    G   8          2HO*        G   8  -0.188 -16.550   4.594
   83    H1*    G   8           H1*        G   8  -0.059 -18.821   2.119
   84    H8     G   8           H8         G   8  -3.772 -19.533   1.711
   85    H1     G   8           H1         G   8  -1.031 -17.135  -3.548
   86   1H2     G   8          1H2         G   8   1.029 -16.460  -3.093
   87   2H2     G   8          2H2         G   8   1.731 -16.596  -1.499
   88   1H5*    G   9          1H5*        G   9  -4.002 -13.580   4.096
   89   2H5*    G   9          2H5*        G   9  -3.680 -15.252   3.594
   90    H4*    G   9           H4*        G   9  -1.312 -13.510   3.483
   91    H3*    G   9           H3*        G   9  -3.794 -12.691   2.011
   92    H2*    G   9           H2*        G   9  -2.726 -12.613  -0.065
   93   2HO*    G   9          2HO*        G   9  -0.236 -12.813   0.068
   94    H1*    G   9           H1*        G   9  -0.962 -14.698   0.213
   95    H8     G   9           H8         G   9  -3.894 -16.328   1.609
   96    H1     G   9           H1         G   9  -4.741 -15.184  -4.635
   97   1H2     G   9          1H2         G   9  -3.215 -13.743  -5.352
   98   2H2     G   9          2H2         G   9  -1.994 -13.063  -4.301
   99   1H5*    A  10          1H5*        A  10  -1.332  -9.338   1.170
  100   2H5*    A  10          2H5*        A  10  -2.165  -7.811   1.523
  101    H4*    A  10           H4*        A  10  -1.448  -8.044  -0.861
  102    H3*    A  10           H3*        A  10  -4.351  -7.679  -0.152
  103    H2*    A  10           H2*        A  10  -5.038  -8.038  -2.336
  104   2HO*    A  10          2HO*        A  10  -4.082  -6.710  -3.658
  105    H1*    A  10           H1*        A  10  -2.860  -9.617  -3.235
  106    H8     A  10           H8         A  10  -4.474 -11.238  -0.264
  107   1H6     A  10          1H6         A  10  -8.706 -13.538  -4.133
  108   2H6     A  10          2H6         A  10  -8.069 -13.587  -2.506
  109    H2     A  10           H2         A  10  -6.281 -10.498  -6.386
  110   1H5*    A  11          1H5*        A  11  -2.439  -5.046  -3.389
  111   2H5*    A  11          2H5*        A  11  -3.200  -3.442  -3.383
  112    H4*    A  11           H4*        A  11  -2.896  -4.445  -5.667
  113    H3*    A  11           H3*        A  11  -5.617  -3.640  -4.654
  114    H2*    A  11           H2*        A  11  -6.671  -4.493  -6.573
  115   2HO*    A  11          2HO*        A  11  -5.177  -3.483  -8.043
  116    H1*    A  11           H1*        A  11  -5.117  -6.727  -6.959
  117    H8     A  11           H8         A  11  -5.840  -6.223  -3.254
  118   1H6     A  11          1H6         A  11 -11.058  -9.383  -4.238
  119   2H6     A  11          2H6         A  11 -10.001  -8.695  -3.025
  120    H2     A  11           H2         A  11  -9.199  -8.500  -8.233
  121   1H5*    G  12          1H5*        G  12  -5.683  -1.221  -8.313
  122   2H5*    G  12          2H5*        G  12  -6.327   0.357  -7.816
  123    H4*    G  12           H4*        G  12  -7.732  -0.796  -9.521
  124    H3*    G  12           H3*        G  12  -8.912  -0.186  -6.805
  125    H2*    G  12           H2*        G  12 -10.934  -1.205  -7.429
  126   2HO*    G  12          2HO*        G  12 -10.041  -0.621 -10.038
  127    H1*    G  12           H1*        G  12  -9.882  -3.229  -9.015
  128    H8     G  12           H8         G  12  -7.965  -2.941  -5.755
  129    H1     G  12           H1         G  12 -13.463  -6.172  -5.213
  130   1H2     G  12          1H2         G  12 -14.656  -5.954  -7.076
  131   2H2     G  12          2H2         G  12 -14.098  -5.017  -8.442
  132   1H5*    A  13          1H5*        A  13 -11.638   0.546  -9.081
  133   2H5*    A  13          2H5*        A  13 -12.069   2.232  -9.437
  134    H4*    A  13           H4*        A  13 -14.171   1.384  -9.127
  135    H3*    A  13           H3*        A  13 -13.196   2.177  -6.385
  136    H2*    A  13           H2*        A  13 -15.043   1.178  -5.363
  137   2HO*    A  13          2HO*        A  13 -16.342   1.127  -7.898
  138    H1*    A  13           H1*        A  13 -15.418  -0.946  -7.121
  139    H8     A  13           H8         A  13 -11.879  -0.146  -5.764
  140   1H6     A  13          1H6         A  13 -13.072  -4.467  -1.514
  141   2H6     A  13          2H6         A  13 -11.865  -3.377  -2.157
  142    H2     A  13           H2         A  13 -16.795  -3.867  -3.958
  143   1H5*    A  14          1H5*        A  14 -17.513   3.034  -7.365
  144   2H5*    A  14          2H5*        A  14 -17.848   4.691  -6.823
  145    H4*    A  14           H4*        A  14 -19.677   3.196  -6.196
  146    H3*    A  14           H3*        A  14 -18.007   4.349  -3.967
  147    H2*    A  14           H2*        A  14 -19.189   3.117  -2.352
  148   2HO*    A  14          2HO*        A  14 -21.252   2.735  -2.552
  149    H1*    A  14           H1*        A  14 -19.503   0.782  -3.756
  150    H8     A  14           H8         A  14 -16.106   2.596  -4.085
  151   1H6     A  14          1H6         A  14 -14.229  -1.073   0.513
  152   2H6     A  14          2H6         A  14 -13.740   0.129  -0.660
  153    H2     A  14           H2         A  14 -18.634  -1.750  -0.087
  154   1H5*    C  15          1H5*        C  15 -22.079   5.077  -2.531
  155   2H5*    C  15          2H5*        C  15 -22.055   6.705  -1.826
  156    H4*    C  15           H4*        C  15 -22.786   4.994  -0.201
  157    H3*    C  15           H3*        C  15 -20.178   6.424   0.357
  158    H2*    C  15           H2*        C  15 -19.895   5.156   2.301
  159   2HO*    C  15          2HO*        C  15 -22.657   4.468   2.191
  160    H1*    C  15           H1*        C  15 -21.189   2.813   1.419
  161   1H4     C  15          1H4         C  15 -15.031   1.247   1.425
  162   2H4     C  15          2H4         C  15 -14.712   2.343   0.100
  163    H5     C  15           H5         C  15 -16.390   3.779  -0.861
  164    H6     C  15           H6         C  15 -18.728   4.503  -0.737
  165   1H5*    C  16          1H5*        C  16 -22.190   6.595   3.963
  166   2H5*    C  16          2H5*        C  16 -22.059   8.207   4.696
  167    H4*    C  16           H4*        C  16 -21.176   6.546   6.229
  168    H3*    C  16           H3*        C  16 -19.118   8.353   4.951
  169    H2*    C  16           H2*        C  16 -17.392   7.203   6.017
  170   2HO*    C  16          2HO*        C  16 -19.359   6.272   7.858
  171    H1*    C  16           H1*        C  16 -18.615   4.669   6.136
  172   1H4     C  16          1H4         C  16 -14.094   3.999   1.733
  173   2H4     C  16          2H4         C  16 -14.871   5.165   0.684
  174    H5     C  16           H5         C  16 -16.881   6.353   1.292
  175    H6     C  16           H6         C  16 -18.550   6.709   3.052
  176   1H5*    G  17          1H5*        G  17 -19.480   8.496   9.810
  177   2H5*    G  17          2H5*        G  17 -18.948  10.152  10.163
  178    H4*    G  17           H4*        G  17 -18.020   8.496  11.754
  179    H3*    G  17           H3*        G  17 -16.112  10.025   9.979
  180    H2*    G  17           H2*        G  17 -14.280   8.862  10.894
  181   2HO*    G  17          2HO*        G  17 -16.013   7.855  12.921
  182    H1*    G  17           H1*        G  17 -15.440   6.379  11.058
  183    H8     G  17           H8         G  17 -16.552   8.017   7.842
  184    H1     G  17           H1         G  17 -10.680   5.499   7.481
  185   1H2     G  17          1H2         G  17  -9.982   4.907   9.507
  186   2H2     G  17          2H2         G  17 -10.961   5.134  10.939
  187   1H5*    G  18          1H5*        G  18 -13.985   9.605  13.207
  188   2H5*    G  18          2H5*        G  18 -13.753  11.180  13.992
  189    H4*    G  18           H4*        G  18 -11.611  10.153  13.921
  190    H3*    G  18           H3*        G  18 -11.919  12.245  11.759
  191    H2*    G  18           H2*        G  18  -9.809  11.723  10.919
  192   2HO*    G  18          2HO*        G  18  -8.446  10.315  12.532
  193    H1*    G  18           H1*        G  18  -9.716   9.012  11.766
  194    H8     G  18           H8         G  18 -12.729   9.699   9.607
  195    H1     G  18           H1         G  18  -7.374   8.806   6.218
  196   1H2     G  18          1H2         G  18  -5.614   8.808   7.563
  197   2H2     G  18          2H2         G  18  -5.754   9.021   9.293
  198   1H5*    G  19          1H5*        G  19  -8.065  12.289  12.871
  199   2H5*    G  19          2H5*        G  19  -7.814  13.749  13.850
  200    H4*    G  19           H4*        G  19  -5.914  13.752  12.529
  201    H3*    G  19           H3*        G  19  -8.018  15.411  11.151
  202    H2*    G  19           H2*        G  19  -6.768  15.557   9.206
  203   2HO*    G  19          2HO*        G  19  -4.537  15.262  10.937
  204    H1*    G  19           H1*        G  19  -5.199  13.204   9.515
  205    H8     G  19           H8         G  19  -9.066  13.196   9.367
  206    H1     G  19           H1         G  19  -6.128  12.062   3.794
  207   1H2     G  19          1H2         G  19  -3.934  12.268   4.036
  208   2H2     G  19          2H2         G  19  -3.193  12.684   5.565
  209   1H5*    G  20          1H5*        G  20  -7.524  19.806  10.576
  210   2H5*    G  20          2H5*        G  20  -8.516  18.990   9.351
  211    H4*    G  20           H4*        G  20  -5.529  19.267   9.522
  212    H3*    G  20           H3*        G  20  -7.656  19.897   7.530
  213    H2*    G  20           H2*        G  20  -6.528  18.981   5.689
  214   2HO*    G  20          2HO*        G  20  -4.184  18.268   6.202
  215    H1*    G  20           H1*        G  20  -5.482  16.759   6.799
  216    H8     G  20           H8         G  20  -8.565  16.781   8.757
  217    H1     G  20           H1         G  20  -9.895  15.796   2.576
  218   1H2     G  20          1H2         G  20  -8.126  16.235   1.337
  219   2H2     G  20          2H2         G  20  -6.611  16.781   2.020
  220   1H5*    A  21          1H5*        A  21  -8.656  23.787   6.581
  221   2H5*    A  21          2H5*        A  21  -9.049  22.173   5.958
  222    H4*    A  21           H4*        A  21  -9.193  24.267   4.384
  223    H3*    A  21           H3*        A  21  -8.228  21.512   3.762
  224    H2*    A  21           H2*        A  21  -7.171  22.098   1.761
  225   2HO*    A  21          2HO*        A  21  -8.117  23.433   0.448
  226    H1*    A  21           H1*        A  21  -6.208  24.572   2.389
  227    H8     A  21           H8         A  21  -5.826  22.382   5.444
  228   1H6     A  21          1H6         A  21  -0.503  20.428   3.022
  229   2H6     A  21          2H6         A  21  -1.519  20.436   4.446
  230    H2     A  21           H2         A  21  -2.651  22.805  -0.126
  231   1H5*    A  22          1H5*        A  22  -9.972  18.548   1.083
  232   2H5*    A  22          2H5*        A  22  -8.888  19.422   2.185
  233    H4*    A  22           H4*        A  22  -9.224  20.430  -0.621
  234    H3*    A  22           H3*        A  22  -7.819  17.881   0.115
  235    H2*    A  22           H2*        A  22  -5.835  18.496  -0.950
  236   2HO*    A  22          2HO*        A  22  -6.428  20.724  -2.298
  237    H1*    A  22           H1*        A  22  -5.871  21.222  -0.496
  238    H8     A  22           H8         A  22  -6.635  20.298   2.882
  239   1H6     A  22          1H6         A  22  -0.964  17.976   3.590
  240   2H6     A  22          2H6         A  22  -2.414  18.511   4.409
  241    H2     A  22           H2         A  22  -1.689  18.521  -0.812
  242   1H5*    A  23          1H5*        A  23  -6.566  17.437  -4.583
  243   2H5*    A  23          2H5*        A  23  -7.270  15.809  -4.499
  244    H4*    A  23           H4*        A  23  -4.795  15.952  -5.094
  245    H3*    A  23           H3*        A  23  -5.911  14.214  -2.913
  246    H2*    A  23           H2*        A  23  -3.785  13.620  -2.118
  247   2HO*    A  23          2HO*        A  23  -3.101  14.015  -4.739
  248    H1*    A  23           H1*        A  23  -2.499  16.007  -2.415
  249    H8     A  23           H8         A  23  -6.191  16.058  -1.255
  250   1H6     A  23          1H6         A  23  -3.908  16.323   4.478
  251   2H6     A  23          2H6         A  23  -5.369  16.371   3.509
  252    H2     A  23           H2         A  23  -0.450  15.816   1.624
  253   1H5*    C  24          1H5*        C  24  -3.426  11.871  -4.468
  254   2H5*    C  24          2H5*        C  24  -3.784  10.142  -4.656
  255    H4*    C  24           H4*        C  24  -2.066  10.624  -2.910
  256    H3*    C  24           H3*        C  24  -4.656   9.276  -2.123
  257    H2*    C  24           H2*        C  24  -3.971   9.225   0.127
  258   2HO*    C  24          2HO*        C  24  -1.430   9.335  -1.014
  259    H1*    C  24           H1*        C  24  -2.733  11.686   0.213
  260   1H4     C  24          1H4         C  24  -8.592  12.630   2.534
  261   2H4     C  24          2H4         C  24  -9.271  12.565   0.923
  262    H5     C  24           H5         C  24  -7.955  12.116  -1.046
  263    H6     C  24           H6         C  24  -5.720  11.578  -1.889
  264   1H5*    U  25          1H5*        U  25  -1.866   7.722  -0.154
  265   2H5*    U  25          2H5*        U  25  -1.647   5.962  -0.124
  266    H4*    U  25           H4*        U  25  -1.737   6.816   2.149
  267    H3*    U  25           H3*        U  25  -4.137   5.195   1.278
  268    H2*    U  25           H2*        U  25  -5.155   5.550   3.355
  269   2HO*    U  25          2HO*        U  25  -2.564   6.214   4.343
  270    H1*    U  25           H1*        U  25  -4.088   8.098   3.881
  271    H3     U  25           H3         U  25  -8.562   8.812   3.906
  272    H5     U  25           H5         U  25  -7.635   8.194  -0.159
  273    H6     U  25           H6         U  25  -5.382   7.605   0.512
  274   1H5*    U  26          1H5*        U  26  -3.077   4.383   4.779
  275   2H5*    U  26          2H5*        U  26  -2.336   2.824   5.191
  276    H4*    U  26           H4*        U  26  -3.691   3.075   7.019
  277    H3*    U  26           H3*        U  26  -5.447   1.788   4.920
  278    H2*    U  26           H2*        U  26  -7.290   1.949   6.359
  279   2HO*    U  26          2HO*        U  26  -6.550   2.767   8.679
  280    H1*    U  26           H1*        U  26  -6.645   4.379   7.547
  281    H3     U  26           H3         U  26 -10.334   5.680   5.325
  282    H5     U  26           H5         U  26  -7.742   4.451   2.242
  283    H6     U  26           H6         U  26  -6.162   3.741   3.939
  284   1H5*    G  27          1H5*        G  27  -6.100   0.025   8.566
  285   2H5*    G  27          2H5*        G  27  -6.699  -1.643   8.499
  286    H4*    G  27           H4*        G  27  -8.296   0.031   9.505
  287    H3*    G  27           H3*        G  27  -9.151  -1.540   7.053
  288    H2*    G  27           H2*        G  27 -11.219  -0.449   7.146
  289   2HO*    G  27          2HO*        G  27 -11.263   0.805   9.493
  290    H1*    G  27           H1*        G  27 -10.271   1.948   8.342
  291    H8     G  27           H8         G  27  -8.651   0.903   5.027
  292    H1     G  27           H1         G  27 -14.019   4.337   4.411
  293   1H2     G  27          1H2         G  27 -14.985   4.588   6.398
  294   2H2     G  27          2H2         G  27 -14.304   3.913   7.862
  295   1H5*    G  28          1H5*        G  28 -11.941  -3.163  10.389
  296   2H5*    G  28          2H5*        G  28 -12.072  -4.893  10.016
  297    H4*    G  28           H4*        G  28 -14.290  -3.886  10.210
  298    H3*    G  28           H3*        G  28 -13.468  -4.787   7.443
  299    H2*    G  28           H2*        G  28 -15.511  -4.023   6.570
  300   2HO*    G  28          2HO*        G  28 -17.328  -3.719   7.800
  301    H1*    G  28           H1*        G  28 -15.786  -1.760   8.136
  302    H8     G  28           H8         G  28 -12.255  -2.352   6.753
  303    H1     G  28           H1         G  28 -16.131   0.831   2.774
  304   1H2     G  28          1H2         G  28 -18.192   0.883   3.609
  305   2H2     G  28          2H2         G  28 -18.615   0.115   5.122
  306   1H5*    U  29          1H5*        U  29 -17.406  -6.742   7.904
  307   2H5*    U  29          2H5*        U  29 -17.147  -8.407   7.346
  308    H4*    U  29           H4*        U  29 -19.007  -7.347   6.143
  309    H3*    U  29           H3*        U  29 -16.526  -7.957   4.522
  310    H2*    U  29           H2*        U  29 -17.540  -7.047   2.623
  311   2HO*    U  29          2HO*        U  29 -19.792  -8.049   3.807
  312    H1*    U  29           H1*        U  29 -19.114  -5.108   3.926
  313    H3     U  29           H3         U  29 -16.566  -2.616   1.134
  314    H5     U  29           H5         U  29 -13.830  -4.051   4.004
  315    H6     U  29           H6         U  29 -15.612  -5.420   4.921
  316   1H5*    U  30          1H5*        U  30 -20.297  -9.505   2.756
  317   2H5*    U  30          2H5*        U  30 -19.995 -11.055   1.947
  318    H4*    U  30           H4*        U  30 -21.225  -9.454   0.511
  319    H3*    U  30           H3*        U  30 -18.461 -10.320  -0.363
  320    H2*    U  30           H2*        U  30 -18.652  -8.972  -2.284
  321   2HO*    U  30          2HO*        U  30 -20.506  -9.060  -3.265
  322    H1*    U  30           H1*        U  30 -19.992  -6.851  -1.118
  323    H3     U  30           H3         U  30 -15.988  -4.988  -2.067
  324    H5     U  30           H5         U  30 -15.135  -7.649   1.090
  325    H6     U  30           H6         U  30 -17.420  -8.451   0.943
  326   1H5*    C  31          1H5*        C  31 -20.788 -10.745  -3.806
  327   2H5*    C  31          2H5*        C  31 -20.213 -12.119  -4.770
  328    H4*    C  31           H4*        C  31 -20.032  -9.880  -5.907
  329    H3*    C  31           H3*        C  31 -17.547 -11.552  -5.458
  330    H2*    C  31           H2*        C  31 -16.255  -9.886  -6.457
  331   2HO*    C  31          2HO*        C  31 -17.645  -8.157  -7.666
  332    H1*    C  31           H1*        C  31 -17.883  -7.679  -5.746
  333   1H4     C  31          1H4         C  31 -12.575  -7.006  -2.312
  334   2H4     C  31          2H4         C  31 -13.045  -8.333  -1.273
  335    H5     C  31           H5         C  31 -15.018  -9.664  -1.643
  336    H6     C  31           H6         C  31 -16.947 -10.035  -3.109
  337   1H5*    U  32          1H5*        U  32 -17.740 -11.062  -9.998
  338   2H5*    U  32          2H5*        U  32 -17.393 -12.697 -10.598
  339    H4*    U  32           H4*        U  32 -15.929 -11.079 -11.682
  340    H3*    U  32           H3*        U  32 -14.642 -13.020  -9.768
  341    H2*    U  32           H2*        U  32 -12.548 -11.992 -10.019
  342   2HO*    U  32          2HO*        U  32 -13.643 -10.812 -12.367
  343    H1*    U  32           H1*        U  32 -13.377  -9.371 -10.178
  344    H3     U  32           H3         U  32 -11.372  -9.369  -6.145
  345    H5     U  32           H5         U  32 -14.789 -11.754  -5.540
  346    H6     U  32           H6         U  32 -15.253 -11.575  -7.915
  347   1H5*    U  33          1H5*        U  33 -12.554 -12.368 -13.289
  348   2H5*    U  33          2H5*        U  33 -11.686 -13.738 -14.010
  349    H4*    U  33           H4*        U  33 -10.269 -11.704 -13.587
  350    H3*    U  33           H3*        U  33  -9.586 -14.376 -12.374
  351    H2*    U  33           H2*        U  33  -7.876 -13.467 -11.100
  352   2HO*    U  33          2HO*        U  33  -6.481 -12.193 -12.013
  353    H1*    U  33           H1*        U  33  -8.838 -10.804 -10.910
  354    H3     U  33           H3         U  33  -8.216 -11.815  -6.552
  355    H5     U  33           H5         U  33 -11.373 -14.344  -7.733
  356    H6     U  33           H6         U  33 -11.043 -13.586 -10.014
  357   1H5*    C  34          1H5*        C  34  -4.614 -15.181 -13.554
  358   2H5*    C  34          2H5*        C  34  -5.774 -15.288 -12.215
  359    H4*    C  34           H4*        C  34  -4.018 -12.860 -12.646
  360    H3*    C  34           H3*        C  34  -3.312 -15.456 -11.311
  361    H2*    C  34           H2*        C  34  -2.580 -14.422  -9.363
  362   2HO*    C  34          2HO*        C  34  -1.154 -13.006 -10.561
  363    H1*    C  34           H1*        C  34  -4.217 -12.157  -9.375
  364   1H4     C  34          1H4         C  34  -6.458 -16.146  -4.904
  365   2H4     C  34          2H4         C  34  -7.606 -16.749  -6.079
  366    H5     C  34           H5         C  34  -7.570 -16.118  -8.402
  367    H6     C  34           H6         C  34  -6.426 -14.778 -10.103
  368   1H5*    C  35          1H5*        C  35   1.608 -16.377 -11.718
  369   2H5*    C  35          2H5*        C  35   0.461 -17.072 -10.555
  370    H4*    C  35           H4*        C  35   2.705 -15.124 -10.101
  371    H3*    C  35           H3*        C  35   1.916 -17.797  -9.062
  372    H2*    C  35           H2*        C  35   2.117 -17.280  -6.808
  373   2HO*    C  35          2HO*        C  35   3.491 -15.659  -6.049
  374    H1*    C  35           H1*        C  35   1.455 -14.614  -6.776
  375   1H4     C  35          1H4         C  35  -3.767 -17.911  -5.059
  376   2H4     C  35          2H4         C  35  -4.361 -17.712  -6.691
  377    H5     C  35           H5         C  35  -3.049 -16.767  -8.468
  378    H6     C  35           H6         C  35  -0.881 -15.800  -9.073
  379   1H5*    U  36          1H5*        U  36   6.242 -19.576  -8.888
  380   2H5*    U  36          2H5*        U  36   5.412 -21.125  -8.639
  381    H4*    U  36           H4*        U  36   6.156 -19.148  -6.700
  382    H3*    U  36           H3*        U  36   4.931 -21.890  -6.645
  383    H2*    U  36           H2*        U  36   3.862 -21.538  -4.630
  384   2HO*    U  36          2HO*        U  36   4.874 -19.573  -3.347
  385    H1*    U  36           H1*        U  36   3.725 -18.699  -4.658
  386    H3     U  36           H3         U  36  -0.346 -20.774  -3.710
  387    H5     U  36           H5         U  36  -0.184 -20.078  -7.866
  388    H6     U  36           H6         U  36   2.169 -19.538  -7.616
  389   1H5*    A  37          1H5*        A  37   6.257 -25.544  -5.968
  390   2H5*    A  37          2H5*        A  37   5.214 -24.120  -6.148
  391    H4*    A  37           H4*        A  37   5.994 -24.545  -3.368
  392    H3*    A  37           H3*        A  37   5.580 -27.011  -4.546
  393    H2*    A  37           H2*        A  37   3.362 -26.755  -5.243
  394   2HO*    A  37          2HO*        A  37   3.520 -28.122  -3.153
  395    H1*    A  37           H1*        A  37   2.558 -25.021  -2.948
  396    H8     A  37           H8         A  37   3.111 -24.290  -6.724
  397   1H6     A  37          1H6         A  37  -2.990 -23.329  -6.899
  398   2H6     A  37          2H6         A  37  -1.502 -23.291  -7.818
  399    H2     A  37           H2         A  37  -1.920 -24.674  -2.747
  400   1H5*    A  38          1H5*        A  38   7.322 -27.178   0.140
  401   2H5*    A  38          2H5*        A  38   7.277 -28.930   0.424
  402    H4*    A  38           H4*        A  38   7.001 -27.787   2.535
  403    H3*    A  38           H3*        A  38   4.663 -29.290   1.450
  404    H2*    A  38           H2*        A  38   3.102 -28.357   2.896
  405   2HO*    A  38          2HO*        A  38   5.137 -28.576   4.620
  406    H1*    A  38           H1*        A  38   4.179 -25.846   3.309
  407    H8     A  38           H8         A  38   4.429 -26.019  -0.328
  408   1H6     A  38          1H6         A  38  -1.680 -25.193  -0.715
  409   2H6     A  38          2H6         A  38  -0.169 -25.184  -1.596
  410    H2     A  38           H2         A  38  -0.691 -26.217   3.550
  411   1H5*    G  39          1H5*        G  39   3.331 -32.858   4.986
  412   2H5*    G  39          2H5*        G  39   2.777 -32.633   3.315
  413    H4*    G  39           H4*        G  39   1.559 -31.721   5.885
  414    H3*    G  39           H3*        G  39   0.654 -33.098   3.414
  415    H2*    G  39           H2*        G  39  -1.225 -31.790   3.024
  416   2HO*    G  39          2HO*        G  39  -1.392 -30.432   5.405
  417    H1*    G  39           H1*        G  39  -0.437 -29.348   3.951
  418    H8     G  39           H8         G  39   2.634 -30.440   2.228
  419    H1     G  39           H1         G  39  -1.981 -28.988  -1.963
  420   1H2     G  39          1H2         G  39  -3.932 -28.810  -0.917
  421   2H2     G  39          2H2         G  39  -4.100 -29.054   0.807
  422   1H5*    U  40          1H5*        U  40  -2.872 -33.449   5.072
  423   2H5*    U  40          2H5*        U  40  -3.233 -35.130   5.514
  424    H4*    U  40           H4*        U  40  -5.038 -34.441   4.152
  425    H3*    U  40           H3*        U  40  -3.051 -36.146   2.671
  426    H2*    U  40           H2*        U  40  -4.095 -35.782   0.612
  427   2HO*    U  40          2HO*        U  40  -6.328 -34.602   0.868
  428    H1*    U  40           H1*        U  40  -4.945 -33.178   0.976
  429    H3     U  40           H3         U  40  -1.857 -32.830  -2.319
  430    H5     U  40           H5         U  40   0.424 -33.464   1.168
  431    H6     U  40           H6         U  40  -1.648 -33.846   2.373
  432   1H5*    C  41          1H5*        C  41  -6.756 -36.983   1.472
  433   2H5*    C  41          2H5*        C  41  -7.247 -38.687   1.372
  434    H4*    C  41           H4*        C  41  -7.682 -37.546  -0.744
  435    H3*    C  41           H3*        C  41  -5.510 -39.641  -0.742
  436    H2*    C  41           H2*        C  41  -4.980 -39.182  -2.962
  437   2HO*    C  41          2HO*        C  41  -7.681 -38.619  -3.093
  438    H1*    C  41           H1*        C  41  -5.679 -36.457  -3.004
  439   1H4     C  41          1H4         C  41   0.671 -36.485  -3.211
  440   2H4     C  41          2H4         C  41   0.762 -37.053  -1.558
  441    H5     C  41           H5         C  41  -1.183 -37.608  -0.243
  442    H6     C  41           H6         C  41  -3.631 -37.750  -0.237
  443   1H5*    C  42          1H5*        C  42  -8.452 -40.139  -3.946
  444   2H5*    C  42          2H5*        C  42  -9.079 -41.800  -3.957
  445    H4*    C  42           H4*        C  42  -8.704 -41.185  -6.232
  446    H3*    C  42           H3*        C  42  -6.606 -43.051  -5.131
  447    H2*    C  42           H2*        C  42  -5.371 -42.941  -7.123
  448   2HO*    C  42          2HO*        C  42  -7.054 -41.485  -8.701
  449    H1*    C  42           H1*        C  42  -5.784 -40.285  -7.727
  450   1H4     C  42          1H4         C  42  -0.136 -40.379  -4.792
  451   2H4     C  42          2H4         C  42  -0.916 -40.594  -3.242
  452    H5     C  42           H5         C  42  -3.290 -40.869  -2.987
  453    H6     C  42           H6         C  42  -5.437 -41.007  -4.161
  454   1H5*    U  43          1H5*        U  43  -6.973 -43.795  -8.977
  455   2H5*    U  43          2H5*        U  43  -7.330 -45.497  -9.335
  456    H4*    U  43           H4*        U  43  -5.412 -44.708 -10.642
  457    H3*    U  43           H3*        U  43  -4.925 -46.803  -8.544
  458    H2*    U  43           H2*        U  43  -2.651 -46.573  -8.664
  459   2HO*    U  43          2HO*        U  43  -2.174 -45.646 -11.135
  460    H1*    U  43           H1*        U  43  -2.627 -44.073 -10.178
  461    H3     U  43           H3         U  43   0.893 -43.315  -7.486
  462    H5     U  43           H5         U  43  -2.336 -43.713  -4.803
  463    H6     U  43           H6         U  43  -3.732 -44.331  -6.691
  464    H3T    U  43           H3T        U  43  -5.852 -47.580 -10.354
  465   1H5*    G  44          1H5*        G  44  -7.039  43.682  -6.386
  466   2H5*    G  44          2H5*        G  44  -7.483  42.016  -6.810
  467    H4*    G  44           H4*        G  44  -6.435  42.813  -8.744
  468    H3*    G  44           H3*        G  44  -4.586  41.158  -7.068
  469    H2*    G  44           H2*        G  44  -2.671  41.763  -8.258
  470   2HO*    G  44          2HO*        G  44  -4.513  42.244 -10.327
  471    H1*    G  44           H1*        G  44  -3.246  44.375  -8.834
  472    H8     G  44           H8         G  44  -4.409  43.671  -5.304
  473    H1     G  44           H1         G  44   1.912  44.608  -5.729
  474   1H2     G  44          1H2         G  44   2.527  44.672  -7.861
  475   2H2     G  44          2H2         G  44   1.389  44.478  -9.175
  476    H5T    G  44           H5T        G  44  -6.503  42.173  -4.751
  477   1H5*    G  45          1H5*        G  45  -3.071  40.640 -10.437
  478   2H5*    G  45          2H5*        G  45  -3.171  38.994 -11.093
  479    H4*    G  45           H4*        G  45  -0.892  39.708 -11.288
  480    H3*    G  45           H3*        G  45  -1.359  37.724  -9.064
  481    H2*    G  45           H2*        G  45   0.840  37.919  -8.338
  482   2HO*    G  45          2HO*        G  45   2.425  38.905  -9.933
  483    H1*    G  45           H1*        G  45   1.347  40.556  -9.266
  484    H8     G  45           H8         G  45  -1.628  40.260  -6.919
  485    H1     G  45           H1         G  45   4.006  40.894  -3.934
  486   1H2     G  45          1H2         G  45   5.660  40.662  -5.386
  487   2H2     G  45          2H2         G  45   5.382  40.375  -7.089
  488   1H5*    G  46          1H5*        G  46   2.059  36.989 -11.001
  489   2H5*    G  46          2H5*        G  46   2.193  35.390 -11.762
  490    H4*    G  46           H4*        G  46   4.272  35.809 -10.670
  491    H3*    G  46           H3*        G  46   2.514  33.876  -9.160
  492    H2*    G  46           H2*        G  46   4.035  33.781  -7.396
  493   2HO*    G  46          2HO*        G  46   6.213  35.027  -8.432
  494    H1*    G  46           H1*        G  46   5.099  36.379  -7.627
  495    H8     G  46           H8         G  46   1.276  35.970  -7.414
  496    H1     G  46           H1         G  46   4.224  36.667  -1.773
  497   1H2     G  46          1H2         G  46   6.430  36.640  -2.068
  498   2H2     G  46          2H2         G  46   7.163  36.448  -3.644
  499   1H5*    A  47          1H5*        A  47   6.568  32.728  -9.237
  500   2H5*    A  47          2H5*        A  47   6.794  31.016  -9.651
  501    H4*    A  47           H4*        A  47   8.089  31.644  -7.654
  502    H3*    A  47           H3*        A  47   5.833  29.667  -7.310
  503    H2*    A  47           H2*        A  47   6.161  29.605  -5.004
  504   2HO*    A  47          2HO*        A  47   8.282  30.563  -4.198
  505    H1*    A  47           H1*        A  47   7.143  32.223  -4.652
  506    H8     A  47           H8         A  47   3.810  31.731  -6.521
  507   1H6     A  47          1H6         A  47   1.122  32.565  -1.025
  508   2H6     A  47          2H6         A  47   0.855  32.370  -2.743
  509    H2     A  47           H2         A  47   5.567  32.390  -0.376
  510   1H5*    U  48          1H5*        U  48   9.206  27.820  -5.334
  511   2H5*    U  48          2H5*        U  48   9.015  26.056  -5.404
  512    H4*    U  48           H4*        U  48   8.946  27.174  -3.087
  513    H3*    U  48           H3*        U  48   6.890  25.213  -4.097
  514    H2*    U  48           H2*        U  48   5.524  25.552  -2.255
  515   2HO*    U  48          2HO*        U  48   6.516  26.499  -0.270
  516    H1*    U  48           H1*        U  48   6.361  28.182  -1.582
  517    H3     U  48           H3         U  48   1.876  28.615  -1.853
  518    H5     U  48           H5         U  48   3.086  28.014  -5.848
  519    H6     U  48           H6         U  48   5.328  27.576  -5.027
  520   1H5*    A  49          1H5*        A  49   7.827  22.873  -1.271
  521   2H5*    A  49          2H5*        A  49   6.764  24.159  -0.664
  522    H4*    A  49           H4*        A  49   7.854  23.203   1.663
  523    H3*    A  49           H3*        A  49   8.583  21.151  -0.050
  524    H2*    A  49           H2*        A  49   6.413  20.528  -0.729
  525   2HO*    A  49          2HO*        A  49   5.720  18.783   0.618
  526    H1*    A  49           H1*        A  49   5.347  21.003   2.054
  527    H8     A  49           H8         A  49   4.642  21.193  -1.746
  528   1H6     A  49          1H6         A  49  -1.304  21.565  -0.102
  529   2H6     A  49          2H6         A  49  -0.194  21.424  -1.445
  530    H2     A  49           H2         A  49   1.174  21.728   3.636
  531   1H5*    U  50          1H5*        U  50   8.879  23.465   4.746
  532   2H5*    U  50          2H5*        U  50   9.751  22.448   5.909
  533    H4*    U  50           H4*        U  50   7.962  22.575   7.243
  534    H3*    U  50           H3*        U  50   7.297  20.461   5.588
  535    H2*    U  50           H2*        U  50   5.865  21.574   4.107
  536   2HO*    U  50          2HO*        U  50   3.761  21.283   4.763
  537    H1*    U  50           H1*        U  50   4.784  23.431   6.195
  538    H3     U  50           H3         U  50   5.874  26.980   2.970
  539    H5     U  50           H5         U  50   3.509  23.884   1.363
  540    H6     U  50           H6         U  50   4.012  22.565   3.335
  541   1H5*    G  51          1H5*        G  51   4.066  17.252   7.056
  542   2H5*    G  51          2H5*        G  51   4.593  17.659   5.413
  543    H4*    G  51           H4*        G  51   1.897  18.371   6.618
  544    H3*    G  51           H3*        G  51   2.791  15.990   5.060
  545    H2*    G  51           H2*        G  51   1.204  16.202   3.377
  546   2HO*    G  51          2HO*        G  51  -0.286  17.487   5.395
  547    H1*    G  51           H1*        G  51   0.865  18.938   3.282
  548    H8     G  51           H8         G  51   4.540  18.568   3.426
  549    H1     G  51           H1         G  51   2.245  16.933  -2.316
  550   1H2     G  51          1H2         G  51   0.048  16.707  -2.226
  551   2H2     G  51          2H2         G  51  -0.864  16.956  -0.754
  552   1H5*    G  52          1H5*        G  52   0.861  12.099   5.452
  553   2H5*    G  52          2H5*        G  52   2.353  12.255   4.502
  554    H4*    G  52           H4*        G  52  -0.474  12.140   3.622
  555    H3*    G  52           H3*        G  52   2.196  11.244   2.584
  556    H2*    G  52           H2*        G  52   1.607  11.590   0.346
  557   2HO*    G  52          2HO*        G  52  -0.353  11.234  -0.365
  558    H1*    G  52           H1*        G  52   0.126  13.866   0.588
  559    H8     G  52           H8         G  52   2.761  14.714   2.965
  560    H1     G  52           H1         G  52   5.099  14.520  -2.991
  561   1H2     G  52          1H2         G  52   3.653  13.504  -4.342
  562   2H2     G  52          2H2         G  52   2.123  12.873  -3.778
  563   1H5*    A  53          1H5*        A  53  -0.050   8.088   1.012
  564   2H5*    A  53          2H5*        A  53   0.559   6.486   1.470
  565    H4*    A  53           H4*        A  53   0.710   6.853  -0.958
  566    H3*    A  53           H3*        A  53   3.261   6.532   0.612
  567    H2*    A  53           H2*        A  53   4.576   7.025  -1.238
  568   2HO*    A  53          2HO*        A  53   3.361   6.905  -3.422
  569    H1*    A  53           H1*        A  53   2.766   8.670  -2.647
  570    H8     A  53           H8         A  53   3.265   9.934   0.867
  571   1H6     A  53          1H6         A  53   8.325  12.814  -1.202
  572   2H6     A  53          2H6         A  53   7.221  12.636   0.144
  573    H2     A  53           H2         A  53   6.886  10.052  -4.440
  574   1H5*    A  54          1H5*        A  54   2.896   4.032  -3.346
  575   2H5*    A  54          2H5*        A  54   3.780   2.530  -3.011
  576    H4*    A  54           H4*        A  54   4.341   3.706  -5.198
  577    H3*    A  54           H3*        A  54   6.421   2.919  -3.166
  578    H2*    A  54           H2*        A  54   8.129   3.962  -4.398
  579   2HO*    A  54          2HO*        A  54   7.176   4.819  -6.640
  580    H1*    A  54           H1*        A  54   6.752   6.172  -5.253
  581    H8     A  54           H8         A  54   5.860   5.298  -1.642
  582   1H6     A  54          1H6         A  54  10.691   8.790  -0.015
  583   2H6     A  54          2H6         A  54   9.289   7.917   0.563
  584    H2     A  54           H2         A  54  10.787   8.291  -4.479
  585   1H5*    G  55          1H5*        G  55   8.041   1.197  -6.539
  586   2H5*    G  55          2H5*        G  55   8.592  -0.471  -6.287
  587    H4*    G  55           H4*        G  55  10.483   0.892  -6.928
  588    H3*    G  55           H3*        G  55  10.482   0.090  -4.008
  589    H2*    G  55           H2*        G  55  12.487   1.271  -3.694
  590   2HO*    G  55          2HO*        G  55  12.827   0.723  -6.426
  591    H1*    G  55           H1*        G  55  12.016   3.297  -5.579
  592    H8     G  55           H8         G  55   9.201   2.646  -3.063
  593    H1     G  55           H1         G  55  13.780   6.561  -0.923
  594   1H2     G  55          1H2         G  55  15.471   6.614  -2.360
  595   2H2     G  55          2H2         G  55  15.473   5.682  -3.839
  596   1H5*    A  56          1H5*        A  56  14.157  -0.690  -5.873
  597   2H5*    A  56          2H5*        A  56  14.851  -2.273  -5.475
  598    H4*    A  56           H4*        A  56  16.522  -0.525  -5.189
  599    H3*    A  56           H3*        A  56  15.535  -1.812  -2.633
  600    H2*    A  56           H2*        A  56  16.974  -0.429  -1.391
  601   2HO*    A  56          2HO*        A  56  18.605   0.861  -2.625
  602    H1*    A  56           H1*        A  56  16.749   1.852  -2.966
  603    H8     A  56           H8         A  56  13.457   0.042  -2.158
  604   1H6     A  56          1H6         A  56  13.137   3.749   2.768
  605   2H6     A  56          2H6         A  56  12.296   2.549   1.815
  606    H2     A  56           H2         A  56  17.142   4.380   0.822
  607   1H5*    A  57          1H5*        A  57  19.273  -1.981  -2.179
  608   2H5*    A  57          2H5*        A  57  20.069  -3.538  -1.874
  609    H4*    A  57           H4*        A  57  20.726  -2.245  -0.046
  610    H3*    A  57           H3*        A  57  18.270  -3.823   0.754
  611    H2*    A  57           H2*        A  57  18.251  -2.752   2.821
  612   2HO*    A  57          2HO*        A  57  20.559  -1.502   3.078
  613    H1*    A  57           H1*        A  57  19.492  -0.331   2.005
  614    H8     A  57           H8         A  57  16.259  -1.605   0.311
  615   1H6     A  57          1H6         A  57  13.277   1.943   4.395
  616   2H6     A  57          2H6         A  57  13.105   0.896   3.005
  617    H2     A  57           H2         A  57  17.662   2.080   5.385
  618   1H5*    C  58          1H5*        C  58  21.676  -4.455   3.823
  619   2H5*    C  58          2H5*        C  58  21.502  -6.149   4.320
  620    H4*    C  58           H4*        C  58  21.672  -4.662   6.266
  621    H3*    C  58           H3*        C  58  19.005  -6.034   5.853
  622    H2*    C  58           H2*        C  58  18.164  -4.966   7.767
  623   2HO*    C  58          2HO*        C  58  19.684  -3.908   9.258
  624    H1*    C  58           H1*        C  58  19.587  -2.564   7.518
  625   1H4     C  58          1H4         C  58  13.695  -1.102   5.588
  626   2H4     C  58          2H4         C  58  13.894  -2.075   4.151
  627    H5     C  58           H5         C  58  15.855  -3.385   3.701
  628    H6     C  58           H6         C  58  18.055  -4.070   4.537
  629   1H5*    C  59          1H5*        C  59  19.901  -6.545   9.818
  630   2H5*    C  59          2H5*        C  59  19.361  -8.112  10.455
  631    H4*    C  59           H4*        C  59  18.274  -6.154  11.560
  632    H3*    C  59           H3*        C  59  16.549  -8.125  10.045
  633    H2*    C  59           H2*        C  59  14.654  -6.869  10.568
  634   2HO*    C  59          2HO*        C  59  14.429  -6.230  12.550
  635    H1*    C  59           H1*        C  59  15.906  -4.339  10.677
  636   1H4     C  59          1H4         C  59  12.292  -4.227   5.445
  637   2H4     C  59          2H4         C  59  13.387  -5.320   4.625
  638    H5     C  59           H5         C  59  15.317  -6.303   5.690
  639    H6     C  59           H6         C  59  16.587  -6.481   7.780
  640   1H5*    G  60          1H5*        G  60  15.468  -8.061  14.672
  641   2H5*    G  60          2H5*        G  60  15.018  -9.746  15.002
  642    H4*    G  60           H4*        G  60  13.413  -8.141  15.978
  643    H3*    G  60           H3*        G  60  12.415  -9.971  13.785
  644    H2*    G  60           H2*        G  60  10.288  -8.997  13.930
  645   2HO*    G  60          2HO*        G  60  10.156  -7.393  15.922
  646    H1*    G  60           H1*        G  60  11.097  -6.393  14.512
  647    H8     G  60           H8         G  60  13.079  -7.909  11.650
  648    H1     G  60           H1         G  60   7.427  -5.509   9.845
  649   1H2     G  60          1H2         G  60   6.219  -4.981  11.631
  650   2H2     G  60          2H2         G  60   6.804  -5.217  13.263
  651   1H5*    G  61          1H5*        G  61   9.253  -9.673  15.929
  652   2H5*    G  61          2H5*        G  61   9.086 -11.150  16.897
  653    H4*    G  61           H4*        G  61   6.922 -10.910  16.161
  654    H3*    G  61           H3*        G  61   8.343 -12.527  14.041
  655    H2*    G  61           H2*        G  61   6.489 -12.403  12.641
  656   2HO*    G  61          2HO*        G  61   4.526 -11.514  14.268
  657    H1*    G  61           H1*        G  61   5.413  -9.960  13.617
  658    H8     G  61           H8         G  61   9.009  -9.807  12.351
  659    H1     G  61           H1         G  61   4.612  -9.093   7.758
  660   1H2     G  61          1H2         G  61   2.588  -9.511   8.568
  661   2H2     G  61          2H2         G  61   2.321  -9.968  10.236
  662   1H5*    G  62          1H5*        G  62   4.396 -13.727  14.351
  663   2H5*    G  62          2H5*        G  62   4.330 -15.440  14.814
  664    H4*    G  62           H4*        G  62   2.751 -15.094  13.036
  665    H3*    G  62           H3*        G  62   5.252 -16.561  12.201
  666    H2*    G  62           H2*        G  62   4.604 -16.537   9.971
  667   2HO*    G  62          2HO*        G  62   1.942 -16.299  10.951
  668    H1*    G  62           H1*        G  62   2.967 -14.215  10.034
  669    H8     G  62           H8         G  62   6.670 -14.081  11.118
  670    H1     G  62           H1         G  62   5.624 -12.721   4.951
  671   1H2     G  62          1H2         G  62   3.485 -13.041   4.455
  672   2H2     G  62          2H2         G  62   2.318 -13.587   5.639
  673   1H5*    G  63          1H5*        G  63   4.520 -20.691  10.314
  674   2H5*    G  63          2H5*        G  63   6.054 -19.929   9.845
  675    H4*    G  63           H4*        G  63   3.312 -19.607   8.646
  676    H3*    G  63           H3*        G  63   6.047 -20.340   7.646
  677    H2*    G  63           H2*        G  63   5.808 -19.102   5.669
  678   2HO*    G  63          2HO*        G  63   3.778 -19.863   5.051
  679    H1*    G  63           H1*        G  63   4.460 -16.935   6.641
  680    H8     G  63           H8         G  63   6.822 -17.409   9.401
  681    H1     G  63           H1         G  63   9.893 -15.644   4.066
  682   1H2     G  63          1H2         G  63   8.545 -15.802   2.331
  683   2H2     G  63          2H2         G  63   6.896 -16.366   2.472
  684   1H5*    A  64          1H5*        A  64   6.950 -24.337   6.680
  685   2H5*    A  64          2H5*        A  64   7.727 -22.792   6.278
  686    H4*    A  64           H4*        A  64   8.115 -24.904   4.767
  687    H3*    A  64           H3*        A  64   7.827 -22.048   3.992
  688    H2*    A  64           H2*        A  64   7.306 -22.431   1.758
  689   2HO*    A  64          2HO*        A  64   7.799 -24.609   0.844
  690    H1*    A  64           H1*        A  64   5.960 -24.818   1.892
  691    H8     A  64           H8         A  64   4.907 -22.475   4.709
  692   1H6     A  64          1H6         A  64   0.697 -20.249   0.785
  693   2H6     A  64          2H6         A  64   1.268 -20.248   2.439
  694    H2     A  64           H2         A  64   3.407 -22.989  -1.523
  695   1H5*    A  65          1H5*        A  65  10.903 -20.388   1.061
  696   2H5*    A  65          2H5*        A  65   9.847 -19.212   1.868
  697    H4*    A  65           H4*        A  65   9.561 -20.535  -0.733
  698    H3*    A  65           H3*        A  65   8.575 -18.019   0.572
  699    H2*    A  65           H2*        A  65   6.562 -18.004  -0.596
  700   2HO*    A  65          2HO*        A  65   8.087 -19.341  -2.514
  701    H1*    A  65           H1*        A  65   6.116 -20.721  -0.859
  702    H8     A  65           H8         A  65   7.031 -20.469   2.697
  703   1H6     A  65          1H6         A  65   1.402 -18.202   3.835
  704   2H6     A  65          2H6         A  65   2.852 -18.873   4.546
  705    H2     A  65           H2         A  65   2.071 -18.083  -0.609
  706   1H5*    A  66          1H5*        A  66   8.800 -15.018  -3.885
  707   2H5*    A  66          2H5*        A  66   8.478 -14.150  -2.371
  708    H4*    A  66           H4*        A  66   6.705 -14.669  -4.563
  709    H3*    A  66           H3*        A  66   6.599 -13.100  -2.008
  710    H2*    A  66           H2*        A  66   4.257 -13.191  -1.864
  711   2HO*    A  66          2HO*        A  66   3.221 -14.243  -3.926
  712    H1*    A  66           H1*        A  66   3.830 -15.734  -2.696
  713    H8     A  66           H8         A  66   7.060 -15.500  -0.676
  714   1H6     A  66          1H6         A  66   3.570 -16.418   4.334
  715   2H6     A  66          2H6         A  66   5.209 -16.309   3.723
  716    H2     A  66           H2         A  66   0.817 -15.826   0.810
  717   1H5*    C  67          1H5*        C  67   4.074 -11.417  -3.794
  718   2H5*    C  67          2H5*        C  67   3.830  -9.659  -3.753
  719    H4*    C  67           H4*        C  67   2.112 -10.882  -2.458
  720    H3*    C  67           H3*        C  67   3.985  -9.049  -0.945
  721    H2*    C  67           H2*        C  67   2.900  -9.595   1.062
  722   2HO*    C  67          2HO*        C  67   0.793 -11.001  -0.128
  723    H1*    C  67           H1*        C  67   2.344 -12.265   0.470
  724   1H4     C  67          1H4         C  67   7.368 -12.361   4.380
  725   2H4     C  67          2H4         C  67   8.423 -11.858   3.078
  726    H5     C  67           H5         C  67   7.627 -11.313   0.870
  727    H6     C  67           H6         C  67   5.647 -11.111  -0.558
  728   1H5*    U  68          1H5*        U  68   0.606  -8.426   0.543
  729   2H5*    U  68          2H5*        U  68  -0.066  -6.784   0.488
  730    H4*    U  68           H4*        U  68  -0.257  -7.518   2.744
  731    H3*    U  68           H3*        U  68   2.080  -5.629   2.382
  732    H2*    U  68           H2*        U  68   2.576  -5.834   4.673
  733   2HO*    U  68          2HO*        U  68   0.330  -7.278   5.414
  734    H1*    U  68           H1*        U  68   1.869  -8.518   4.955
  735    H3     U  68           H3         U  68   6.303  -8.563   5.835
  736    H5     U  68           H5         U  68   6.103  -7.827   1.687
  737    H6     U  68           H6         U  68   3.692  -7.673   1.896
  738   1H5*    U  69          1H5*        U  69   0.222  -4.687   5.686
  739   2H5*    U  69          2H5*        U  69  -0.343  -3.010   5.829
  740    H4*    U  69           H4*        U  69   0.795  -3.395   7.845
  741    H3*    U  69           H3*        U  69   2.709  -2.062   5.909
  742    H2*    U  69           H2*        U  69   4.372  -2.173   7.540
  743   2HO*    U  69          2HO*        U  69   3.924  -2.314   9.748
  744    H1*    U  69           H1*        U  69   3.469  -4.533   8.814
  745    H3     U  69           H3         U  69   7.644  -5.796   7.680
  746    H5     U  69           H5         U  69   5.839  -4.982   3.966
  747    H6     U  69           H6         U  69   3.876  -4.214   5.160
  748   1H5*    G  70          1H5*        G  70   2.762  -0.356   9.661
  749   2H5*    G  70          2H5*        G  70   3.260   1.346   9.733
  750    H4*    G  70           H4*        G  70   4.738  -0.224  11.013
  751    H3*    G  70           H3*        G  70   5.961   1.359   8.731
  752    H2*    G  70           H2*        G  70   8.025   0.402   9.275
  753   2HO*    G  70          2HO*        G  70   7.097   0.705  11.775
  754    H1*    G  70           H1*        G  70   6.971  -2.025  10.328
  755    H8     G  70           H8         G  70   6.073  -1.128   6.706
  756    H1     G  70           H1         G  70  11.564  -4.352   7.384
  757   1H2     G  70          1H2         G  70  12.083  -4.508   9.538
  758   2H2     G  70          2H2         G  70  11.080  -3.821  10.796
  759   1H5*    G  71          1H5*        G  71   7.720   2.905  12.894
  760   2H5*    G  71          2H5*        G  71   7.921   4.640  12.582
  761    H4*    G  71           H4*        G  71   9.919   3.769  13.649
  762    H3*    G  71           H3*        G  71  10.217   4.550  10.749
  763    H2*    G  71           H2*        G  71  12.455   3.828  10.742
  764   2HO*    G  71          2HO*        G  71  12.402   3.536  13.568
  765    H1*    G  71           H1*        G  71  12.162   1.580  12.281
  766    H8     G  71           H8         G  71   9.237   2.100   9.881
  767    H1     G  71           H1         G  71  14.297  -0.750   7.195
  768   1H2     G  71          1H2         G  71  15.997  -0.778   8.618
  769   2H2     G  71          2H2         G  71  15.906  -0.058  10.209
  770   1H5*    U  72          1H5*        U  72  13.811   6.269  12.793
  771   2H5*    U  72          2H5*        U  72  13.676   7.994  12.401
  772    H4*    U  72           H4*        U  72  15.939   7.319  11.967
  773    H3*    U  72           H3*        U  72  14.300   7.715   9.459
  774    H2*    U  72           H2*        U  72  16.144   7.083   8.136
  775   2HO*    U  72          2HO*        U  72  18.266   6.906   9.064
  776    H1*    U  72           H1*        U  72  17.091   5.055   9.740
  777    H3     U  72           H3         U  72  15.436   2.839   6.149
  778    H5     U  72           H5         U  72  11.999   4.191   8.183
  779    H6     U  72           H6         U  72  13.456   5.425   9.684
  780   1H5*    U  73          1H5*        U  73  17.820   9.069   8.864
  781   2H5*    U  73          2H5*        U  73  18.021  10.799   8.519
  782    H4*    U  73           H4*        U  73  19.400   9.704   6.949
  783    H3*    U  73           H3*        U  73  16.754  10.403   5.647
  784    H2*    U  73           H2*        U  73  17.563   9.482   3.636
  785   2HO*    U  73          2HO*        U  73  19.603   9.586   3.085
  786    H1*    U  73           H1*        U  73  18.970   7.367   4.771
  787    H3     U  73           H3         U  73  15.703   5.272   2.462
  788    H5     U  73           H5         U  73  13.671   7.061   5.693
  789    H6     U  73           H6         U  73  15.745   8.167   6.294
  790   1H5*    C  74          1H5*        C  74  19.858  11.431   3.097
  791   2H5*    C  74          2H5*        C  74  19.561  12.966   2.259
  792    H4*    C  74           H4*        C  74  19.999  11.149   0.662
  793    H3*    C  74           H3*        C  74  17.169  12.241   0.662
  794    H2*    C  74           H2*        C  74  16.702  10.813  -1.162
  795   2HO*    C  74          2HO*        C  74  19.068   9.657  -1.671
  796    H1*    C  74           H1*        C  74  18.173   8.647  -0.253
  797   1H4     C  74          1H4         C  74  12.203   7.248   1.424
  798   2H4     C  74          2H4         C  74  12.225   8.470   2.675
  799    H5     C  74           H5         C  74  14.091   9.959   3.034
  800    H6     C  74           H6         C  74  16.324  10.606   2.256
  801   1H5*    U  75          1H5*        U  75  18.679  12.817  -2.969
  802   2H5*    U  75          2H5*        U  75  18.138  14.122  -4.043
  803    H4*    U  75           H4*        U  75  17.440  11.924  -4.889
  804    H3*    U  75           H3*        U  75  15.231  13.757  -3.929
  805    H2*    U  75           H2*        U  75  13.658  12.124  -4.465
  806   2HO*    U  75          2HO*        U  75  14.007  11.618  -6.524
  807    H1*    U  75           H1*        U  75  15.330   9.867  -4.070
  808    H3     U  75           H3         U  75  11.807   8.935  -1.410
  809    H5     U  75           H5         U  75  13.679  12.192   0.493
  810    H6     U  75           H6         U  75  15.167  12.366  -1.414
  811   1H5*    U  76          1H5*        U  76  14.858  12.879  -8.225
  812   2H5*    U  76          2H5*        U  76  14.295  14.256  -9.192
  813    H4*    U  76           H4*        U  76  12.985  12.252  -9.691
  814    H3*    U  76           H3*        U  76  11.582  14.544  -8.341
  815    H2*    U  76           H2*        U  76   9.623  13.316  -8.045
  816   2HO*    U  76          2HO*        U  76  10.430  11.264  -9.806
  817    H1*    U  76           H1*        U  76  10.710  10.779  -7.712
  818    H3     U  76           H3         U  76   8.694  11.517  -3.730
  819    H5     U  76           H5         U  76  12.049  14.061  -3.660
  820    H6     U  76           H6         U  76  12.466  13.466  -5.978
  821   1H5*    C  77          1H5*        C  77   7.502  15.293 -11.678
  822   2H5*    C  77          2H5*        C  77   7.643  15.678  -9.950
  823    H4*    C  77           H4*        C  77   6.369  13.244 -11.226
  824    H3*    C  77           H3*        C  77   5.331  15.628  -9.751
  825    H2*    C  77           H2*        C  77   4.029  14.402  -8.268
  826   2HO*    C  77          2HO*        C  77   4.141  12.233 -10.114
  827    H1*    C  77           H1*        C  77   5.499  12.059  -8.084
  828   1H4     C  77          1H4         C  77   6.653  15.414  -2.772
  829   2H4     C  77          2H4         C  77   8.050  16.119  -3.552
  830    H5     C  77           H5         C  77   8.586  15.764  -5.872
  831    H6     C  77           H6         C  77   7.896  14.662  -7.949
  832   1H5*    C  78          1H5*        C  78   0.961  17.057 -10.869
  833   2H5*    C  78          2H5*        C  78   1.943  17.534  -9.469
  834    H4*    C  78           H4*        C  78  -0.467  15.728  -9.581
  835    H3*    C  78           H3*        C  78   0.224  18.304  -8.280
  836    H2*    C  78           H2*        C  78  -0.360  17.706  -6.118
  837   2HO*    C  78          2HO*        C  78  -2.361  17.016  -6.106
  838    H1*    C  78           H1*        C  78   0.129  14.998  -6.109
  839   1H4     C  78          1H4         C  78   5.179  17.790  -3.332
  840   2H4     C  78          2H4         C  78   6.011  17.709  -4.867
  841    H5     C  78           H5         C  78   4.950  17.015  -6.908
  842    H6     C  78           H6         C  78   2.864  16.236  -7.926
  843   1H5*    U  79          1H5*        U  79  -3.186  21.301  -9.187
  844   2H5*    U  79          2H5*        U  79  -1.946  22.126  -8.221
  845    H4*    U  79           H4*        U  79  -4.279  20.571  -7.368
  846    H3*    U  79           H3*        U  79  -2.538  22.724  -6.226
  847    H2*    U  79           H2*        U  79  -2.715  21.969  -4.031
  848   2HO*    U  79          2HO*        U  79  -4.482  21.034  -3.248
  849    H1*    U  79           H1*        U  79  -2.828  19.256  -4.426
  850    H3     U  79           H3         U  79   1.098  20.651  -2.361
  851    H5     U  79           H5         U  79   1.896  20.335  -6.488
  852    H6     U  79           H6         U  79  -0.490  20.094  -6.863
  853   1H5*    A  80          1H5*        A  80  -5.995  25.832  -3.659
  854   2H5*    A  80          2H5*        A  80  -4.326  26.279  -4.070
  855    H4*    A  80           H4*        A  80  -5.354  24.886  -1.591
  856    H3*    A  80           H3*        A  80  -4.817  27.546  -1.956
  857    H2*    A  80           H2*        A  80  -2.536  27.467  -2.458
  858   2HO*    A  80          2HO*        A  80  -1.304  27.416  -0.394
  859    H1*    A  80           H1*        A  80  -1.875  25.169  -0.690
  860    H8     A  80           H8         A  80  -2.288  25.363  -4.546
  861   1H6     A  80          1H6         A  80   3.839  24.596  -4.725
  862   2H6     A  80          2H6         A  80   2.379  24.741  -5.678
  863    H2     A  80           H2         A  80   2.613  24.918  -0.413
  864   1H5*    A  81          1H5*        A  81  -7.462  28.012   3.162
  865   2H5*    A  81          2H5*        A  81  -5.907  28.842   2.963
  866    H4*    A  81           H4*        A  81  -6.745  27.099   5.065
  867    H3*    A  81           H3*        A  81  -4.345  28.780   4.470
  868    H2*    A  81           H2*        A  81  -2.853  27.455   5.646
  869   2HO*    A  81          2HO*        A  81  -4.987  27.211   7.300
  870    H1*    A  81           H1*        A  81  -4.033  24.958   5.399
  871    H8     A  81           H8         A  81  -4.082  25.951   1.906
  872   1H6     A  81          1H6         A  81   2.023  25.070   1.627
  873   2H6     A  81          2H6         A  81   0.559  25.300   0.697
  874    H2     A  81           H2         A  81   0.837  25.156   5.961
  875   1H5*    G  82          1H5*        G  82  -3.329  32.387   5.843
  876   2H5*    G  82          2H5*        G  82  -3.474  30.803   5.053
  877    H4*    G  82           H4*        G  82  -2.098  30.818   7.686
  878    H3*    G  82           H3*        G  82  -1.043  32.395   5.363
  879    H2*    G  82           H2*        G  82   1.028  31.324   5.370
  880   2HO*    G  82          2HO*        G  82   1.909  30.382   7.176
  881    H1*    G  82           H1*        G  82   0.273  28.793   6.158
  882    H8     G  82           H8         G  82  -2.295  29.604   3.638
  883    H1     G  82           H1         G  82   3.399  28.551   0.909
  884   1H2     G  82          1H2         G  82   4.994  28.549   2.455
  885   2H2     G  82          2H2         G  82   4.661  28.811   4.151
  886   1H5*    U  83          1H5*        U  83   2.014  32.934   8.184
  887   2H5*    U  83          2H5*        U  83   2.205  34.663   8.538
  888    H4*    U  83           H4*        U  83   4.368  33.736   7.998
  889    H3*    U  83           H3*        U  83   3.169  35.601   5.970
  890    H2*    U  83           H2*        U  83   4.845  35.175   4.394
  891   2HO*    U  83          2HO*        U  83   6.854  34.902   4.977
  892    H1*    U  83           H1*        U  83   5.270  32.504   4.875
  893    H3     U  83           H3         U  83   3.341  32.559   0.772
  894    H5     U  83           H5         U  83   0.150  33.279   3.429
  895    H6     U  83           H6         U  83   1.770  33.430   5.230
  896   1H5*    C  84          1H5*        C  84   6.869  36.396   6.151
  897   2H5*    C  84          2H5*        C  84   7.525  38.005   6.515
  898    H4*    C  84           H4*        C  84   8.559  37.337   4.491
  899    H3*    C  84           H3*        C  84   6.291  39.273   4.025
  900    H2*    C  84           H2*        C  84   6.500  39.062   1.713
  901   2HO*    C  84          2HO*        C  84   9.061  37.865   1.977
  902    H1*    C  84           H1*        C  84   7.410  36.408   1.610
  903   1H4     C  84          1H4         C  84   1.404  36.138  -0.441
  904   2H4     C  84          2H4         C  84   0.797  36.500   1.160
  905    H5     C  84           H5         C  84   2.232  36.979   3.038
  906    H6     C  84           H6         C  84   4.556  37.249   3.776
  907   1H5*    C  85          1H5*        C  85   9.721  39.814   1.742
  908   2H5*    C  85          2H5*        C  85  10.529  41.356   2.088
  909    H4*    C  85           H4*        C  85  10.857  41.067  -0.212
  910    H3*    C  85           H3*        C  85   8.498  42.874   0.294
  911    H2*    C  85           H2*        C  85   7.984  42.959  -2.000
  912   2HO*    C  85          2HO*        C  85  10.682  42.462  -2.251
  913    H1*    C  85           H1*        C  85   8.493  40.348  -2.641
  914   1H4     C  85          1H4         C  85   2.259  40.331  -1.350
  915   2H4     C  85          2H4         C  85   2.583  40.478   0.361
  916    H5     C  85           H5         C  85   4.790  40.744   1.268
  917    H6     C  85           H6         C  85   7.176  40.915   0.738
  918   1H5*    U  86          1H5*        U  86  10.057  44.092  -3.088
  919   2H5*    U  86          2H5*        U  86  10.334  45.843  -3.165
  920    H4*    U  86           H4*        U  86   8.899  45.027  -5.009
  921    H3*    U  86           H3*        U  86   7.801  46.987  -3.020
  922    H2*    U  86           H2*        U  86   5.640  46.630  -3.664
  923   2HO*    U  86          2HO*        U  86   6.661  47.381  -5.926
  924    H1*    U  86           H1*        U  86   6.195  44.312  -5.386
  925    H3     U  86           H3         U  86   2.046  43.253  -3.991
  926    H5     U  86           H5         U  86   4.329  43.274  -0.444
  927    H6     U  86           H6         U  86   6.188  44.147  -1.734
  928    H3T    U  86           H3T        U  86   8.827  48.128  -4.457
  929   1HO1  MN6 101          1HO1      MN6 101   3.169 -39.110  -5.396
  930   2HO1  MN6 101          2HO1      MN6 101   1.859 -39.412  -4.588
  931   1HO2  MN6 101          1HO2      MN6 101   4.382 -42.457  -1.862
  932   2HO2  MN6 101          2HO2      MN6 101   4.735 -43.267  -3.156
  933   1HO3  MN6 101          1HO3      MN6 101   4.622 -41.924  -6.041
  934   2HO3  MN6 101          2HO3      MN6 101   3.104 -42.315  -6.010
  935   1HO4  MN6 101          1HO4      MN6 101   4.088 -40.189  -1.627
  936   2HO4  MN6 101          2HO4      MN6 101   2.803 -39.508  -2.212
  937   1HO5  MN6 101          1HO5      MN6 101   6.101 -40.889  -4.609
  938   2HO5  MN6 101          2HO5      MN6 101   5.633 -39.490  -4.080
  939   1HO6  MN6 101          1HO6      MN6 101   1.275 -41.478  -3.559
  940   2HO6  MN6 101          2HO6      MN6 101   2.052 -42.365  -2.526
  941   1HO1  MN6 102          1HO1      MN6 102   3.683 -25.652 -11.829
  942   2HO1  MN6 102          2HO1      MN6 102   2.619 -26.780 -11.601
  943   1HO2  MN6 102          1HO2      MN6 102   6.269 -29.754 -11.113
  944   2HO2  MN6 102          2HO2      MN6 102   6.353 -29.336  -9.604
  945   1HO3  MN6 102          1HO3      MN6 102   5.753 -26.128 -12.605
  946   2HO3  MN6 102          2HO3      MN6 102   6.669 -27.400 -12.585
  947   1HO4  MN6 102          1HO4      MN6 102   4.226 -29.338  -9.128
  948   2HO4  MN6 102          2HO4      MN6 102   2.947 -28.580  -9.628
  949   1HO5  MN6 102          1HO5      MN6 102   3.900 -29.863 -11.730
  950   2HO5  MN6 102          2HO5      MN6 102   4.430 -29.026 -12.944
  951   1HO6  MN6 102          1HO6      MN6 102   5.796 -26.457  -8.910
  952   2HO6  MN6 102          2HO6      MN6 102   5.508 -25.450 -10.076
  953   1HO1  MN6 103          1HO1      MN6 103  -6.818 -15.105   2.819
  954   2HO1  MN6 103          2HO1      MN6 103  -6.813 -16.488   2.082
  955   1HO2  MN6 103          1HO2      MN6 103 -10.926 -14.227   0.611
  956   2HO2  MN6 103          2HO2      MN6 103 -10.043 -13.528  -0.479
  957   1HO3  MN6 103          1HO3      MN6 103  -7.777 -12.727   1.750
  958   2HO3  MN6 103          2HO3      MN6 103  -6.908 -13.111   0.503
  959   1HO4  MN6 103          1HO4      MN6 103 -10.056 -16.903   0.652
  960   2HO4  MN6 103          2HO4      MN6 103  -9.835 -16.646   2.183
  961   1HO5  MN6 103          1HO5      MN6 103  -9.242 -14.958   3.401
  962   2HO5  MN6 103          2HO5      MN6 103 -10.198 -13.983   2.632
  963   1HO6  MN6 103          1HO6      MN6 103  -6.840 -14.936  -0.787
  964   2HO6  MN6 103          2HO6      MN6 103  -8.238 -15.084  -1.480
  965   1HO1  MN6 104          1HO1      MN6 104  -9.314  -0.737  -1.888
  966   2HO1  MN6 104          2HO1      MN6 104  -8.095  -1.499  -1.263
  967   1HO2  MN6 104          1HO2      MN6 104 -10.613  -2.936   2.493
  968   2HO2  MN6 104          2HO2      MN6 104 -11.287  -1.521   2.449
  969   1HO3  MN6 104          1HO3      MN6 104  -7.737  -2.610   0.630
  970   2HO3  MN6 104          2HO3      MN6 104  -8.007  -1.319   1.478
  971   1HO4  MN6 104          1HO4      MN6 104 -11.700  -1.543  -1.594
  972   2HO4  MN6 104          2HO4      MN6 104 -12.519  -1.664  -0.263
  973   1HO5  MN6 104          1HO5      MN6 104 -10.646  -4.334  -0.467
  974   2HO5  MN6 104          2HO5      MN6 104  -9.617  -4.393   0.715
  975   1HO6  MN6 104          1HO6      MN6 104 -10.901   0.382   0.363
  976   2HO6  MN6 104          2HO6      MN6 104 -10.024   0.078   1.626
  977   1HO1  MN6 105          1HO1      MN6 105 -13.030  13.607   4.270
  978   2HO1  MN6 105          2HO1      MN6 105 -13.199  12.079   3.965
  979   1HO2  MN6 105          1HO2      MN6 105 -10.901  12.614   8.387
  980   2HO2  MN6 105          2HO2      MN6 105 -12.225  11.941   8.880
  981   1HO3  MN6 105          1HO3      MN6 105 -14.912  12.564   6.629
  982   2HO3  MN6 105          2HO3      MN6 105 -14.421  11.600   7.764
  983   1HO4  MN6 105          1HO4      MN6 105 -10.686  12.356   4.668
  984   2HO4  MN6 105          2HO4      MN6 105 -10.403  13.515   5.684
  985   1HO5  MN6 105          1HO5      MN6 105 -12.791  14.835   6.069
  986   2HO5  MN6 105          2HO5      MN6 105 -11.585  14.666   7.056
  987   1HO6  MN6 105          1HO6      MN6 105 -13.338  10.094   6.684
  988   2HO6  MN6 105          2HO6      MN6 105 -12.977  10.309   5.173
  989   1HO1  MN6 106          1HO1      MN6 106  -2.990  40.410   0.810
  990   2HO1  MN6 106          2HO1      MN6 106  -1.797  41.411   0.988
  991   1HO2  MN6 106          1HO2      MN6 106  -1.578  39.321  -3.633
  992   2HO2  MN6 106          2HO2      MN6 106  -0.199  39.140  -2.910
  993   1HO3  MN6 106          1HO3      MN6 106  -2.092  38.168  -0.493
  994   2HO3  MN6 106          2HO3      MN6 106  -2.734  38.237  -1.921
  995   1HO4  MN6 106          1HO4      MN6 106  -0.024  42.122  -0.691
  996   2HO4  MN6 106          2HO4      MN6 106  -1.060  42.844  -1.620
  997   1HO5  MN6 106          1HO5      MN6 106  -0.549  39.361   0.597
  998   2HO5  MN6 106          2HO5      MN6 106   0.016  38.696  -0.706
  999   1HO6  MN6 106          1HO6      MN6 106  -3.930  40.449  -2.344
 1000   2HO6  MN6 106          2HO6      MN6 106  -3.018  41.341  -3.258
 1001   1HO1  MN6 107          1HO1      MN6 107  -3.303  28.472  -8.887
 1002   2HO1  MN6 107          2HO1      MN6 107  -3.887  29.648  -9.743
 1003   1HO2  MN6 107          1HO2      MN6 107  -0.663  32.249  -7.301
 1004   2HO2  MN6 107          2HO2      MN6 107  -1.868  32.637  -6.378
 1005   1HO3  MN6 107          1HO3      MN6 107  -1.198  28.938  -9.013
 1006   2HO3  MN6 107          2HO3      MN6 107  -0.227  30.083  -8.563
 1007   1HO4  MN6 107          1HO4      MN6 107  -4.048  32.490  -7.073
 1008   2HO4  MN6 107          2HO4      MN6 107  -4.921  31.265  -7.515
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.975  28.614  -6.370
 1010   2HO5  MN6 107          2HO5      MN6 107  -3.491  28.943  -6.134
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.420  31.163 -10.157
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.953  32.435  -9.413
 1013   1HO1  MN6 108          1HO1      MN6 108  10.537  15.221   4.311
 1014   2HO1  MN6 108          2HO1      MN6 108   9.309  14.288   4.593
 1015   1HO2  MN6 108          1HO2      MN6 108   7.767  16.302   0.298
 1016   2HO2  MN6 108          2HO2      MN6 108   9.158  15.787  -0.211
 1017   1HO3  MN6 108          1HO3      MN6 108   9.311  17.685   3.056
 1018   2HO3  MN6 108          2HO3      MN6 108  10.655  17.216   2.399
 1019   1HO4  MN6 108          1HO4      MN6 108   8.516  12.931   1.931
 1020   2HO4  MN6 108          2HO4      MN6 108   7.165  13.726   1.895
 1021   1HO5  MN6 108          1HO5      MN6 108   6.677  15.644   3.317
 1022   2HO5  MN6 108          2HO5      MN6 108   6.859  16.749   2.221
 1023   1HO6  MN6 108          1HO6      MN6 108  10.969  15.128   0.854
 1024   2HO6  MN6 108          2HO6      MN6 108  11.378  14.900   2.350
 1025   1HO1  MN6 109          1HO1      MN6 109   6.805   3.019   3.839
 1026   2HO1  MN6 109          2HO1      MN6 109   7.919   3.473   4.845
 1027   1HO2  MN6 109          1HO2      MN6 109  10.613  -0.280   3.519
 1028   2HO2  MN6 109          2HO2      MN6 109   9.327  -0.868   2.844
 1029   1HO3  MN6 109          1HO3      MN6 109   9.217   1.723   0.957
 1030   2HO3  MN6 109          2HO3      MN6 109   8.539   3.043   1.463
 1031   1HO4  MN6 109          1HO4      MN6 109   8.018   1.198   5.728
 1032   2HO4  MN6 109          2HO4      MN6 109   8.851  -0.067   5.320
 1033   1HO5  MN6 109          1HO5      MN6 109   7.121   1.317   1.572
 1034   2HO5  MN6 109          2HO5      MN6 109   6.400   0.999   2.928
 1035   1HO6  MN6 109          1HO6      MN6 109  11.184   2.214   3.568
 1036   2HO6  MN6 109          2HO6      MN6 109  10.293   3.295   4.273
 1037   1HO1  MN6 110          1HO1      MN6 110  11.257 -10.701  11.365
 1038   2HO1  MN6 110          2HO1      MN6 110  10.847  -9.717  10.214
 1039   1HO2  MN6 110          1HO2      MN6 110   9.945 -14.468   8.849
 1040   2HO2  MN6 110          2HO2      MN6 110   9.705 -13.570   7.586
 1041   1HO3  MN6 110          1HO3      MN6 110   9.072 -12.419  11.897
 1042   2HO3  MN6 110          2HO3      MN6 110   7.882 -12.051  10.946
 1043   1HO4  MN6 110          1HO4      MN6 110  11.670 -10.823   8.278
 1044   2HO4  MN6 110          2HO4      MN6 110  11.369 -12.173   7.541
 1045   1HO5  MN6 110          1HO5      MN6 110  12.041 -12.731  11.007
 1046   2HO5  MN6 110          2HO5      MN6 110  11.500 -14.032  10.318
 1047   1HO6  MN6 110          1HO6      MN6 110   9.075 -10.331   8.169
 1048   2HO6  MN6 110          2HO6      MN6 110   8.104 -11.561   8.164
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   8.378 -45.422  -1.184
    2   2H5*    G   1          2H5*        G   1   8.861 -43.832  -1.807
    3    H4*    G   1           H4*        G   1   8.654 -45.268  -3.697
    4    H3*    G   1           H3*        G   1   6.431 -43.285  -3.374
    5    H2*    G   1           H2*        G   1   5.096 -44.258  -5.029
    6   2HO*    G   1          2HO*        G   1   7.398 -45.685  -5.923
    7    H1*    G   1           H1*        G   1   5.663 -46.906  -4.622
    8    H8     G   1           H8         G   1   5.388 -45.685  -1.149
    9    H1     G   1           H1         G   1  -0.333 -45.838  -4.027
   10   1H2     G   1          1H2         G   1  -0.074 -46.119  -6.212
   11   2H2     G   1          2H2         G   1   1.499 -46.266  -6.963
   12    H5T    G   1           H5T        G   1   6.897 -43.044  -1.390
   13   1H5*    G   2          1H5*        G   2   6.410 -43.778  -7.331
   14   2H5*    G   2          2H5*        G   2   6.711 -42.227  -8.138
   15    H4*    G   2           H4*        G   2   4.651 -43.320  -8.955
   16    H3*    G   2           H3*        G   2   4.429 -40.674  -7.529
   17    H2*    G   2           H2*        G   2   2.110 -40.761  -7.546
   18   2HO*    G   2          2HO*        G   2   1.558 -42.705  -9.338
   19    H1*    G   2           H1*        G   2   1.787 -43.583  -7.662
   20    H8     G   2           H8         G   2   3.811 -42.498  -4.662
   21    H1     G   2           H1         G   2  -2.511 -41.976  -3.793
   22   1H2     G   2          1H2         G   2  -3.567 -42.263  -5.723
   23   2H2     G   2          2H2         G   2  -2.719 -42.579  -7.220
   24   1H5*    G   3          1H5*        G   3   2.200 -40.468 -10.673
   25   2H5*    G   3          2H5*        G   3   2.428 -39.211 -11.907
   26    H4*    G   3           H4*        G   3   0.131 -39.132 -11.349
   27    H3*    G   3           H3*        G   3   1.701 -36.949  -9.983
   28    H2*    G   3           H2*        G   3  -0.146 -36.290  -8.739
   29   2HO*    G   3          2HO*        G   3  -2.154 -36.287  -9.526
   30    H1*    G   3           H1*        G   3  -1.524 -38.769  -8.680
   31    H8     G   3           H8         G   3   2.098 -38.549  -7.377
   32    H1     G   3           H1         G   3  -2.424 -37.647  -2.935
   33   1H2     G   3          1H2         G   3  -4.425 -37.567  -3.898
   34   2H2     G   3          2H2         G   3  -4.643 -37.730  -5.626
   35   1H5*    A   4          1H5*        A   4  -2.042 -35.669 -11.270
   36   2H5*    A   4          2H5*        A   4  -1.950 -34.227 -12.301
   37    H4*    A   4           H4*        A   4  -3.706 -33.912 -10.670
   38    H3*    A   4           H3*        A   4  -1.231 -32.243 -10.266
   39    H2*    A   4           H2*        A   4  -2.003 -31.424  -8.235
   40   2HO*    A   4          2HO*        A   4  -4.671 -32.202  -8.725
   41    H1*    A   4           H1*        A   4  -3.656 -33.592  -7.487
   42    H8     A   4           H8         A   4   0.091 -34.074  -8.344
   43   1H6     A   4          1H6         A   4   1.011 -33.810  -2.243
   44   2H6     A   4          2H6         A   4   1.760 -34.081  -3.799
   45    H2     A   4           H2         A   4  -3.333 -32.960  -3.022
   46   1H5*    U   5          1H5*        U   5  -4.819 -29.775  -9.548
   47   2H5*    U   5          2H5*        U   5  -4.447 -28.122 -10.076
   48    H4*    U   5           H4*        U   5  -5.138 -28.401  -7.643
   49    H3*    U   5           H3*        U   5  -2.610 -27.006  -8.499
   50    H2*    U   5           H2*        U   5  -1.839 -26.814  -6.320
   51   2HO*    U   5          2HO*        U   5  -3.123 -26.217  -4.755
   52    H1*    U   5           H1*        U   5  -3.140 -29.048  -5.182
   53    H3     U   5           H3         U   5   1.093 -30.187  -4.199
   54    H5     U   5           H5         U   5   1.060 -30.124  -8.414
   55    H6     U   5           H6         U   5  -1.218 -29.294  -8.318
   56   1H5*    A   6          1H5*        A   6  -7.318 -24.426  -5.681
   57   2H5*    A   6          2H5*        A   6  -6.199 -23.066  -5.461
   58    H4*    A   6           H4*        A   6  -6.982 -25.227  -3.514
   59    H3*    A   6           H3*        A   6  -7.659 -22.509  -3.706
   60    H2*    A   6           H2*        A   6  -5.693 -21.558  -2.916
   61   2HO*    A   6          2HO*        A   6  -6.148 -21.013  -0.940
   62    H1*    A   6           H1*        A   6  -4.941 -23.900  -1.213
   63    H8     A   6           H8         A   6  -3.480 -22.501  -4.529
   64   1H6     A   6          1H6         A   6   1.472 -21.053  -1.126
   65   2H6     A   6          2H6         A   6   0.796 -21.070  -2.738
   66    H2     A   6           H2         A   6  -1.654 -22.726   1.625
   67   1H5*    U   7          1H5*        U   7  -9.705 -22.775   2.039
   68   2H5*    U   7          2H5*        U   7  -9.677 -21.356   0.971
   69    H4*    U   7           H4*        U   7  -8.383 -20.864   2.951
   70    H3*    U   7           H3*        U   7  -7.283 -20.592   0.403
   71    H2*    U   7           H2*        U   7  -5.817 -22.418   0.466
   72   2HO*    U   7          2HO*        U   7  -3.893 -21.516   1.935
   73    H1*    U   7           H1*        U   7  -5.329 -22.116   3.418
   74    H3     U   7           H3         U   7  -6.190 -26.974   3.531
   75    H5     U   7           H5         U   7  -3.074 -25.810   0.943
   76    H6     U   7           H6         U   7  -3.837 -23.517   1.163
   77   1H5*    G   8          1H5*        G   8  -3.036 -20.790   4.660
   78   2H5*    G   8          2H5*        G   8  -3.707 -19.182   5.003
   79    H4*    G   8           H4*        G   8  -1.239 -19.310   4.295
   80    H3*    G   8           H3*        G   8  -3.274 -17.469   3.051
   81    H2*    G   8           H2*        G   8  -1.787 -16.780   1.410
   82   2HO*    G   8          2HO*        G   8  -0.181 -16.124   2.908
   83    H1*    G   8           H1*        G   8  -0.169 -19.091   1.279
   84    H8     G   8           H8         G   8  -3.835 -19.864   0.774
   85    H1     G   8           H1         G   8  -0.979 -17.660  -4.508
   86   1H2     G   8          1H2         G   8   1.054 -16.925  -4.025
   87   2H2     G   8          2H2         G   8   1.709 -16.975  -2.406
   88   1H5*    G   9          1H5*        G   9  -4.161 -13.387   3.552
   89   2H5*    G   9          2H5*        G   9  -4.713 -14.392   2.197
   90    H4*    G   9           H4*        G   9  -1.909 -13.362   2.718
   91    H3*    G   9           H3*        G   9  -4.074 -12.620   0.804
   92    H2*    G   9           H2*        G   9  -2.737 -12.741  -1.103
   93   2HO*    G   9          2HO*        G   9  -0.869 -11.815   0.599
   94    H1*    G   9           H1*        G   9  -1.086 -14.815  -0.460
   95    H8     G   9           H8         G   9  -4.054 -16.409   0.773
   96    H1     G   9           H1         G   9  -4.595 -15.512  -5.544
   97   1H2     G   9          1H2         G   9  -3.064 -14.053  -6.237
   98   2H2     G   9          2H2         G   9  -1.924 -13.297  -5.147
   99   1H5*    A  10          1H5*        A  10  -1.636  -9.032   0.797
  100   2H5*    A  10          2H5*        A  10  -2.565  -7.522   0.881
  101    H4*    A  10           H4*        A  10  -1.421  -7.902  -1.315
  102    H3*    A  10           H3*        A  10  -4.413  -7.577  -1.162
  103    H2*    A  10           H2*        A  10  -4.663  -8.029  -3.435
  104   2HO*    A  10          2HO*        A  10  -1.886  -7.568  -3.847
  105    H1*    A  10           H1*        A  10  -2.509  -9.781  -3.777
  106    H8     A  10           H8         A  10  -4.329 -11.150  -0.871
  107   1H6     A  10          1H6         A  10  -8.558 -13.415  -4.757
  108   2H6     A  10          2H6         A  10  -7.955 -13.435  -3.116
  109    H2     A  10           H2         A  10  -5.970 -10.542  -7.053
  110   1H5*    A  11          1H5*        A  11  -2.409  -4.833  -4.074
  111   2H5*    A  11          2H5*        A  11  -3.203  -3.247  -4.149
  112    H4*    A  11           H4*        A  11  -2.797  -4.317  -6.386
  113    H3*    A  11           H3*        A  11  -5.559  -3.524  -5.488
  114    H2*    A  11           H2*        A  11  -6.554  -4.479  -7.388
  115   2HO*    A  11          2HO*        A  11  -5.571  -4.040  -9.194
  116    H1*    A  11           H1*        A  11  -4.967  -6.702  -7.642
  117    H8     A  11           H8         A  11  -5.666  -6.166  -3.962
  118   1H6     A  11          1H6         A  11 -10.985  -9.176  -4.874
  119   2H6     A  11          2H6         A  11  -9.893  -8.517  -3.676
  120    H2     A  11           H2         A  11  -9.164  -8.333  -8.896
  121   1H5*    G  12          1H5*        G  12  -5.482  -1.354  -9.263
  122   2H5*    G  12          2H5*        G  12  -6.040   0.297  -8.923
  123    H4*    G  12           H4*        G  12  -7.454  -0.822 -10.605
  124    H3*    G  12           H3*        G  12  -8.701  -0.103  -7.951
  125    H2*    G  12           H2*        G  12 -10.731  -1.105  -8.572
  126   2HO*    G  12          2HO*        G  12 -10.100  -1.581 -11.236
  127    H1*    G  12           H1*        G  12  -9.717  -3.215 -10.048
  128    H8     G  12           H8         G  12  -7.792  -2.781  -6.804
  129    H1     G  12           H1         G  12 -13.301  -5.960  -6.114
  130   1H2     G  12          1H2         G  12 -14.491  -5.834  -7.985
  131   2H2     G  12          2H2         G  12 -13.928  -4.968  -9.395
  132   1H5*    A  13          1H5*        A  13 -11.512   0.622 -10.286
  133   2H5*    A  13          2H5*        A  13 -11.878   2.337 -10.556
  134    H4*    A  13           H4*        A  13 -13.997   1.524 -10.186
  135    H3*    A  13           H3*        A  13 -12.887   2.314  -7.494
  136    H2*    A  13           H2*        A  13 -14.731   1.389  -6.391
  137   2HO*    A  13          2HO*        A  13 -16.601   0.727  -7.907
  138    H1*    A  13           H1*        A  13 -15.227  -0.748  -8.098
  139    H8     A  13           H8         A  13 -11.617  -0.009  -6.900
  140   1H6     A  13          1H6         A  13 -12.736  -4.221  -2.522
  141   2H6     A  13          2H6         A  13 -11.531  -3.173  -3.234
  142    H2     A  13           H2         A  13 -16.540  -3.580  -4.828
  143   1H5*    A  14          1H5*        A  14 -17.105   3.046  -8.173
  144   2H5*    A  14          2H5*        A  14 -17.454   4.759  -7.863
  145    H4*    A  14           H4*        A  14 -19.261   3.495  -6.939
  146    H3*    A  14           H3*        A  14 -17.351   4.573  -4.868
  147    H2*    A  14           H2*        A  14 -18.504   3.476  -3.142
  148   2HO*    A  14          2HO*        A  14 -20.639   3.105  -4.995
  149    H1*    A  14           H1*        A  14 -19.119   1.143  -4.460
  150    H8     A  14           H8         A  14 -15.623   2.744  -4.949
  151   1H6     A  14          1H6         A  14 -13.756  -1.119  -0.513
  152   2H6     A  14          2H6         A  14 -13.254   0.082  -1.681
  153    H2     A  14           H2         A  14 -18.211  -1.561  -0.942
  154   1H5*    C  15          1H5*        C  15 -21.160   4.886  -3.227
  155   2H5*    C  15          2H5*        C  15 -21.445   6.554  -2.690
  156    H4*    C  15           H4*        C  15 -21.988   5.103  -0.863
  157    H3*    C  15           H3*        C  15 -19.332   6.507  -0.487
  158    H2*    C  15           H2*        C  15 -19.037   5.391   1.548
  159   2HO*    C  15          2HO*        C  15 -20.787   4.519   2.719
  160    H1*    C  15           H1*        C  15 -20.437   3.030   0.885
  161   1H4     C  15          1H4         C  15 -14.355   1.201   0.932
  162   2H4     C  15          2H4         C  15 -13.979   2.258  -0.411
  163    H5     C  15           H5         C  15 -15.591   3.734  -1.419
  164    H6     C  15           H6         C  15 -17.903   4.543  -1.340
  165   1H5*    C  16          1H5*        C  16 -21.340   6.619   2.842
  166   2H5*    C  16          2H5*        C  16 -21.300   8.088   3.840
  167    H4*    C  16           H4*        C  16 -20.441   6.225   5.129
  168    H3*    C  16           H3*        C  16 -18.361   8.239   4.255
  169    H2*    C  16           H2*        C  16 -16.677   6.955   5.228
  170   2HO*    C  16          2HO*        C  16 -16.979   5.708   7.004
  171    H1*    C  16           H1*        C  16 -17.909   4.422   4.940
  172   1H4     C  16          1H4         C  16 -13.023   4.236   0.896
  173   2H4     C  16          2H4         C  16 -13.692   5.546  -0.055
  174    H5     C  16           H5         C  16 -15.739   6.687   0.523
  175    H6     C  16           H6         C  16 -17.552   6.853   2.167
  176   1H5*    G  17          1H5*        G  17 -18.915   7.722   9.041
  177   2H5*    G  17          2H5*        G  17 -18.497   9.343   9.633
  178    H4*    G  17           H4*        G  17 -17.509   7.575  11.034
  179    H3*    G  17           H3*        G  17 -15.635   9.365   9.486
  180    H2*    G  17           H2*        G  17 -13.773   8.171  10.280
  181   2HO*    G  17          2HO*        G  17 -15.488   7.607  12.383
  182    H1*    G  17           H1*        G  17 -14.862   5.639  10.215
  183    H8     G  17           H8         G  17 -15.877   7.593   7.132
  184    H1     G  17           H1         G  17 -10.030   5.027   6.706
  185   1H2     G  17          1H2         G  17  -9.403   4.231   8.684
  186   2H2     G  17          2H2         G  17 -10.421   4.334  10.102
  187   1H5*    G  18          1H5*        G  18 -13.408   8.628  12.512
  188   2H5*    G  18          2H5*        G  18 -13.399  10.050  13.571
  189    H4*    G  18           H4*        G  18 -11.143   9.515  13.467
  190    H3*    G  18           H3*        G  18 -11.707  11.529  11.284
  191    H2*    G  18           H2*        G  18  -9.527  11.320  10.487
  192   2HO*    G  18          2HO*        G  18  -8.026  10.106  12.154
  193    H1*    G  18           H1*        G  18  -9.058   8.652  11.335
  194    H8     G  18           H8         G  18 -12.120   9.032   9.128
  195    H1     G  18           H1         G  18  -6.643   8.543   5.848
  196   1H2     G  18          1H2         G  18  -4.916   8.683   7.230
  197   2H2     G  18          2H2         G  18  -5.109   8.892   8.957
  198   1H5*    G  19          1H5*        G  19  -8.034  12.141  12.580
  199   2H5*    G  19          2H5*        G  19  -7.920  13.668  13.478
  200    H4*    G  19           H4*        G  19  -5.989  13.664  12.152
  201    H3*    G  19           H3*        G  19  -8.157  15.266  10.791
  202    H2*    G  19           H2*        G  19  -6.820  15.564   8.902
  203   2HO*    G  19          2HO*        G  19  -4.685  15.794   9.000
  204    H1*    G  19           H1*        G  19  -5.365  13.160   9.043
  205    H8     G  19           H8         G  19  -9.235  13.202   9.176
  206    H1     G  19           H1         G  19  -6.734  12.297   3.353
  207   1H2     G  19          1H2         G  19  -4.522  12.479   3.437
  208   2H2     G  19          2H2         G  19  -3.665  12.823   4.924
  209   1H5*    G  20          1H5*        G  20  -7.639  19.639   9.667
  210   2H5*    G  20          2H5*        G  20  -8.103  17.926   9.603
  211    H4*    G  20           H4*        G  20  -5.308  18.625   8.810
  212    H3*    G  20           H3*        G  20  -7.723  19.524   7.264
  213    H2*    G  20           H2*        G  20  -6.944  18.592   5.259
  214   2HO*    G  20          2HO*        G  20  -4.454  18.907   6.489
  215    H1*    G  20           H1*        G  20  -5.815  16.296   6.231
  216    H8     G  20           H8         G  20  -8.807  16.289   8.306
  217    H1     G  20           H1         G  20 -10.399  15.539   2.153
  218   1H2     G  20          1H2         G  20  -8.678  16.016   0.859
  219   2H2     G  20          2H2         G  20  -7.133  16.527   1.501
  220   1H5*    A  21          1H5*        A  21  -8.611  23.441   6.706
  221   2H5*    A  21          2H5*        A  21  -9.289  22.033   5.863
  222    H4*    A  21           H4*        A  21  -9.336  24.356   4.691
  223    H3*    A  21           H3*        A  21  -8.665  21.707   3.479
  224    H2*    A  21           H2*        A  21  -7.746  22.604   1.524
  225   2HO*    A  21          2HO*        A  21  -8.386  24.473   0.658
  226    H1*    A  21           H1*        A  21  -6.501  24.814   2.512
  227    H8     A  21           H8         A  21  -6.249  21.840   4.908
  228   1H6     A  21          1H6         A  21  -1.052  20.376   1.938
  229   2H6     A  21          2H6         A  21  -2.078  20.023   3.309
  230    H2     A  21           H2         A  21  -3.035  23.716  -0.329
  231   1H5*    A  22          1H5*        A  22 -10.752  20.701  -0.665
  232   2H5*    A  22          2H5*        A  22  -9.815  19.730   0.489
  233    H4*    A  22           H4*        A  22  -8.903  21.272  -1.908
  234    H3*    A  22           H3*        A  22  -8.392  18.557  -0.721
  235    H2*    A  22           H2*        A  22  -6.147  18.563  -1.372
  236   2HO*    A  22          2HO*        A  22  -5.363  19.952  -3.009
  237    H1*    A  22           H1*        A  22  -5.585  21.250  -1.058
  238    H8     A  22           H8         A  22  -7.432  20.508   2.044
  239   1H6     A  22          1H6         A  22  -2.391  17.683   4.214
  240   2H6     A  22          2H6         A  22  -3.960  18.340   4.621
  241    H2     A  22           H2         A  22  -1.808  18.352  -0.198
  242   1H5*    A  23          1H5*        A  23  -7.498  16.046  -5.414
  243   2H5*    A  23          2H5*        A  23  -7.562  15.064  -3.937
  244    H4*    A  23           H4*        A  23  -5.284  15.798  -5.564
  245    H3*    A  23           H3*        A  23  -5.854  13.853  -3.350
  246    H2*    A  23           H2*        A  23  -3.628  13.805  -2.616
  247   2HO*    A  23          2HO*        A  23  -1.951  14.809  -3.977
  248    H1*    A  23           H1*        A  23  -2.979  16.427  -2.912
  249    H8     A  23           H8         A  23  -6.597  16.132  -1.772
  250   1H6     A  23          1H6         A  23  -4.401  15.925   3.998
  251   2H6     A  23          2H6         A  23  -5.844  16.067   3.013
  252    H2     A  23           H2         A  23  -0.899  15.641   1.162
  253   1H5*    C  24          1H5*        C  24  -3.189  11.832  -5.023
  254   2H5*    C  24          2H5*        C  24  -3.312  10.061  -5.030
  255    H4*    C  24           H4*        C  24  -1.760  11.008  -3.287
  256    H3*    C  24           H3*        C  24  -4.119   9.305  -2.444
  257    H2*    C  24           H2*        C  24  -3.452   9.529  -0.200
  258   2HO*    C  24          2HO*        C  24  -1.345  10.345   0.338
  259    H1*    C  24           H1*        C  24  -2.564  12.162  -0.352
  260   1H4     C  24          1H4         C  24  -8.371  12.307   2.287
  261   2H4     C  24          2H4         C  24  -9.109  12.191   0.704
  262    H5     C  24           H5         C  24  -7.838  11.905  -1.327
  263    H6     C  24           H6         C  24  -5.591  11.642  -2.270
  264   1H5*    U  25          1H5*        U  25  -1.120   7.897  -0.568
  265   2H5*    U  25          2H5*        U  25  -0.809   6.150  -0.506
  266    H4*    U  25           H4*        U  25  -1.034   7.037   1.749
  267    H3*    U  25           H3*        U  25  -3.301   5.264   0.818
  268    H2*    U  25           H2*        U  25  -4.398   5.579   2.862
  269   2HO*    U  25          2HO*        U  25  -2.717   6.799   4.474
  270    H1*    U  25           H1*        U  25  -3.477   8.189   3.388
  271    H3     U  25           H3         U  25  -8.010   8.528   3.360
  272    H5     U  25           H5         U  25  -6.951   8.149  -0.703
  273    H6     U  25           H6         U  25  -4.670   7.713  -0.000
  274   1H5*    U  26          1H5*        U  26  -2.133   4.267   4.468
  275   2H5*    U  26          2H5*        U  26  -1.573   2.605   4.743
  276    H4*    U  26           H4*        U  26  -2.999   2.963   6.549
  277    H3*    U  26           H3*        U  26  -4.588   1.655   4.335
  278    H2*    U  26           H2*        U  26  -6.537   1.822   5.613
  279   2HO*    U  26          2HO*        U  26  -6.102   2.520   7.995
  280    H1*    U  26           H1*        U  26  -5.944   4.215   6.937
  281    H3     U  26           H3         U  26  -9.559   5.604   4.653
  282    H5     U  26           H5         U  26  -6.876   4.478   1.609
  283    H6     U  26           H6         U  26  -5.351   3.702   3.326
  284   1H5*    G  27          1H5*        G  27  -5.542   0.293   7.682
  285   2H5*    G  27          2H5*        G  27  -5.825  -1.427   8.012
  286    H4*    G  27           H4*        G  27  -7.829  -0.266   8.589
  287    H3*    G  27           H3*        G  27  -8.076  -1.686   5.924
  288    H2*    G  27           H2*        G  27 -10.240  -0.851   5.699
  289   2HO*    G  27          2HO*        G  27 -11.231   0.057   7.788
  290    H1*    G  27           H1*        G  27  -9.877   1.498   7.266
  291    H8     G  27           H8         G  27  -7.735   0.788   4.118
  292    H1     G  27           H1         G  27 -12.975   4.335   3.155
  293   1H2     G  27          1H2         G  27 -14.172   4.432   5.024
  294   2H2     G  27          2H2         G  27 -13.674   3.630   6.496
  295   1H5*    G  28          1H5*        G  28 -11.157  -3.169   9.380
  296   2H5*    G  28          2H5*        G  28 -11.227  -4.902   9.002
  297    H4*    G  28           H4*        G  28 -13.451  -4.135   9.546
  298    H3*    G  28           H3*        G  28 -12.961  -4.818   6.656
  299    H2*    G  28           H2*        G  28 -15.092  -4.063   6.012
  300   2HO*    G  28          2HO*        G  28 -15.701  -4.639   8.661
  301    H1*    G  28           H1*        G  28 -15.268  -1.848   7.596
  302    H8     G  28           H8         G  28 -11.719  -2.407   6.272
  303    H1     G  28           H1         G  28 -15.519   0.761   2.212
  304   1H2     G  28          1H2         G  28 -17.602   0.806   2.998
  305   2H2     G  28          2H2         G  28 -18.058   0.027   4.495
  306   1H5*    U  29          1H5*        U  29 -16.554  -6.120   7.058
  307   2H5*    U  29          2H5*        U  29 -16.758  -7.867   6.817
  308    H4*    U  29           H4*        U  29 -18.354  -6.824   5.403
  309    H3*    U  29           H3*        U  29 -15.918  -7.716   3.849
  310    H2*    U  29           H2*        U  29 -16.776  -6.764   1.907
  311   2HO*    U  29          2HO*        U  29 -19.388  -6.538   2.948
  312    H1*    U  29           H1*        U  29 -18.323  -4.719   3.119
  313    H3     U  29           H3         U  29 -15.722  -2.426   0.215
  314    H5     U  29           H5         U  29 -13.001  -3.860   3.100
  315    H6     U  29           H6         U  29 -14.823  -5.104   4.105
  316   1H5*    U  30          1H5*        U  30 -20.000  -9.095   2.086
  317   2H5*    U  30          2H5*        U  30 -19.664 -10.620   1.243
  318    H4*    U  30           H4*        U  30 -20.930  -8.944  -0.125
  319    H3*    U  30           H3*        U  30 -18.224  -9.904  -1.090
  320    H2*    U  30           H2*        U  30 -18.464  -8.559  -3.012
  321   2HO*    U  30          2HO*        U  30 -20.535  -7.572  -3.496
  322    H1*    U  30           H1*        U  30 -19.673  -6.395  -1.780
  323    H3     U  30           H3         U  30 -15.652  -4.725  -2.979
  324    H5     U  30           H5         U  30 -14.758  -7.321   0.220
  325    H6     U  30           H6         U  30 -17.073  -8.053   0.182
  326   1H5*    C  31          1H5*        C  31 -20.705 -10.354  -4.491
  327   2H5*    C  31          2H5*        C  31 -20.155 -11.765  -5.415
  328    H4*    C  31           H4*        C  31 -20.004  -9.570  -6.641
  329    H3*    C  31           H3*        C  31 -17.505 -11.223  -6.200
  330    H2*    C  31           H2*        C  31 -16.250  -9.598  -7.319
  331   2HO*    C  31          2HO*        C  31 -18.713  -8.734  -8.458
  332    H1*    C  31           H1*        C  31 -17.804  -7.362  -6.584
  333   1H4     C  31          1H4         C  31 -12.429  -6.753  -3.251
  334   2H4     C  31          2H4         C  31 -12.908  -8.054  -2.184
  335    H5     C  31           H5         C  31 -14.908  -9.360  -2.511
  336    H6     C  31           H6         C  31 -16.869  -9.711  -3.939
  337   1H5*    U  32          1H5*        U  32 -17.695 -10.893 -10.718
  338   2H5*    U  32          2H5*        U  32 -17.383 -12.552 -11.266
  339    H4*    U  32           H4*        U  32 -15.867 -11.010 -12.383
  340    H3*    U  32           H3*        U  32 -14.639 -12.906 -10.386
  341    H2*    U  32           H2*        U  32 -12.524 -11.930 -10.652
  342   2HO*    U  32          2HO*        U  32 -13.150 -10.246 -12.767
  343    H1*    U  32           H1*        U  32 -13.301  -9.301 -10.930
  344    H3     U  32           H3         U  32 -11.318  -9.157  -6.888
  345    H5     U  32           H5         U  32 -14.773 -11.465  -6.204
  346    H6     U  32           H6         U  32 -15.222 -11.377  -8.586
  347   1H5*    U  33          1H5*        U  33 -12.494 -12.376 -13.875
  348   2H5*    U  33          2H5*        U  33 -11.667 -13.786 -14.567
  349    H4*    U  33           H4*        U  33 -10.194 -11.781 -14.191
  350    H3*    U  33           H3*        U  33  -9.573 -14.446 -12.931
  351    H2*    U  33           H2*        U  33  -7.837 -13.558 -11.677
  352   2HO*    U  33          2HO*        U  33  -7.449 -11.169 -12.978
  353    H1*    U  33           H1*        U  33  -8.723 -10.860 -11.556
  354    H3     U  33           H3         U  33  -8.058 -11.779  -7.182
  355    H5     U  33           H5         U  33 -11.348 -14.190  -8.240
  356    H6     U  33           H6         U  33 -11.018 -13.519 -10.547
  357   1H5*    C  34          1H5*        C  34  -4.776 -14.928 -14.794
  358   2H5*    C  34          2H5*        C  34  -5.059 -15.917 -13.346
  359    H4*    C  34           H4*        C  34  -3.750 -13.237 -13.615
  360    H3*    C  34           H3*        C  34  -3.161 -15.837 -12.232
  361    H2*    C  34           H2*        C  34  -2.296 -14.802 -10.334
  362   2HO*    C  34          2HO*        C  34  -1.951 -12.460 -11.922
  363    H1*    C  34           H1*        C  34  -3.826 -12.480 -10.306
  364   1H4     C  34          1H4         C  34  -6.173 -16.429  -5.847
  365   2H4     C  34          2H4         C  34  -7.376 -16.951  -7.004
  366    H5     C  34           H5         C  34  -7.364 -16.276  -9.315
  367    H6     C  34           H6         C  34  -6.192 -14.962 -11.019
  368   1H5*    C  35          1H5*        C  35   0.664 -13.871 -11.671
  369   2H5*    C  35          2H5*        C  35   1.762 -14.867 -12.647
  370    H4*    C  35           H4*        C  35   2.780 -14.580 -10.499
  371    H3*    C  35           H3*        C  35   1.619 -17.314 -10.975
  372    H2*    C  35           H2*        C  35   1.989 -17.980  -8.775
  373   2HO*    C  35          2HO*        C  35   3.573 -16.996  -7.460
  374    H1*    C  35           H1*        C  35   1.741 -15.504  -7.493
  375   1H4     C  35          1H4         C  35  -3.656 -18.553  -6.061
  376   2H4     C  35          2H4         C  35  -4.236 -18.355  -7.698
  377    H5     C  35           H5         C  35  -2.922 -17.367  -9.454
  378    H6     C  35           H6         C  35  -0.768 -16.352 -10.025
  379   1H5*    U  36          1H5*        U  36   5.972 -20.379  -9.695
  380   2H5*    U  36          2H5*        U  36   4.208 -20.387  -9.501
  381    H4*    U  36           H4*        U  36   6.117 -19.145  -7.497
  382    H3*    U  36           H3*        U  36   5.146 -21.974  -7.726
  383    H2*    U  36           H2*        U  36   4.364 -22.057  -5.549
  384   2HO*    U  36          2HO*        U  36   6.115 -19.907  -4.894
  385    H1*    U  36           H1*        U  36   3.857 -19.321  -5.103
  386    H3     U  36           H3         U  36   0.056 -21.741  -4.192
  387    H5     U  36           H5         U  36   0.036 -21.062  -8.353
  388    H6     U  36           H6         U  36   2.306 -20.224  -8.159
  389   1H5*    A  37          1H5*        A  37   8.467 -24.426  -4.507
  390   2H5*    A  37          2H5*        A  37   7.293 -25.357  -5.458
  391    H4*    A  37           H4*        A  37   7.135 -24.378  -2.638
  392    H3*    A  37           H3*        A  37   7.269 -26.913  -3.723
  393    H2*    A  37           H2*        A  37   5.162 -27.033  -4.730
  394   2HO*    A  37          2HO*        A  37   3.836 -28.146  -3.416
  395    H1*    A  37           H1*        A  37   3.784 -25.364  -2.669
  396    H8     A  37           H8         A  37   4.747 -24.971  -6.433
  397   1H6     A  37          1H6         A  37  -1.329 -24.343  -7.352
  398   2H6     A  37          2H6         A  37   0.248 -24.341  -8.109
  399    H2     A  37           H2         A  37  -0.664 -25.104  -2.970
  400   1H5*    A  38          1H5*        A  38   8.132 -28.588   1.112
  401   2H5*    A  38          2H5*        A  38   6.504 -28.439   0.422
  402    H4*    A  38           H4*        A  38   7.473 -27.890   3.195
  403    H3*    A  38           H3*        A  38   5.206 -29.347   1.923
  404    H2*    A  38           H2*        A  38   3.553 -28.516   3.330
  405   2HO*    A  38          2HO*        A  38   4.906 -27.291   5.300
  406    H1*    A  38           H1*        A  38   4.494 -25.999   3.866
  407    H8     A  38           H8         A  38   5.137 -26.215   0.243
  408   1H6     A  38          1H6         A  38  -0.904 -25.411  -0.752
  409   2H6     A  38          2H6         A  38   0.683 -25.438  -1.487
  410    H2     A  38           H2         A  38  -0.328 -26.285   3.620
  411   1H5*    G  39          1H5*        G  39   4.062 -31.667   5.823
  412   2H5*    G  39          2H5*        G  39   3.151 -32.781   4.784
  413    H4*    G  39           H4*        G  39   2.092 -30.715   6.307
  414    H3*    G  39           H3*        G  39   1.049 -32.484   4.140
  415    H2*    G  39           H2*        G  39  -0.668 -31.042   3.488
  416   2HO*    G  39          2HO*        G  39  -1.768 -29.945   4.914
  417    H1*    G  39           H1*        G  39   0.536 -28.619   3.823
  418    H8     G  39           H8         G  39   3.297 -30.659   2.415
  419    H1     G  39           H1         G  39  -1.122 -29.265  -2.003
  420   1H2     G  39          1H2         G  39  -2.942 -28.458  -1.029
  421   2H2     G  39          2H2         G  39  -3.071 -28.261   0.705
  422   1H5*    U  40          1H5*        U  40  -2.787 -32.140   6.334
  423   2H5*    U  40          2H5*        U  40  -3.234 -33.840   6.577
  424    H4*    U  40           H4*        U  40  -4.969 -32.517   5.368
  425    H3*    U  40           H3*        U  40  -3.697 -34.934   4.120
  426    H2*    U  40           H2*        U  40  -4.689 -34.557   2.039
  427   2HO*    U  40          2HO*        U  40  -6.615 -33.614   1.789
  428    H1*    U  40           H1*        U  40  -4.679 -31.802   1.993
  429    H3     U  40           H3         U  40  -1.790 -33.083  -1.286
  430    H5     U  40           H5         U  40   0.399 -33.487   2.292
  431    H6     U  40           H6         U  40  -1.647 -33.037   3.519
  432   1H5*    C  41          1H5*        C  41  -7.777 -35.330   3.443
  433   2H5*    C  41          2H5*        C  41  -8.443 -36.961   3.669
  434    H4*    C  41           H4*        C  41  -8.822 -36.122   1.381
  435    H3*    C  41           H3*        C  41  -7.027 -38.519   1.755
  436    H2*    C  41           H2*        C  41  -6.543 -38.589  -0.530
  437   2HO*    C  41          2HO*        C  41  -7.886 -37.437  -2.062
  438    H1*    C  41           H1*        C  41  -6.638 -35.855  -1.066
  439   1H4     C  41          1H4         C  41  -0.436 -37.251  -0.902
  440   2H4     C  41          2H4         C  41  -0.475 -37.333   0.845
  441    H5     C  41           H5         C  41  -2.500 -37.124   2.131
  442    H6     C  41           H6         C  41  -4.925 -36.781   2.022
  443   1H5*    C  42          1H5*        C  42  -9.913 -39.414  -1.222
  444   2H5*    C  42          2H5*        C  42 -10.824 -40.896  -0.871
  445    H4*    C  42           H4*        C  42 -10.166 -41.030  -3.157
  446    H3*    C  42           H3*        C  42  -8.510 -42.770  -1.335
  447    H2*    C  42           H2*        C  42  -7.106 -43.408  -3.106
  448   2HO*    C  42          2HO*        C  42  -7.945 -42.527  -5.336
  449    H1*    C  42           H1*        C  42  -7.001 -41.007  -4.445
  450   1H4     C  42          1H4         C  42  -1.754 -40.963  -0.847
  451   2H4     C  42          2H4         C  42  -2.707 -40.696   0.593
  452    H5     C  42           H5         C  42  -5.109 -40.633   0.594
  453    H6     C  42           H6         C  42  -7.126 -40.818  -0.783
  454   1H5*    U  43          1H5*        U  43  -8.829 -44.486  -4.840
  455   2H5*    U  43          2H5*        U  43  -9.253 -46.209  -4.831
  456    H4*    U  43           H4*        U  43  -7.157 -45.731  -6.077
  457    H3*    U  43           H3*        U  43  -7.044 -47.477  -3.627
  458    H2*    U  43           H2*        U  43  -4.751 -47.493  -3.635
  459   2HO*    U  43          2HO*        U  43  -5.165 -47.697  -6.382
  460    H1*    U  43           H1*        U  43  -4.400 -45.225  -5.429
  461    H3     U  43           H3         U  43  -1.061 -44.439  -2.510
  462    H5     U  43           H5         U  43  -4.549 -44.102  -0.162
  463    H6     U  43           H6         U  43  -5.828 -44.858  -2.081
  464    H3T    U  43           H3T        U  43  -8.005 -48.259  -5.536
  465   1H5*    G  44          1H5*        G  44  -6.818  45.692  -2.171
  466   2H5*    G  44          2H5*        G  44  -7.107  43.986  -2.571
  467    H4*    G  44           H4*        G  44  -6.241  45.144  -4.521
  468    H3*    G  44           H3*        G  44  -4.487  43.084  -3.228
  469    H2*    G  44           H2*        G  44  -2.617  43.630  -4.529
  470   2HO*    G  44          2HO*        G  44  -4.562  44.603  -6.305
  471    H1*    G  44           H1*        G  44  -2.904  46.342  -4.658
  472    H8     G  44           H8         G  44  -3.905  45.481  -1.160
  473    H1     G  44           H1         G  44   2.438  45.203  -2.007
  474   1H2     G  44          1H2         G  44   2.919  45.306  -4.170
  475   2H2     G  44          2H2         G  44   1.686  45.440  -5.402
  476    H5T    G  44           H5T        G  44  -6.050  43.890  -0.697
  477   1H5*    G  45          1H5*        G  45  -3.623  42.895  -6.826
  478   2H5*    G  45          2H5*        G  45  -3.708  41.359  -7.712
  479    H4*    G  45           H4*        G  45  -1.481  42.334  -7.918
  480    H3*    G  45           H3*        G  45  -1.711  39.796  -6.306
  481    H2*    G  45           H2*        G  45   0.523  39.899  -5.680
  482   2HO*    G  45          2HO*        G  45   1.841  41.535  -7.129
  483    H1*    G  45           H1*        G  45   0.887  42.710  -5.879
  484    H8     G  45           H8         G  45  -1.917  41.814  -3.516
  485    H1     G  45           H1         G  45   3.884  41.401  -0.828
  486   1H2     G  45          1H2         G  45   5.453  41.550  -2.388
  487   2H2     G  45          2H2         G  45   5.078  41.751  -4.085
  488   1H5*    G  46          1H5*        G  46   1.278  39.296  -8.435
  489   2H5*    G  46          2H5*        G  46   1.454  37.981  -9.614
  490    H4*    G  46           H4*        G  46   3.379  37.796  -8.292
  491    H3*    G  46           H3*        G  46   1.267  35.887  -7.277
  492    H2*    G  46           H2*        G  46   2.620  35.283  -5.481
  493   2HO*    G  46          2HO*        G  46   4.932  36.396  -6.677
  494    H1*    G  46           H1*        G  46   4.038  37.710  -5.211
  495    H8     G  46           H8         G  46   0.182  37.754  -5.164
  496    H1     G  46           H1         G  46   2.942  37.057   0.571
  497   1H2     G  46          1H2         G  46   5.139  36.826   0.324
  498   2H2     G  46          2H2         G  46   5.914  36.837  -1.242
  499   1H5*    A  47          1H5*        A  47   5.312  34.481  -7.479
  500   2H5*    A  47          2H5*        A  47   5.420  32.933  -8.341
  501    H4*    A  47           H4*        A  47   6.881  32.869  -6.414
  502    H3*    A  47           H3*        A  47   4.412  31.147  -6.236
  503    H2*    A  47           H2*        A  47   4.909  30.536  -4.032
  504   2HO*    A  47          2HO*        A  47   7.572  31.348  -4.628
  505    H1*    A  47           H1*        A  47   6.101  32.904  -3.182
  506    H8     A  47           H8         A  47   2.775  33.137  -5.125
  507   1H6     A  47          1H6         A  47   0.056  33.105   0.419
  508   2H6     A  47          2H6         A  47  -0.192  33.288  -1.304
  509    H2     A  47           H2         A  47   4.449  32.391   1.031
  510   1H5*    U  48          1H5*        U  48   7.542  28.978  -4.791
  511   2H5*    U  48          2H5*        U  48   7.493  27.238  -5.134
  512    H4*    U  48           H4*        U  48   7.430  27.835  -2.689
  513    H3*    U  48           H3*        U  48   5.309  26.158  -3.997
  514    H2*    U  48           H2*        U  48   3.903  26.243  -2.162
  515   2HO*    U  48          2HO*        U  48   6.312  26.143  -0.819
  516    H1*    U  48           H1*        U  48   4.816  28.646  -0.970
  517    H3     U  48           H3         U  48   0.406  29.503  -1.297
  518    H5     U  48           H5         U  48   1.706  29.388  -5.305
  519    H6     U  48           H6         U  48   3.878  28.656  -4.509
  520   1H5*    A  49          1H5*        A  49   8.427  23.711  -0.808
  521   2H5*    A  49          2H5*        A  49   7.747  22.074  -0.703
  522    H4*    A  49           H4*        A  49   8.110  24.081   1.382
  523    H3*    A  49           H3*        A  49   8.482  21.362   1.239
  524    H2*    A  49           H2*        A  49   6.267  20.623   1.311
  525   2HO*    A  49          2HO*        A  49   7.224  21.023   3.882
  526    H1*    A  49           H1*        A  49   5.271  22.786   3.101
  527    H8     A  49           H8         A  49   4.812  22.095  -0.705
  528   1H6     A  49          1H6         A  49  -1.086  20.985   0.768
  529   2H6     A  49          2H6         A  49   0.072  21.090  -0.537
  530    H2     A  49           H2         A  49   1.154  21.828   4.568
  531   1H5*    U  50          1H5*        U  50   9.196  20.302   7.048
  532   2H5*    U  50          2H5*        U  50   9.040  19.296   5.594
  533    H4*    U  50           H4*        U  50   7.242  18.925   7.300
  534    H3*    U  50           H3*        U  50   6.850  19.342   4.468
  535    H2*    U  50           H2*        U  50   5.234  20.972   4.590
  536   2HO*    U  50          2HO*        U  50   3.217  20.042   5.762
  537    H1*    U  50           H1*        U  50   4.557  20.458   7.458
  538    H3     U  50           H3         U  50   5.660  25.216   8.079
  539    H5     U  50           H5         U  50   2.817  24.489   5.052
  540    H6     U  50           H6         U  50   3.401  22.135   5.160
  541   1H5*    G  51          1H5*        G  51   2.246  19.056   6.975
  542   2H5*    G  51          2H5*        G  51   2.143  17.456   7.736
  543    H4*    G  51           H4*        G  51   0.079  17.739   6.617
  544    H3*    G  51           H3*        G  51   1.997  15.962   5.154
  545    H2*    G  51           H2*        G  51   0.741  15.906   3.208
  546   2HO*    G  51          2HO*        G  51  -1.572  16.610   3.336
  547    H1*    G  51           H1*        G  51  -0.458  18.414   3.307
  548    H8     G  51           H8         G  51   3.184  18.917   3.966
  549    H1     G  51           H1         G  51   1.975  17.779  -2.214
  550   1H2     G  51          1H2         G  51  -0.111  17.094  -2.474
  551   2H2     G  51          2H2         G  51  -1.215  16.913  -1.127
  552   1H5*    G  52          1H5*        G  52   2.344  11.791   5.044
  553   2H5*    G  52          2H5*        G  52   3.334  12.825   3.995
  554    H4*    G  52           H4*        G  52   0.452  11.984   3.639
  555    H3*    G  52           H3*        G  52   3.019  11.457   2.213
  556    H2*    G  52           H2*        G  52   2.200  11.956   0.082
  557   2HO*    G  52          2HO*        G  52  -0.452  12.292   0.544
  558    H1*    G  52           H1*        G  52   0.584  14.051   0.627
  559    H8     G  52           H8         G  52   3.152  15.001   2.987
  560    H1     G  52           H1         G  52   5.434  15.334  -2.986
  561   1H2     G  52          1H2         G  52   4.078  14.252  -4.375
  562   2H2     G  52          2H2         G  52   2.623  13.447  -3.833
  563   1H5*    A  53          1H5*        A  53   0.758   9.027   0.480
  564   2H5*    A  53          2H5*        A  53   0.798   7.253   0.540
  565    H4*    A  53           H4*        A  53   1.036   7.753  -1.741
  566    H3*    A  53           H3*        A  53   3.729   7.219  -0.490
  567    H2*    A  53           H2*        A  53   4.831   7.788  -2.473
  568   2HO*    A  53          2HO*        A  53   2.908   8.060  -4.296
  569    H1*    A  53           H1*        A  53   3.079   9.752  -3.387
  570    H8     A  53           H8         A  53   3.871  10.371   0.253
  571   1H6     A  53          1H6         A  53   9.046  13.155  -1.663
  572   2H6     A  53          2H6         A  53   8.014  12.833  -0.288
  573    H2     A  53           H2         A  53   7.174  11.122  -5.205
  574   1H5*    A  54          1H5*        A  54   3.503   5.636  -4.074
  575   2H5*    A  54          2H5*        A  54   3.777   3.894  -4.276
  576    H4*    A  54           H4*        A  54   5.019   5.051  -5.978
  577    H3*    A  54           H3*        A  54   6.728   3.914  -3.762
  578    H2*    A  54           H2*        A  54   8.657   4.829  -4.738
  579   2HO*    A  54          2HO*        A  54   8.356   5.786  -6.984
  580    H1*    A  54           H1*        A  54   7.563   7.187  -5.680
  581    H8     A  54           H8         A  54   6.424   6.322  -2.133
  582   1H6     A  54          1H6         A  54  11.389   9.473  -0.215
  583   2H6     A  54          2H6         A  54   9.915   8.673   0.284
  584    H2     A  54           H2         A  54  11.661   9.041  -4.677
  585   1H5*    G  55          1H5*        G  55   8.393   2.011  -7.447
  586   2H5*    G  55          2H5*        G  55   8.925   0.374  -7.011
  587    H4*    G  55           H4*        G  55  10.764   1.780  -7.907
  588    H3*    G  55           H3*        G  55  10.954   0.817  -5.043
  589    H2*    G  55           H2*        G  55  13.018   1.923  -4.808
  590   2HO*    G  55          2HO*        G  55  14.389   2.192  -6.424
  591    H1*    G  55           H1*        G  55  12.437   4.136  -6.370
  592    H8     G  55           H8         G  55   9.689   3.088  -3.899
  593    H1     G  55           H1         G  55  14.209   6.865  -1.412
  594   1H2     G  55          1H2         G  55  15.846   7.160  -2.886
  595   2H2     G  55          2H2         G  55  15.823   6.415  -4.468
  596   1H5*    A  56          1H5*        A  56  14.532   0.436  -6.783
  597   2H5*    A  56          2H5*        A  56  15.171  -1.218  -6.758
  598    H4*    A  56           H4*        A  56  16.959   0.186  -6.074
  599    H3*    A  56           H3*        A  56  15.664  -1.176  -3.704
  600    H2*    A  56           H2*        A  56  17.142  -0.062  -2.258
  601   2HO*    A  56          2HO*        A  56  18.746   0.266  -4.576
  602    H1*    A  56           H1*        A  56  17.319   2.336  -3.661
  603    H8     A  56           H8         A  56  13.820   0.810  -3.122
  604   1H6     A  56          1H6         A  56  13.509   4.393   1.880
  605   2H6     A  56          2H6         A  56  12.633   3.311   0.825
  606    H2     A  56           H2         A  56  17.680   4.716   0.219
  607   1H5*    A  57          1H5*        A  57  19.781  -1.744  -3.345
  608   2H5*    A  57          2H5*        A  57  20.221  -3.432  -3.017
  609    H4*    A  57           H4*        A  57  21.306  -2.089  -1.365
  610    H3*    A  57           H3*        A  57  18.860  -3.494  -0.254
  611    H2*    A  57           H2*        A  57  19.322  -2.540   1.855
  612   2HO*    A  57          2HO*        A  57  21.398  -2.742   2.303
  613    H1*    A  57           H1*        A  57  20.145  -0.062   0.940
  614    H8     A  57           H8         A  57  17.049  -1.625  -0.753
  615   1H6     A  57          1H6         A  57  13.743   1.430   3.461
  616   2H6     A  57          2H6         A  57  13.680   0.442   2.021
  617    H2     A  57           H2         A  57  18.092   1.954   4.477
  618   1H5*    C  58          1H5*        C  58  21.859  -4.551   2.464
  619   2H5*    C  58          2H5*        C  58  21.693  -6.245   2.967
  620    H4*    C  58           H4*        C  58  21.561  -4.734   4.895
  621    H3*    C  58           H3*        C  58  19.012  -6.197   4.164
  622    H2*    C  58           H2*        C  58  17.897  -5.120   5.907
  623   2HO*    C  58          2HO*        C  58  20.122  -4.111   7.224
  624    H1*    C  58           H1*        C  58  19.469  -2.756   5.942
  625   1H4     C  58          1H4         C  58  13.775  -0.836   3.873
  626   2H4     C  58          2H4         C  58  13.985  -1.709   2.370
  627    H5     C  58           H5         C  58  15.910  -3.081   1.898
  628    H6     C  58           H6         C  58  18.007  -3.978   2.793
  629   1H5*    C  59          1H5*        C  59  19.575  -6.524   8.267
  630   2H5*    C  59          2H5*        C  59  19.094  -8.111   8.900
  631    H4*    C  59           H4*        C  59  17.856  -6.262   9.976
  632    H3*    C  59           H3*        C  59  16.281  -8.204   8.272
  633    H2*    C  59           H2*        C  59  14.325  -7.011   8.712
  634   2HO*    C  59          2HO*        C  59  15.593  -5.697  10.892
  635    H1*    C  59           H1*        C  59  15.505  -4.460   8.999
  636   1H4     C  59          1H4         C  59  12.251  -4.232   3.545
  637   2H4     C  59          2H4         C  59  13.334  -5.387   2.797
  638    H5     C  59           H5         C  59  15.179  -6.419   3.967
  639    H6     C  59           H6         C  59  16.329  -6.620   6.124
  640   1H5*    G  60          1H5*        G  60  15.175  -8.141  13.004
  641   2H5*    G  60          2H5*        G  60  14.520  -9.770  13.264
  642    H4*    G  60           H4*        G  60  13.201  -7.959  14.374
  643    H3*    G  60           H3*        G  60  11.897  -9.723  12.299
  644    H2*    G  60           H2*        G  60   9.882  -8.531  12.495
  645   2HO*    G  60          2HO*        G  60  10.766  -8.168  15.046
  646    H1*    G  60           H1*        G  60  10.944  -6.004  12.816
  647    H8     G  60           H8         G  60  12.890  -7.810  10.136
  648    H1     G  60           H1         G  60   7.298  -5.500   8.049
  649   1H2     G  60          1H2         G  60   6.074  -4.807   9.766
  650   2H2     G  60          2H2         G  60   6.634  -4.912  11.421
  651   1H5*    G  61          1H5*        G  61   8.843  -9.079  14.455
  652   2H5*    G  61          2H5*        G  61   8.561 -10.495  15.483
  653    H4*    G  61           H4*        G  61   6.420 -10.085  14.735
  654    H3*    G  61           H3*        G  61   7.674 -11.953  12.715
  655    H2*    G  61           H2*        G  61   5.805 -11.761  11.338
  656   2HO*    G  61          2HO*        G  61   4.048 -10.590  13.112
  657    H1*    G  61           H1*        G  61   4.978  -9.169  12.166
  658    H8     G  61           H8         G  61   8.519  -9.135  10.887
  659    H1     G  61           H1         G  61   4.165  -9.055   6.191
  660   1H2     G  61          1H2         G  61   2.146  -9.471   7.023
  661   2H2     G  61          2H2         G  61   1.875  -9.769   8.725
  662   1H5*    G  62          1H5*        G  62   3.660 -12.772  13.010
  663   2H5*    G  62          2H5*        G  62   3.444 -14.444  13.563
  664    H4*    G  62           H4*        G  62   1.955 -14.081  11.716
  665    H3*    G  62           H3*        G  62   4.351 -15.791  11.066
  666    H2*    G  62           H2*        G  62   3.815 -15.827   8.809
  667   2HO*    G  62          2HO*        G  62   1.223 -14.968   8.840
  668    H1*    G  62           H1*        G  62   2.327 -13.404   8.682
  669    H8     G  62           H8         G  62   5.992 -13.400   9.877
  670    H1     G  62           H1         G  62   5.216 -12.391   3.602
  671   1H2     G  62          1H2         G  62   3.084 -12.649   3.046
  672   2H2     G  62          2H2         G  62   1.854 -13.071   4.217
  673   1H5*    G  63          1H5*        G  63   4.421 -20.073  10.219
  674   2H5*    G  63          2H5*        G  63   5.696 -18.990   9.624
  675    H4*    G  63           H4*        G  63   2.878 -19.333   8.579
  676    H3*    G  63           H3*        G  63   5.613 -19.920   7.530
  677    H2*    G  63           H2*        G  63   5.263 -18.903   5.450
  678   2HO*    G  63          2HO*        G  63   2.479 -19.050   6.047
  679    H1*    G  63           H1*        G  63   3.778 -16.752   6.184
  680    H8     G  63           H8         G  63   6.071 -16.857   9.053
  681    H1     G  63           H1         G  63   9.207 -15.264   3.706
  682   1H2     G  63          1H2         G  63   7.934 -15.638   1.940
  683   2H2     G  63          2H2         G  63   6.315 -16.284   2.069
  684   1H5*    A  64          1H5*        A  64   6.816 -23.886   6.994
  685   2H5*    A  64          2H5*        A  64   7.599 -22.321   6.695
  686    H4*    A  64           H4*        A  64   8.272 -24.317   5.206
  687    H3*    A  64           H3*        A  64   7.634 -21.546   4.288
  688    H2*    A  64           H2*        A  64   7.453 -22.115   2.027
  689   2HO*    A  64          2HO*        A  64   9.385 -23.224   1.801
  690    H1*    A  64           H1*        A  64   6.308 -24.584   2.209
  691    H8     A  64           H8         A  64   4.900 -22.186   4.831
  692   1H6     A  64          1H6         A  64   0.743 -20.571   0.571
  693   2H6     A  64          2H6         A  64   1.221 -20.419   2.247
  694    H2     A  64           H2         A  64   3.785 -23.214  -1.413
  695   1H5*    A  65          1H5*        A  65  10.924 -19.644   1.520
  696   2H5*    A  65          2H5*        A  65   9.624 -18.539   2.008
  697    H4*    A  65           H4*        A  65   9.834 -20.302  -0.333
  698    H3*    A  65           H3*        A  65   8.406 -17.761   0.386
  699    H2*    A  65           H2*        A  65   6.568 -18.218  -0.970
  700   2HO*    A  65          2HO*        A  65   7.446 -20.395  -2.360
  701    H1*    A  65           H1*        A  65   6.447 -20.961  -0.736
  702    H8     A  65           H8         A  65   6.912 -20.125   2.779
  703   1H6     A  65          1H6         A  65   1.084 -18.100   2.994
  704   2H6     A  65          2H6         A  65   2.475 -18.579   3.940
  705    H2     A  65           H2         A  65   2.242 -18.524  -1.331
  706   1H5*    A  66          1H5*        A  66   8.803 -15.871  -4.574
  707   2H5*    A  66          2H5*        A  66   8.568 -14.535  -3.429
  708    H4*    A  66           H4*        A  66   6.762 -15.399  -5.365
  709    H3*    A  66           H3*        A  66   6.586 -13.560  -2.998
  710    H2*    A  66           H2*        A  66   4.240 -13.640  -2.933
  711   2HO*    A  66          2HO*        A  66   3.084 -14.652  -4.761
  712    H1*    A  66           H1*        A  66   3.851 -16.267  -3.504
  713    H8     A  66           H8         A  66   6.969 -15.719  -1.356
  714   1H6     A  66          1H6         A  66   3.219 -16.209   3.527
  715   2H6     A  66          2H6         A  66   4.888 -16.123   3.003
  716    H2     A  66           H2         A  66   0.664 -16.096  -0.180
  717   1H5*    C  67          1H5*        C  67   4.387 -11.673  -5.351
  718   2H5*    C  67          2H5*        C  67   4.342  -9.899  -5.368
  719    H4*    C  67           H4*        C  67   2.409 -10.926  -4.178
  720    H3*    C  67           H3*        C  67   4.308  -9.155  -2.623
  721    H2*    C  67           H2*        C  67   3.027  -9.490  -0.679
  722   2HO*    C  67          2HO*        C  67   0.981 -10.261  -2.489
  723    H1*    C  67           H1*        C  67   2.352 -12.148  -1.133
  724   1H4     C  67          1H4         C  67   7.164 -12.305   3.035
  725   2H4     C  67          2H4         C  67   8.312 -11.943   1.764
  726    H5     C  67           H5         C  67   7.661 -11.484  -0.510
  727    H6     C  67           H6         C  67   5.770 -11.250  -2.051
  728   1H5*    U  68          1H5*        U  68   0.837  -8.233  -1.556
  729   2H5*    U  68          2H5*        U  68   0.286  -6.546  -1.602
  730    H4*    U  68           H4*        U  68  -0.118  -7.393   0.608
  731    H3*    U  68           H3*        U  68   2.248  -5.514   0.466
  732    H2*    U  68           H2*        U  68   2.626  -5.812   2.761
  733   2HO*    U  68          2HO*        U  68   0.237  -7.163   3.286
  734    H1*    U  68           H1*        U  68   1.780  -8.482   2.939
  735    H3     U  68           H3         U  68   6.113  -8.746   4.208
  736    H5     U  68           H5         U  68   6.314  -7.899   0.085
  737    H6     U  68           H6         U  68   3.903  -7.629   0.089
  738   1H5*    U  69          1H5*        U  69   0.237  -4.717   3.608
  739   2H5*    U  69          2H5*        U  69  -0.375  -3.071   3.859
  740    H4*    U  69           H4*        U  69   0.697  -3.620   5.882
  741    H3*    U  69           H3*        U  69   2.582  -1.999   4.151
  742    H2*    U  69           H2*        U  69   4.234  -2.215   5.778
  743   2HO*    U  69          2HO*        U  69   2.055  -2.531   7.559
  744    H1*    U  69           H1*        U  69   3.362  -4.697   6.856
  745    H3     U  69           H3         U  69   7.635  -5.724   5.891
  746    H5     U  69           H5         U  69   5.977  -4.824   2.126
  747    H6     U  69           H6         U  69   3.931  -4.174   3.254
  748   1H5*    G  70          1H5*        G  70   2.703  -0.793   8.085
  749   2H5*    G  70          2H5*        G  70   3.024   0.939   8.295
  750    H4*    G  70           H4*        G  70   4.733  -0.457   9.391
  751    H3*    G  70           H3*        G  70   5.682   1.173   7.013
  752    H2*    G  70           H2*        G  70   7.836   0.364   7.415
  753   2HO*    G  70          2HO*        G  70   8.523   0.479   9.390
  754    H1*    G  70           H1*        G  70   7.018  -2.104   8.587
  755    H8     G  70           H8         G  70   5.979  -1.155   4.986
  756    H1     G  70           H1         G  70  11.430  -4.470   5.521
  757   1H2     G  70          1H2         G  70  11.942  -4.725   7.669
  758   2H2     G  70          2H2         G  70  10.940  -4.080   8.951
  759   1H5*    G  71          1H5*        G  71   7.427   2.363  11.290
  760   2H5*    G  71          2H5*        G  71   7.785   4.096  11.146
  761    H4*    G  71           H4*        G  71   9.589   2.935  12.321
  762    H3*    G  71           H3*        G  71  10.219   4.063   9.594
  763    H2*    G  71           H2*        G  71  12.405   3.196   9.686
  764   2HO*    G  71          2HO*        G  71  12.032   3.499  12.374
  765    H1*    G  71           H1*        G  71  11.833   0.782  10.834
  766    H8     G  71           H8         G  71   9.140   1.839   8.345
  767    H1     G  71           H1         G  71  14.184  -1.021   5.634
  768   1H2     G  71          1H2         G  71  15.782  -1.320   7.142
  769   2H2     G  71          2H2         G  71  15.621  -0.801   8.803
  770   1H5*    U  72          1H5*        U  72  13.367   5.764  11.917
  771   2H5*    U  72          2H5*        U  72  13.330   7.528  11.726
  772    H4*    U  72           H4*        U  72  15.552   6.822  11.218
  773    H3*    U  72           H3*        U  72  13.944   7.468   8.739
  774    H2*    U  72           H2*        U  72  15.754   6.857   7.386
  775   2HO*    U  72          2HO*        U  72  17.180   7.787   9.522
  776    H1*    U  72           H1*        U  72  16.773   4.808   8.983
  777    H3     U  72           H3         U  72  15.592   2.636   5.183
  778    H5     U  72           H5         U  72  11.909   3.652   6.974
  779    H6     U  72           H6         U  72  13.140   4.932   8.628
  780   1H5*    U  73          1H5*        U  73  18.032   9.498   8.723
  781   2H5*    U  73          2H5*        U  73  17.795  11.057   7.917
  782    H4*    U  73           H4*        U  73  19.683   9.727   6.978
  783    H3*    U  73           H3*        U  73  17.342  10.364   5.159
  784    H2*    U  73           H2*        U  73  18.526   9.326   3.384
  785   2HO*    U  73          2HO*        U  73  20.810   9.142   5.079
  786    H1*    U  73           H1*        U  73  19.438   7.180   4.837
  787    H3     U  73           H3         U  73  16.255   5.349   2.190
  788    H5     U  73           H5         U  73  14.073   7.463   5.114
  789    H6     U  73           H6         U  73  16.168   8.389   5.914
  790   1H5*    C  74          1H5*        C  74  20.628  11.334   2.787
  791   2H5*    C  74          2H5*        C  74  20.270  12.861   1.959
  792    H4*    C  74           H4*        C  74  20.770  10.994   0.392
  793    H3*    C  74           H3*        C  74  17.974  12.176   0.285
  794    H2*    C  74           H2*        C  74  17.550  10.759  -1.569
  795   2HO*    C  74          2HO*        C  74  19.224  10.848  -2.900
  796    H1*    C  74           H1*        C  74  18.910   8.549  -0.579
  797   1H4     C  74          1H4         C  74  12.822   7.374   0.834
  798   2H4     C  74          2H4         C  74  12.889   8.493   2.176
  799    H5     C  74           H5         C  74  14.821   9.857   2.664
  800    H6     C  74           H6         C  74  17.095  10.440   1.967
  801   1H5*    U  75          1H5*        U  75  19.612  12.981  -3.306
  802   2H5*    U  75          2H5*        U  75  19.045  14.366  -4.261
  803    H4*    U  75           H4*        U  75  18.303  12.205  -5.214
  804    H3*    U  75           H3*        U  75  16.219  14.124  -4.164
  805    H2*    U  75           H2*        U  75  14.526  12.601  -4.613
  806   2HO*    U  75          2HO*        U  75  14.833  12.233  -6.750
  807    H1*    U  75           H1*        U  75  16.057  10.225  -4.380
  808    H3     U  75           H3         U  75  12.601   9.486  -1.576
  809    H5     U  75           H5         U  75  14.813  12.523   0.322
  810    H6     U  75           H6         U  75  16.216  12.644  -1.651
  811   1H5*    U  76          1H5*        U  76  15.603  13.265  -8.370
  812   2H5*    U  76          2H5*        U  76  15.135  14.648  -9.378
  813    H4*    U  76           H4*        U  76  13.595  12.779  -9.723
  814    H3*    U  76           H3*        U  76  12.529  15.268  -8.418
  815    H2*    U  76           H2*        U  76  10.513  14.281  -7.847
  816   2HO*    U  76          2HO*        U  76  10.777  13.250 -10.300
  817    H1*    U  76           H1*        U  76  11.321  11.574  -7.732
  818    H3     U  76           H3         U  76   9.491  12.139  -3.642
  819    H5     U  76           H5         U  76  12.964  14.520  -3.537
  820    H6     U  76           H6         U  76  13.278  14.049  -5.894
  821   1H5*    C  77          1H5*        C  77   8.502  16.848 -11.433
  822   2H5*    C  77          2H5*        C  77   8.952  16.914  -9.717
  823    H4*    C  77           H4*        C  77   7.120  14.884 -11.038
  824    H3*    C  77           H3*        C  77   6.598  17.282  -9.292
  825    H2*    C  77           H2*        C  77   5.048  16.111  -8.000
  826   2HO*    C  77          2HO*        C  77   4.887  14.063  -9.963
  827    H1*    C  77           H1*        C  77   6.173  13.563  -8.146
  828   1H4     C  77          1H4         C  77   7.531  15.909  -2.356
  829   2H4     C  77          2H4         C  77   8.989  16.625  -3.005
  830    H5     C  77           H5         C  77   9.547  16.586  -5.346
  831    H6     C  77           H6         C  77   8.818  15.880  -7.576
  832   1H5*    C  78          1H5*        C  78   3.129  15.606  -9.981
  833   2H5*    C  78          2H5*        C  78   2.171  16.464 -11.206
  834    H4*    C  78           H4*        C  78   0.576  15.771  -9.630
  835    H3*    C  78           H3*        C  78   1.357  18.640  -9.237
  836    H2*    C  78           H2*        C  78   0.319  18.815  -7.172
  837   2HO*    C  78          2HO*        C  78  -1.614  17.646  -8.366
  838    H1*    C  78           H1*        C  78   0.463  16.151  -6.307
  839   1H4     C  78          1H4         C  78   4.747  19.196  -2.711
  840   2H4     C  78          2H4         C  78   5.832  19.322  -4.075
  841    H5     C  78           H5         C  78   5.261  18.591  -6.290
  842    H6     C  78           H6         C  78   3.506  17.618  -7.696
  843   1H5*    U  79          1H5*        U  79  -2.452  21.407  -8.826
  844   2H5*    U  79          2H5*        U  79  -0.992  21.743  -7.873
  845    H4*    U  79           H4*        U  79  -3.578  20.457  -6.976
  846    H3*    U  79           H3*        U  79  -2.098  22.977  -6.297
  847    H2*    U  79           H2*        U  79  -2.405  22.724  -3.999
  848   2HO*    U  79          2HO*        U  79  -4.585  21.057  -4.730
  849    H1*    U  79           H1*        U  79  -2.320  19.971  -3.793
  850    H3     U  79           H3         U  79   1.271  21.833  -1.584
  851    H5     U  79           H5         U  79   2.499  21.301  -5.581
  852    H6     U  79           H6         U  79   0.200  20.765  -6.147
  853   1H5*    A  80          1H5*        A  80  -6.558  25.687  -4.353
  854   2H5*    A  80          2H5*        A  80  -5.045  26.499  -4.800
  855    H4*    A  80           H4*        A  80  -5.959  25.466  -2.155
  856    H3*    A  80           H3*        A  80  -5.361  28.000  -3.082
  857    H2*    A  80           H2*        A  80  -3.041  27.814  -3.303
  858   2HO*    A  80          2HO*        A  80  -3.316  29.242  -1.532
  859    H1*    A  80           H1*        A  80  -2.698  25.938  -1.004
  860    H8     A  80           H8         A  80  -2.304  25.921  -4.893
  861   1H6     A  80          1H6         A  80   3.474  24.074  -3.744
  862   2H6     A  80          2H6         A  80   2.310  24.467  -4.989
  863    H2     A  80           H2         A  80   1.398  24.644   0.201
  864   1H5*    A  81          1H5*        A  81  -8.468  29.362   1.531
  865   2H5*    A  81          2H5*        A  81  -6.758  29.827   1.427
  866    H4*    A  81           H4*        A  81  -8.157  28.624   3.612
  867    H3*    A  81           H3*        A  81  -5.376  29.647   3.118
  868    H2*    A  81           H2*        A  81  -4.445  28.344   4.820
  869   2HO*    A  81          2HO*        A  81  -5.761  28.807   6.520
  870    H1*    A  81           H1*        A  81  -5.992  26.083   4.584
  871    H8     A  81           H8         A  81  -5.340  26.717   1.042
  872   1H6     A  81          1H6         A  81   0.486  24.826   1.847
  873   2H6     A  81          2H6         A  81  -0.747  25.222   0.672
  874    H2     A  81           H2         A  81  -1.338  25.461   5.907
  875   1H5*    G  82          1H5*        G  82  -5.359  31.647   7.285
  876   2H5*    G  82          2H5*        G  82  -4.125  32.842   6.836
  877    H4*    G  82           H4*        G  82  -3.640  30.696   8.417
  878    H3*    G  82           H3*        G  82  -1.886  32.367   6.676
  879    H2*    G  82           H2*        G  82  -0.171  30.800   6.501
  880   2HO*    G  82          2HO*        G  82  -0.704  30.399   9.024
  881    H1*    G  82           H1*        G  82  -1.586  28.457   6.512
  882    H8     G  82           H8         G  82  -3.701  30.507   4.296
  883    H1     G  82           H1         G  82   1.799  28.888   1.446
  884   1H2     G  82          1H2         G  82   3.233  28.114   2.953
  885   2H2     G  82          2H2         G  82   2.838  27.995   4.653
  886   1H5*    U  83          1H5*        U  83   1.210  31.834   9.805
  887   2H5*    U  83          2H5*        U  83   1.596  33.525  10.182
  888    H4*    U  83           H4*        U  83   3.577  32.213   9.455
  889    H3*    U  83           H3*        U  83   2.677  34.619   7.897
  890    H2*    U  83           H2*        U  83   4.195  34.229   6.166
  891   2HO*    U  83          2HO*        U  83   5.624  32.791   8.138
  892    H1*    U  83           H1*        U  83   4.216  31.466   6.168
  893    H3     U  83           H3         U  83   2.386  32.664   2.176
  894    H5     U  83           H5         U  83  -0.735  33.135   4.967
  895    H6     U  83           H6         U  83   0.873  32.718   6.737
  896   1H5*    C  84          1H5*        C  84   6.646  34.708   8.062
  897   2H5*    C  84          2H5*        C  84   7.464  36.229   8.475
  898    H4*    C  84           H4*        C  84   8.278  35.437   6.334
  899    H3*    C  84           H3*        C  84   6.508  37.883   6.222
  900    H2*    C  84           H2*        C  84   6.628  37.912   3.890
  901   2HO*    C  84          2HO*        C  84   8.342  37.199   2.766
  902    H1*    C  84           H1*        C  84   6.820  35.151   3.461
  903   1H4     C  84          1H4         C  84   0.866  36.639   1.806
  904   2H4     C  84          2H4         C  84   0.437  36.940   3.475
  905    H5     C  84           H5         C  84   2.018  36.816   5.291
  906    H6     C  84           H6         C  84   4.358  36.399   5.892
  907   1H5*    C  85          1H5*        C  85   9.938  38.336   3.847
  908   2H5*    C  85          2H5*        C  85  10.921  39.715   4.376
  909    H4*    C  85           H4*        C  85  10.928  39.778   2.003
  910    H3*    C  85           H3*        C  85   9.062  41.804   3.224
  911    H2*    C  85           H2*        C  85   8.255  42.449   1.120
  912   2HO*    C  85          2HO*        C  85   9.382  41.825  -0.826
  913    H1*    C  85           H1*        C  85   8.261  39.990  -0.122
  914   1H4     C  85          1H4         C  85   2.246  40.651   1.848
  915   2H4     C  85          2H4         C  85   2.721  40.308   3.495
  916    H5     C  85           H5         C  85   5.006  39.990   4.170
  917    H6     C  85           H6         C  85   7.336  39.933   3.418
  918   1H5*    U  86          1H5*        U  86  10.555  43.239  -0.124
  919   2H5*    U  86          2H5*        U  86  11.163  44.904  -0.056
  920    H4*    U  86           H4*        U  86   9.464  44.598  -1.825
  921    H3*    U  86           H3*        U  86   8.856  46.447   0.470
  922    H2*    U  86           H2*        U  86   6.656  46.641  -0.138
  923   2HO*    U  86          2HO*        U  86   7.603  47.521  -2.256
  924    H1*    U  86           H1*        U  86   6.627  44.393  -2.009
  925    H3     U  86           H3         U  86   2.517  43.853  -0.288
  926    H5     U  86           H5         U  86   5.042  43.487   3.072
  927    H6     U  86           H6         U  86   6.910  44.087   1.644
  928    H3T    U  86           H3T        U  86  10.104  46.542  -1.891
  929   1HO1  MN6 101          1HO1      MN6 101   0.142 -39.545   0.179
  930   2HO1  MN6 101          2HO1      MN6 101  -0.603 -40.683   0.961
  931   1HO2  MN6 101          1HO2      MN6 101   3.828 -42.817  -0.252
  932   2HO2  MN6 101          2HO2      MN6 101   3.288 -43.382   1.108
  933   1HO3  MN6 101          1HO3      MN6 101   2.938 -39.784   1.702
  934   2HO3  MN6 101          2HO3      MN6 101   1.443 -39.833   2.173
  935   1HO4  MN6 101          1HO4      MN6 101   1.840 -43.395  -1.267
  936   2HO4  MN6 101          2HO4      MN6 101   0.505 -43.509  -0.454
  937   1HO5  MN6 101          1HO5      MN6 101  -0.001 -43.006   1.573
  938   2HO5  MN6 101          2HO5      MN6 101   0.672 -42.071   2.636
  939   1HO6  MN6 101          1HO6      MN6 101   1.965 -40.013  -1.500
  940   2HO6  MN6 101          2HO6      MN6 101   3.338 -40.738  -1.279
  941   1HO1  MN6 102          1HO1      MN6 102   6.476 -27.766 -10.442
  942   2HO1  MN6 102          2HO1      MN6 102   7.690 -28.744 -10.608
  943   1HO2  MN6 102          1HO2      MN6 102   5.152 -31.479  -7.607
  944   2HO2  MN6 102          2HO2      MN6 102   3.897 -31.428  -8.544
  945   1HO3  MN6 102          1HO3      MN6 102   7.570 -29.162  -8.148
  946   2HO3  MN6 102          2HO3      MN6 102   7.078 -30.509  -7.514
  947   1HO4  MN6 102          1HO4      MN6 102   3.797 -29.628 -11.045
  948   2HO4  MN6 102          2HO4      MN6 102   3.963 -31.181 -10.912
  949   1HO5  MN6 102          1HO5      MN6 102   6.713 -32.386 -10.249
  950   2HO5  MN6 102          2HO5      MN6 102   7.869 -31.329 -10.335
  951   1HO6  MN6 102          1HO6      MN6 102   4.485 -29.095  -7.792
  952   2HO6  MN6 102          2HO6      MN6 102   4.190 -28.292  -9.106
  953   1HO1  MN6 103          1HO1      MN6 103  -7.797 -14.380  -1.417
  954   2HO1  MN6 103          2HO1      MN6 103  -9.029 -14.589  -2.364
  955   1HO2  MN6 103          1HO2      MN6 103  -8.717 -18.631   0.704
  956   2HO2  MN6 103          2HO2      MN6 103 -10.150 -18.625   0.071
  957   1HO3  MN6 103          1HO3      MN6 103 -10.426 -16.281  -2.771
  958   2HO3  MN6 103          2HO3      MN6 103 -10.758 -17.677  -2.137
  959   1HO4  MN6 103          1HO4      MN6 103  -6.773 -16.807   0.402
  960   2HO4  MN6 103          2HO4      MN6 103  -7.357 -15.375   0.657
  961   1HO5  MN6 103          1HO5      MN6 103 -10.912 -16.605   0.859
  962   2HO5  MN6 103          2HO5      MN6 103 -10.891 -15.220   0.123
  963   1HO6  MN6 103          1HO6      MN6 103  -8.378 -17.687  -2.869
  964   2HO6  MN6 103          2HO6      MN6 103  -7.164 -17.851  -1.891
  965   1HO1  MN6 104          1HO1      MN6 104 -10.245  -2.024   2.229
  966   2HO1  MN6 104          2HO1      MN6 104  -9.156  -0.904   2.358
  967   1HO2  MN6 104          1HO2      MN6 104  -8.351  -2.821  -2.071
  968   2HO2  MN6 104          2HO2      MN6 104  -9.341  -1.741  -2.632
  969   1HO3  MN6 104          1HO3      MN6 104  -8.554  -3.760   0.852
  970   2HO3  MN6 104          2HO3      MN6 104  -7.408  -3.218  -0.068
  971   1HO4  MN6 104          1HO4      MN6 104 -10.054   0.197  -1.671
  972   2HO4  MN6 104          2HO4      MN6 104  -9.937   0.807  -0.231
  973   1HO5  MN6 104          1HO5      MN6 104  -7.912   0.376   0.829
  974   2HO5  MN6 104          2HO5      MN6 104  -7.277  -0.037  -0.543
  975   1HO6  MN6 104          1HO6      MN6 104 -10.315  -3.700  -0.648
  976   2HO6  MN6 104          2HO6      MN6 104 -11.113  -3.038   0.528
  977   1HO1  MN6 105          1HO1      MN6 105 -14.837  11.601   7.730
  978   2HO1  MN6 105          2HO1      MN6 105 -13.946  11.664   9.017
  979   1HO2  MN6 105          1HO2      MN6 105 -10.317  10.654   5.996
  980   2HO2  MN6 105          2HO2      MN6 105 -11.028  11.480   4.870
  981   1HO3  MN6 105          1HO3      MN6 105 -12.814  14.142   7.477
  982   2HO3  MN6 105          2HO3      MN6 105 -11.261  13.925   7.445
  983   1HO4  MN6 105          1HO4      MN6 105 -13.298   9.772   5.784
  984   2HO4  MN6 105          2HO4      MN6 105 -13.525   9.572   7.321
  985   1HO5  MN6 105          1HO5      MN6 105 -13.062  12.052   4.513
  986   2HO5  MN6 105          2HO5      MN6 105 -13.732  13.186   5.362
  987   1HO6  MN6 105          1HO6      MN6 105 -10.410  11.292   8.323
  988   2HO6  MN6 105          2HO6      MN6 105 -11.303  12.362   9.040
  989   1HO1  MN6 106          1HO1      MN6 106  -2.900  40.127   3.532
  990   2HO1  MN6 106          2HO1      MN6 106  -2.604  39.184   2.315
  991   1HO2  MN6 106          1HO2      MN6 106  -0.033  43.525   1.686
  992   2HO2  MN6 106          2HO2      MN6 106  -1.172  43.496   0.610
  993   1HO3  MN6 106          1HO3      MN6 106  -1.651  43.271   3.585
  994   2HO3  MN6 106          2HO3      MN6 106  -0.424  42.428   4.074
  995   1HO4  MN6 106          1HO4      MN6 106  -2.498  40.842  -0.120
  996   2HO4  MN6 106          2HO4      MN6 106  -1.667  39.588   0.317
  997   1HO5  MN6 106          1HO5      MN6 106  -3.125  43.128   1.453
  998   2HO5  MN6 106          2HO5      MN6 106  -3.569  42.317   2.720
  999   1HO6  MN6 106          1HO6      MN6 106   0.569  40.681   3.314
 1000   2HO6  MN6 106          2HO6      MN6 106   0.490  39.752   2.053
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.421  32.641  -9.718
 1002   2HO1  MN6 107          2HO1      MN6 107  -1.383  33.886  -8.765
 1003   1HO2  MN6 107          1HO2      MN6 107  -1.915  30.268  -5.333
 1004   2HO2  MN6 107          2HO2      MN6 107  -3.026  31.359  -5.156
 1005   1HO3  MN6 107          1HO3      MN6 107  -4.321  31.860  -7.765
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.648  33.008  -8.596
 1007   1HO4  MN6 107          1HO4      MN6 107   0.174  30.471  -6.869
 1008   2HO4  MN6 107          2HO4      MN6 107   0.049  31.575  -5.763
 1009   1HO5  MN6 107          1HO5      MN6 107  -2.092  34.279  -6.652
 1010   2HO5  MN6 107          2HO5      MN6 107  -0.867  33.700  -5.864
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.869  30.584  -9.129
 1012   2HO6  MN6 107          2HO6      MN6 107  -1.355  30.187  -9.053
 1013   1HO1  MN6 108          1HO1      MN6 108   6.582  17.223   3.625
 1014   2HO1  MN6 108          2HO1      MN6 108   6.526  16.691   2.151
 1015   1HO2  MN6 108          1HO2      MN6 108  10.834  14.805   3.161
 1016   2HO2  MN6 108          2HO2      MN6 108  10.311  14.279   4.542
 1017   1HO3  MN6 108          1HO3      MN6 108   8.805  13.918   1.376
 1018   2HO3  MN6 108          2HO3      MN6 108   8.151  15.245   0.860
 1019   1HO4  MN6 108          1HO4      MN6 108   9.133  16.636   5.373
 1020   2HO4  MN6 108          2HO4      MN6 108   8.663  15.201   5.795
 1021   1HO5  MN6 108          1HO5      MN6 108   7.815  12.985   3.946
 1022   2HO5  MN6 108          2HO5      MN6 108   6.544  13.653   3.315
 1023   1HO6  MN6 108          1HO6      MN6 108   9.875  16.538   1.794
 1024   2HO6  MN6 108          2HO6      MN6 108   9.970  17.269   3.178
 1025   1HO1  MN6 109          1HO1      MN6 109   7.854   2.011   0.248
 1026   2HO1  MN6 109          2HO1      MN6 109   6.779   1.987   1.389
 1027   1HO2  MN6 109          1HO2      MN6 109  11.385   2.075   3.357
 1028   2HO2  MN6 109          2HO2      MN6 109  10.752   3.270   4.151
 1029   1HO3  MN6 109          1HO3      MN6 109  10.674   1.433   0.815
 1030   2HO3  MN6 109          2HO3      MN6 109   9.970   2.650   0.123
 1031   1HO4  MN6 109          1HO4      MN6 109   8.221   1.814   4.683
 1032   2HO4  MN6 109          2HO4      MN6 109   7.092   1.579   3.622
 1033   1HO5  MN6 109          1HO5      MN6 109   9.830   0.019   2.808
 1034   2HO5  MN6 109          2HO5      MN6 109   8.298   0.000   2.476
 1035   1HO6  MN6 109          1HO6      MN6 109   8.451   4.751   2.954
 1036   2HO6  MN6 109          2HO6      MN6 109   9.999   4.681   2.721
 1037   1HO1  MN6 110          1HO1      MN6 110   7.374 -11.520   9.481
 1038   2HO1  MN6 110          2HO1      MN6 110   8.047 -12.430  10.565
 1039   1HO2  MN6 110          1HO2      MN6 110  12.030 -12.103   7.610
 1040   2HO2  MN6 110          2HO2      MN6 110  11.323 -13.466   7.292
 1041   1HO3  MN6 110          1HO3      MN6 110   7.813 -11.031   7.434
 1042   2HO3  MN6 110          2HO3      MN6 110   8.944 -11.332   6.391
 1043   1HO4  MN6 110          1HO4      MN6 110  11.474 -13.435   9.764
 1044   2HO4  MN6 110          2HO4      MN6 110  10.268 -13.259  10.750
 1045   1HO5  MN6 110          1HO5      MN6 110   8.500 -14.251   9.239
 1046   2HO5  MN6 110          2HO5      MN6 110   9.606 -14.603   8.185
 1047   1HO6  MN6 110          1HO6      MN6 110   9.788  -9.739   8.042
 1048   2HO6  MN6 110          2HO6      MN6 110  10.087  -9.857   9.576
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   8.059 -43.819   0.280
    2   2H5*    G   1          2H5*        G   1   8.123 -42.182  -0.404
    3    H4*    G   1           H4*        G   1   7.978 -43.848  -2.183
    4    H3*    G   1           H3*        G   1   5.725 -41.923  -1.795
    5    H2*    G   1           H2*        G   1   4.247 -43.045  -3.210
    6   2HO*    G   1          2HO*        G   1   5.212 -44.817  -4.600
    7    H1*    G   1           H1*        G   1   4.921 -45.643  -2.699
    8    H8     G   1           H8         G   1   5.067 -44.257   0.707
    9    H1     G   1           H1         G   1  -0.966 -44.529  -1.423
   10   1H2     G   1          1H2         G   1  -0.981 -44.897  -3.612
   11   2H2     G   1          2H2         G   1   0.488 -45.075  -4.545
   12    H5T    G   1           H5T        G   1   5.799 -42.129  -0.022
   13   1H5*    G   2          1H5*        G   2   5.485 -42.577  -5.580
   14   2H5*    G   2          2H5*        G   2   5.601 -41.135  -6.608
   15    H4*    G   2           H4*        G   2   3.547 -42.409  -7.068
   16    H3*    G   2           H3*        G   2   3.259 -39.650  -5.880
   17    H2*    G   2           H2*        G   2   0.949 -39.894  -5.710
   18   2HO*    G   2          2HO*        G   2   1.329 -41.411  -7.985
   19    H1*    G   2           H1*        G   2   0.844 -42.693  -5.381
   20    H8     G   2           H8         G   2   3.172 -41.122  -2.864
   21    H1     G   2           H1         G   2  -2.999 -40.705  -1.201
   22   1H2     G   2          1H2         G   2  -4.286 -41.295  -2.905
   23   2H2     G   2          2H2         G   2  -3.631 -41.789  -4.451
   24   1H5*    G   3          1H5*        G   3   0.778 -39.636  -8.829
   25   2H5*    G   3          2H5*        G   3   0.896 -38.424 -10.121
   26    H4*    G   3           H4*        G   3  -1.322 -38.264  -9.314
   27    H3*    G   3           H3*        G   3   0.453 -36.085  -8.226
   28    H2*    G   3           H2*        G   3  -1.207 -35.321  -6.786
   29   2HO*    G   3          2HO*        G   3  -3.338 -35.417  -7.244
   30    H1*    G   3           H1*        G   3  -2.565 -37.742  -6.347
   31    H8     G   3           H8         G   3   1.240 -37.715  -5.795
   32    H1     G   3           H1         G   3  -2.228 -36.140  -0.651
   33   1H2     G   3          1H2         G   3  -4.364 -35.943  -1.212
   34   2H2     G   3          2H2         G   3  -4.936 -36.197  -2.844
   35   1H5*    A   4          1H5*        A   4  -3.529 -34.420  -9.790
   36   2H5*    A   4          2H5*        A   4  -3.098 -32.927 -10.649
   37    H4*    A   4           H4*        A   4  -4.995 -32.599  -9.101
   38    H3*    A   4           H3*        A   4  -2.424 -31.109  -8.596
   39    H2*    A   4           H2*        A   4  -3.242 -30.212  -6.598
   40   2HO*    A   4          2HO*        A   4  -5.725 -30.601  -7.843
   41    H1*    A   4           H1*        A   4  -4.820 -32.344  -5.775
   42    H8     A   4           H8         A   4  -1.251 -33.109  -7.029
   43   1H6     A   4          1H6         A   4   0.416 -32.750  -1.096
   44   2H6     A   4          2H6         A   4   0.946 -33.122  -2.720
   45    H2     A   4           H2         A   4  -3.914 -31.565  -1.387
   46   1H5*    U   5          1H5*        U   5  -5.409 -28.111  -8.015
   47   2H5*    U   5          2H5*        U   5  -4.680 -26.533  -8.378
   48    H4*    U   5           H4*        U   5  -5.333 -27.091  -5.920
   49    H3*    U   5           H3*        U   5  -2.773 -25.817  -6.848
   50    H2*    U   5           H2*        U   5  -1.757 -26.038  -4.780
   51   2HO*    U   5          2HO*        U   5  -4.294 -25.449  -3.931
   52    H1*    U   5           H1*        U   5  -3.247 -28.228  -3.762
   53    H3     U   5           H3         U   5   1.052 -29.567  -3.239
   54    H5     U   5           H5         U   5   0.394 -29.753  -7.399
   55    H6     U   5           H6         U   5  -1.750 -28.680  -7.043
   56   1H5*    A   6          1H5*        A   6  -7.457 -21.933  -6.148
   57   2H5*    A   6          2H5*        A   6  -5.720 -21.872  -5.788
   58    H4*    A   6           H4*        A   6  -7.560 -23.746  -4.299
   59    H3*    A   6           H3*        A   6  -7.971 -21.001  -4.150
   60    H2*    A   6           H2*        A   6  -5.963 -20.339  -3.174
   61   2HO*    A   6          2HO*        A   6  -6.141 -20.321  -0.939
   62    H1*    A   6           H1*        A   6  -5.557 -22.864  -1.631
   63    H8     A   6           H8         A   6  -3.783 -21.382  -4.757
   64   1H6     A   6          1H6         A   6   1.100 -20.740  -1.023
   65   2H6     A   6          2H6         A   6   0.511 -20.552  -2.658
   66    H2     A   6           H2         A   6  -2.323 -22.297   1.431
   67   1H5*    U   7          1H5*        U   7 -10.693 -21.561   1.322
   68   2H5*    U   7          2H5*        U   7 -10.054 -20.150   0.454
   69    H4*    U   7           H4*        U   7  -8.938 -20.672   2.665
   70    H3*    U   7           H3*        U   7  -7.612 -20.075   0.131
   71    H2*    U   7           H2*        U   7  -5.963 -21.657   0.276
   72   2HO*    U   7          2HO*        U   7  -4.411 -21.337   1.910
   73    H1*    U   7           H1*        U   7  -6.496 -22.356   3.131
   74    H3     U   7           H3         U   7  -7.341 -26.877   1.367
   75    H5     U   7           H5         U   7  -3.622 -25.251   0.235
   76    H6     U   7           H6         U   7  -4.405 -23.087   1.008
   77   1H5*    G   8          1H5*        G   8  -3.863 -20.536   3.535
   78   2H5*    G   8          2H5*        G   8  -4.107 -19.440   4.910
   79    H4*    G   8           H4*        G   8  -1.952 -18.873   4.413
   80    H3*    G   8           H3*        G   8  -3.717 -17.145   2.720
   81    H2*    G   8           H2*        G   8  -2.003 -16.462   1.302
   82   2HO*    G   8          2HO*        G   8  -0.314 -17.124   3.478
   83    H1*    G   8           H1*        G   8  -0.438 -18.727   1.261
   84    H8     G   8           H8         G   8  -4.001 -19.851   0.934
   85    H1     G   8           H1         G   8  -1.659 -17.472  -4.528
   86   1H2     G   8          1H2         G   8   0.276 -16.467  -4.150
   87   2H2     G   8          2H2         G   8   0.998 -16.382  -2.560
   88   1H5*    G   9          1H5*        G   9  -3.092 -12.724   2.769
   89   2H5*    G   9          2H5*        G   9  -3.954 -13.505   1.428
   90    H4*    G   9           H4*        G   9  -1.102 -12.542   1.558
   91    H3*    G   9           H3*        G   9  -3.496 -11.982  -0.152
   92    H2*    G   9           H2*        G   9  -2.296 -12.026  -2.159
   93   2HO*    G   9          2HO*        G   9  -0.159 -11.572  -2.304
   94    H1*    G   9           H1*        G   9  -0.520 -14.032  -1.626
   95    H8     G   9           H8         G   9  -3.441 -15.586  -0.114
   96    H1     G   9           H1         G   9  -4.241 -15.062  -6.446
   97   1H2     G   9          1H2         G   9  -2.720 -13.680  -7.288
   98   2H2     G   9          2H2         G   9  -1.516 -12.889  -6.297
   99   1H5*    A  10          1H5*        A  10  -0.850  -9.006  -1.411
  100   2H5*    A  10          2H5*        A  10  -1.557  -7.385  -1.240
  101    H4*    A  10           H4*        A  10  -0.708  -7.812  -3.526
  102    H3*    A  10           H3*        A  10  -3.651  -7.312  -3.111
  103    H2*    A  10           H2*        A  10  -4.125  -7.727  -5.360
  104   2HO*    A  10          2HO*        A  10  -2.872  -6.766  -6.737
  105    H1*    A  10           H1*        A  10  -2.186  -9.657  -5.872
  106    H8     A  10           H8         A  10  -3.910 -10.591  -2.668
  107   1H6     A  10          1H6         A  10  -8.438 -13.000  -6.117
  108   2H6     A  10          2H6         A  10  -7.782 -12.858  -4.499
  109    H2     A  10           H2         A  10  -5.730 -10.658  -8.828
  110   1H5*    A  11          1H5*        A  11  -1.865  -4.679  -6.165
  111   2H5*    A  11          2H5*        A  11  -2.630  -3.081  -6.274
  112    H4*    A  11           H4*        A  11  -2.510  -4.345  -8.448
  113    H3*    A  11           H3*        A  11  -5.173  -3.452  -7.329
  114    H2*    A  11           H2*        A  11  -6.283  -4.426  -9.167
  115   2HO*    A  11          2HO*        A  11  -3.784  -4.819 -10.468
  116    H1*    A  11           H1*        A  11  -4.733  -6.690  -9.386
  117    H8     A  11           H8         A  11  -5.368  -5.962  -5.717
  118   1H6     A  11          1H6         A  11 -10.744  -8.934  -6.410
  119   2H6     A  11          2H6         A  11  -9.629  -8.225  -5.261
  120    H2     A  11           H2         A  11  -8.948  -8.349 -10.489
  121   1H5*    G  12          1H5*        G  12  -5.406  -1.405 -11.200
  122   2H5*    G  12          2H5*        G  12  -5.998   0.227 -10.831
  123    H4*    G  12           H4*        G  12  -7.474  -1.006 -12.401
  124    H3*    G  12           H3*        G  12  -8.579  -0.208  -9.701
  125    H2*    G  12           H2*        G  12 -10.636  -1.213 -10.232
  126   2HO*    G  12          2HO*        G  12  -9.839  -1.399 -12.959
  127    H1*    G  12           H1*        G  12  -9.646  -3.348 -11.715
  128    H8     G  12           H8         G  12  -7.697  -2.917  -8.487
  129    H1     G  12           H1         G  12 -13.243  -6.023  -7.748
  130   1H2     G  12          1H2         G  12 -14.444  -5.878  -9.611
  131   2H2     G  12          2H2         G  12 -13.880  -5.020 -11.027
  132   1H5*    A  13          1H5*        A  13 -11.589   0.313 -11.844
  133   2H5*    A  13          2H5*        A  13 -11.896   2.028 -12.189
  134    H4*    A  13           H4*        A  13 -14.024   1.392 -11.651
  135    H3*    A  13           H3*        A  13 -12.715   2.074  -9.018
  136    H2*    A  13           H2*        A  13 -14.570   1.282  -7.834
  137   2HO*    A  13          2HO*        A  13 -16.535   0.768  -9.344
  138    H1*    A  13           H1*        A  13 -15.308  -0.787  -9.548
  139    H8     A  13           H8         A  13 -11.611  -0.367  -8.456
  140   1H6     A  13          1H6         A  13 -12.955  -4.564  -4.123
  141   2H6     A  13          2H6         A  13 -11.686  -3.598  -4.842
  142    H2     A  13           H2         A  13 -16.748  -3.576  -6.316
  143   1H5*    A  14          1H5*        A  14 -17.019   3.628  -9.682
  144   2H5*    A  14          2H5*        A  14 -17.087   5.216  -8.892
  145    H4*    A  14           H4*        A  14 -19.019   3.752  -8.323
  146    H3*    A  14           H3*        A  14 -17.153   4.676  -6.136
  147    H2*    A  14           H2*        A  14 -18.355   3.450  -4.534
  148   2HO*    A  14          2HO*        A  14 -20.427   4.158  -5.953
  149    H1*    A  14           H1*        A  14 -18.931   1.236  -6.072
  150    H8     A  14           H8         A  14 -15.379   2.714  -6.388
  151   1H6     A  14          1H6         A  14 -13.809  -1.257  -1.930
  152   2H6     A  14          2H6         A  14 -13.225  -0.064  -3.067
  153    H2     A  14           H2         A  14 -18.268  -1.504  -2.494
  154   1H5*    C  15          1H5*        C  15 -21.127   5.529  -4.540
  155   2H5*    C  15          2H5*        C  15 -21.039   7.148  -3.822
  156    H4*    C  15           H4*        C  15 -21.860   5.503  -2.199
  157    H3*    C  15           H3*        C  15 -19.127   6.680  -1.637
  158    H2*    C  15           H2*        C  15 -18.990   5.383   0.313
  159   2HO*    C  15          2HO*        C  15 -21.782   5.515   0.181
  160    H1*    C  15           H1*        C  15 -20.414   3.155  -0.623
  161   1H4     C  15          1H4         C  15 -14.351   1.258  -0.688
  162   2H4     C  15          2H4         C  15 -13.991   2.331  -2.021
  163    H5     C  15           H5         C  15 -15.598   3.860  -2.957
  164    H6     C  15           H6         C  15 -17.894   4.707  -2.804
  165   1H5*    C  16          1H5*        C  16 -21.111   6.571   1.612
  166   2H5*    C  16          2H5*        C  16 -21.113   7.966   2.710
  167    H4*    C  16           H4*        C  16 -20.317   6.080   3.951
  168    H3*    C  16           H3*        C  16 -18.101   7.975   3.147
  169    H2*    C  16           H2*        C  16 -16.522   6.567   4.146
  170   2HO*    C  16          2HO*        C  16 -18.543   6.166   5.903
  171    H1*    C  16           H1*        C  16 -17.859   4.126   3.700
  172   1H4     C  16          1H4         C  16 -13.021   3.949  -0.401
  173   2H4     C  16          2H4         C  16 -13.647   5.326  -1.279
  174    H5     C  16           H5         C  16 -15.633   6.523  -0.616
  175    H6     C  16           H6         C  16 -17.419   6.683   1.058
  176   1H5*    G  17          1H5*        G  17 -18.901   7.275   7.920
  177   2H5*    G  17          2H5*        G  17 -18.436   8.866   8.557
  178    H4*    G  17           H4*        G  17 -17.670   7.075  10.037
  179    H3*    G  17           H3*        G  17 -15.587   8.716   8.617
  180    H2*    G  17           H2*        G  17 -13.837   7.372   9.433
  181   2HO*    G  17          2HO*        G  17 -13.958   6.227  11.264
  182    H1*    G  17           H1*        G  17 -15.027   4.928   9.199
  183    H8     G  17           H8         G  17 -16.154   6.929   6.235
  184    H1     G  17           H1         G  17 -10.214   4.657   5.550
  185   1H2     G  17          1H2         G  17  -9.478   3.845   7.489
  186   2H2     G  17          2H2         G  17 -10.444   3.876   8.947
  187   1H5*    G  18          1H5*        G  18 -13.534   7.913  11.626
  188   2H5*    G  18          2H5*        G  18 -13.410   9.307  12.718
  189    H4*    G  18           H4*        G  18 -11.199   8.594  12.553
  190    H3*    G  18           H3*        G  18 -11.661  10.760  10.498
  191    H2*    G  18           H2*        G  18  -9.527  10.443   9.623
  192   2HO*    G  18          2HO*        G  18  -8.360   8.892  11.535
  193    H1*    G  18           H1*        G  18  -9.222   7.707  10.299
  194    H8     G  18           H8         G  18 -12.330   8.402   8.245
  195    H1     G  18           H1         G  18  -7.029   7.839   4.713
  196   1H2     G  18          1H2         G  18  -5.240   7.790   6.027
  197   2H2     G  18          2H2         G  18  -5.352   7.899   7.769
  198   1H5*    G  19          1H5*        G  19  -7.862  11.014  11.943
  199   2H5*    G  19          2H5*        G  19  -7.569  12.599  12.689
  200    H4*    G  19           H4*        G  19  -5.708  12.067  11.245
  201    H3*    G  19           H3*        G  19  -7.542  14.235  10.230
  202    H2*    G  19           H2*        G  19  -6.411  14.351   8.207
  203   2HO*    G  19          2HO*        G  19  -4.362  14.725   8.560
  204    H1*    G  19           H1*        G  19  -5.379  11.704   8.148
  205    H8     G  19           H8         G  19  -9.177  12.301   8.407
  206    H1     G  19           H1         G  19  -6.956  11.709   2.432
  207   1H2     G  19          1H2         G  19  -4.739  11.615   2.450
  208   2H2     G  19          2H2         G  19  -3.808  11.697   3.930
  209   1H5*    G  20          1H5*        G  20  -6.938  18.541  10.068
  210   2H5*    G  20          2H5*        G  20  -8.092  17.686   9.025
  211    H4*    G  20           H4*        G  20  -5.104  17.967   8.729
  212    H3*    G  20           H3*        G  20  -7.512  18.663   7.082
  213    H2*    G  20           H2*        G  20  -6.536  17.935   5.072
  214   2HO*    G  20          2HO*        G  20  -4.433  18.001   4.708
  215    H1*    G  20           H1*        G  20  -5.298  15.686   5.954
  216    H8     G  20           H8         G  20  -8.326  15.545   8.040
  217    H1     G  20           H1         G  20  -9.756  14.491   1.894
  218   1H2     G  20          1H2         G  20  -8.038  15.018   0.611
  219   2H2     G  20          2H2         G  20  -6.534  15.635   1.258
  220   1H5*    A  21          1H5*        A  21  -8.950  22.276   6.751
  221   2H5*    A  21          2H5*        A  21  -8.755  20.798   5.789
  222    H4*    A  21           H4*        A  21  -9.463  23.269   4.803
  223    H3*    A  21           H3*        A  21  -8.521  20.727   3.594
  224    H2*    A  21           H2*        A  21  -7.558  21.652   1.690
  225   2HO*    A  21          2HO*        A  21  -9.488  22.828   1.150
  226    H1*    A  21           H1*        A  21  -6.650  24.056   2.613
  227    H8     A  21           H8         A  21  -5.954  21.524   5.311
  228   1H6     A  21          1H6         A  21  -0.806  20.070   2.249
  229   2H6     A  21          2H6         A  21  -1.702  19.871   3.739
  230    H2     A  21           H2         A  21  -3.274  22.725  -0.404
  231   1H5*    A  22          1H5*        A  22 -10.316  18.442   0.233
  232   2H5*    A  22          2H5*        A  22  -9.180  18.792   1.552
  233    H4*    A  22           H4*        A  22  -9.042  20.213  -1.118
  234    H3*    A  22           H3*        A  22  -7.999  17.488  -0.412
  235    H2*    A  22           H2*        A  22  -5.837  17.963  -1.116
  236   2HO*    A  22          2HO*        A  22  -7.121  19.826  -2.813
  237    H1*    A  22           H1*        A  22  -5.760  20.718  -0.646
  238    H8     A  22           H8         A  22  -6.721  19.871   2.658
  239   1H6     A  22          1H6         A  22  -1.255  17.191   3.678
  240   2H6     A  22          2H6         A  22  -2.697  17.847   4.421
  241    H2     A  22           H2         A  22  -1.749  17.668  -0.764
  242   1H5*    A  23          1H5*        A  23  -7.129  16.855  -5.554
  243   2H5*    A  23          2H5*        A  23  -7.593  15.213  -5.062
  244    H4*    A  23           H4*        A  23  -5.210  15.733  -6.118
  245    H3*    A  23           H3*        A  23  -5.980  13.756  -3.999
  246    H2*    A  23           H2*        A  23  -3.757  13.310  -3.389
  247   2HO*    A  23          2HO*        A  23  -1.998  14.096  -4.756
  248    H1*    A  23           H1*        A  23  -2.724  15.815  -3.538
  249    H8     A  23           H8         A  23  -6.367  15.621  -2.293
  250   1H6     A  23          1H6         A  23  -3.957  15.386   3.391
  251   2H6     A  23          2H6         A  23  -5.439  15.502   2.464
  252    H2     A  23           H2         A  23  -0.563  15.207   0.432
  253   1H5*    C  24          1H5*        C  24  -3.655  11.680  -6.023
  254   2H5*    C  24          2H5*        C  24  -3.822   9.918  -6.147
  255    H4*    C  24           H4*        C  24  -2.142  10.703  -4.444
  256    H3*    C  24           H3*        C  24  -4.479   8.968  -3.627
  257    H2*    C  24           H2*        C  24  -3.789   9.047  -1.389
  258   2HO*    C  24          2HO*        C  24  -1.257   9.815  -2.432
  259    H1*    C  24           H1*        C  24  -2.785  11.646  -1.374
  260   1H4     C  24          1H4         C  24  -8.495  11.938   1.454
  261   2H4     C  24          2H4         C  24  -9.273  12.019  -0.111
  262    H5     C  24           H5         C  24  -8.075  11.807  -2.194
  263    H6     C  24           H6         C  24  -5.879  11.459  -3.223
  264   1H5*    U  25          1H5*        U  25  -1.569   7.717  -1.743
  265   2H5*    U  25          2H5*        U  25  -1.118   6.001  -1.744
  266    H4*    U  25           H4*        U  25  -1.417   6.734   0.541
  267    H3*    U  25           H3*        U  25  -3.599   4.919  -0.501
  268    H2*    U  25           H2*        U  25  -4.769   5.125   1.504
  269   2HO*    U  25          2HO*        U  25  -3.796   5.173   3.402
  270    H1*    U  25           H1*        U  25  -3.824   7.699   2.240
  271    H3     U  25           H3         U  25  -8.328   8.149   2.399
  272    H5     U  25           H5         U  25  -7.457   7.880  -1.716
  273    H6     U  25           H6         U  25  -5.160   7.367  -1.130
  274   1H5*    U  26          1H5*        U  26  -2.342   3.831   3.186
  275   2H5*    U  26          2H5*        U  26  -1.831   2.146   3.400
  276    H4*    U  26           H4*        U  26  -3.245   2.544   5.230
  277    H3*    U  26           H3*        U  26  -4.820   1.206   3.019
  278    H2*    U  26           H2*        U  26  -6.755   1.335   4.327
  279   2HO*    U  26          2HO*        U  26  -6.167   2.115   6.711
  280    H1*    U  26           H1*        U  26  -6.181   3.745   5.632
  281    H3     U  26           H3         U  26  -9.879   5.039   3.424
  282    H5     U  26           H5         U  26  -7.241   3.956   0.322
  283    H6     U  26           H6         U  26  -5.658   3.225   2.008
  284   1H5*    G  27          1H5*        G  27  -5.724  -0.715   6.650
  285   2H5*    G  27          2H5*        G  27  -6.251  -2.391   6.399
  286    H4*    G  27           H4*        G  27  -8.000  -0.871   7.380
  287    H3*    G  27           H3*        G  27  -8.537  -2.246   4.733
  288    H2*    G  27           H2*        G  27 -10.630  -1.223   4.661
  289   2HO*    G  27          2HO*        G  27 -10.406  -1.370   7.442
  290    H1*    G  27           H1*        G  27  -9.941   1.087   6.165
  291    H8     G  27           H8         G  27  -7.995   0.231   2.944
  292    H1     G  27           H1         G  27 -13.095   4.008   2.116
  293   1H2     G  27          1H2         G  27 -14.247   4.149   4.012
  294   2H2     G  27          2H2         G  27 -13.749   3.326   5.474
  295   1H5*    G  28          1H5*        G  28 -11.518  -4.044   7.934
  296   2H5*    G  28          2H5*        G  28 -11.814  -5.697   7.359
  297    H4*    G  28           H4*        G  28 -13.916  -4.479   7.805
  298    H3*    G  28           H3*        G  28 -13.333  -5.279   4.948
  299    H2*    G  28           H2*        G  28 -15.346  -4.284   4.246
  300   2HO*    G  28          2HO*        G  28 -16.689  -3.458   6.266
  301    H1*    G  28           H1*        G  28 -15.297  -2.090   5.921
  302    H8     G  28           H8         G  28 -11.915  -2.980   4.347
  303    H1     G  28           H1         G  28 -15.590   0.772   0.686
  304   1H2     G  28          1H2         G  28 -17.594   1.012   1.619
  305   2H2     G  28          2H2         G  28 -18.035   0.224   3.117
  306   1H5*    U  29          1H5*        U  29 -17.430  -6.724   5.401
  307   2H5*    U  29          2H5*        U  29 -17.358  -8.417   4.876
  308    H4*    U  29           H4*        U  29 -19.112  -7.279   3.655
  309    H3*    U  29           H3*        U  29 -16.663  -7.912   1.993
  310    H2*    U  29           H2*        U  29 -17.685  -6.923   0.134
  311   2HO*    U  29          2HO*        U  29 -19.889  -6.744  -0.099
  312    H1*    U  29           H1*        U  29 -19.149  -4.959   1.513
  313    H3     U  29           H3         U  29 -16.501  -2.498  -1.218
  314    H5     U  29           H5         U  29 -13.816  -4.166   1.572
  315    H6     U  29           H6         U  29 -15.658  -5.470   2.465
  316   1H5*    U  30          1H5*        U  30 -20.487  -9.301   0.148
  317   2H5*    U  30          2H5*        U  30 -20.184 -10.817  -0.722
  318    H4*    U  30           H4*        U  30 -21.368  -9.074  -2.078
  319    H3*    U  30           H3*        U  30 -18.673 -10.097  -3.002
  320    H2*    U  30           H2*        U  30 -18.816  -8.705  -4.897
  321   2HO*    U  30          2HO*        U  30 -20.807  -7.679  -5.476
  322    H1*    U  30           H1*        U  30 -19.984  -6.527  -3.650
  323    H3     U  30           H3         U  30 -15.844  -5.073  -4.776
  324    H5     U  30           H5         U  30 -15.188  -7.607  -1.474
  325    H6     U  30           H6         U  30 -17.529  -8.240  -1.581
  326   1H5*    C  31          1H5*        C  31 -20.982 -10.418  -6.499
  327   2H5*    C  31          2H5*        C  31 -20.450 -11.856  -7.393
  328    H4*    C  31           H4*        C  31 -20.127  -9.672  -8.605
  329    H3*    C  31           H3*        C  31 -17.726 -11.428  -8.026
  330    H2*    C  31           H2*        C  31 -16.358  -9.861  -9.088
  331   2HO*    C  31          2HO*        C  31 -17.034  -9.285 -10.989
  332    H1*    C  31           H1*        C  31 -17.937  -7.570  -8.508
  333   1H4     C  31          1H4         C  31 -12.600  -6.855  -5.122
  334   2H4     C  31          2H4         C  31 -13.121  -8.086  -3.993
  335    H5     C  31           H5         C  31 -15.145  -9.363  -4.274
  336    H6     C  31           H6         C  31 -17.088  -9.761  -5.715
  337   1H5*    U  32          1H5*        U  32 -17.460 -10.974 -12.394
  338   2H5*    U  32          2H5*        U  32 -17.136 -12.609 -13.005
  339    H4*    U  32           H4*        U  32 -15.426 -11.059 -13.795
  340    H3*    U  32           H3*        U  32 -14.556 -13.136 -11.788
  341    H2*    U  32           H2*        U  32 -12.419 -12.226 -11.669
  342   2HO*    U  32          2HO*        U  32 -12.927 -10.989 -14.185
  343    H1*    U  32           H1*        U  32 -13.061  -9.543 -12.243
  344    H3     U  32           H3         U  32 -11.110  -9.080  -8.214
  345    H5     U  32           H5         U  32 -14.566 -11.333  -7.373
  346    H6     U  32           H6         U  32 -15.000 -11.435  -9.758
  347   1H5*    U  33          1H5*        U  33 -12.117 -12.595 -15.364
  348   2H5*    U  33          2H5*        U  33 -11.336 -14.073 -15.960
  349    H4*    U  33           H4*        U  33  -9.787 -12.117 -15.711
  350    H3*    U  33           H3*        U  33  -9.296 -14.698 -14.244
  351    H2*    U  33           H2*        U  33  -7.564 -13.794 -12.998
  352   2HO*    U  33          2HO*        U  33  -6.505 -13.128 -15.026
  353    H1*    U  33           H1*        U  33  -8.326 -11.060 -13.087
  354    H3     U  33           H3         U  33  -7.890 -11.679  -8.640
  355    H5     U  33           H5         U  33 -11.220 -14.047  -9.663
  356    H6     U  33           H6         U  33 -10.753 -13.578 -12.000
  357   1H5*    C  34          1H5*        C  34  -4.371 -15.904 -15.253
  358   2H5*    C  34          2H5*        C  34  -5.517 -15.744 -13.906
  359    H4*    C  34           H4*        C  34  -3.613 -13.516 -14.655
  360    H3*    C  34           H3*        C  34  -3.008 -15.990 -13.066
  361    H2*    C  34           H2*        C  34  -2.148 -14.798 -11.262
  362   2HO*    C  34          2HO*        C  34  -1.568 -12.878 -13.236
  363    H1*    C  34           H1*        C  34  -3.678 -12.478 -11.439
  364   1H4     C  34          1H4         C  34  -5.994 -15.987  -6.612
  365   2H4     C  34          2H4         C  34  -7.211 -16.606  -7.705
  366    H5     C  34           H5         C  34  -7.215 -16.149 -10.069
  367    H6     C  34           H6         C  34  -6.050 -15.009 -11.898
  368   1H5*    C  35          1H5*        C  35   2.031 -16.407 -12.608
  369   2H5*    C  35          2H5*        C  35   0.706 -17.047 -11.613
  370    H4*    C  35           H4*        C  35   2.377 -14.571 -11.075
  371    H3*    C  35           H3*        C  35   2.406 -17.342  -9.990
  372    H2*    C  35           H2*        C  35   2.165 -16.751  -7.767
  373   2HO*    C  35          2HO*        C  35   3.211 -15.096  -6.909
  374    H1*    C  35           H1*        C  35   0.826 -14.317  -7.974
  375   1H4     C  35          1H4         C  35  -3.423 -18.666  -5.980
  376   2H4     C  35          2H4         C  35  -3.989 -18.786  -7.630
  377    H5     C  35           H5         C  35  -2.884 -17.723  -9.484
  378    H6     C  35           H6         C  35  -1.002 -16.308 -10.160
  379   1H5*    U  36          1H5*        U  36   5.236 -20.053  -9.614
  380   2H5*    U  36          2H5*        U  36   3.759 -19.112  -9.329
  381    H4*    U  36           H4*        U  36   5.904 -18.702  -7.333
  382    H3*    U  36           H3*        U  36   4.745 -21.437  -7.794
  383    H2*    U  36           H2*        U  36   4.130 -21.689  -5.566
  384   2HO*    U  36          2HO*        U  36   6.450 -20.843  -5.065
  385    H1*    U  36           H1*        U  36   3.691 -19.005  -4.891
  386    H3     U  36           H3         U  36  -0.203 -21.268  -4.100
  387    H5     U  36           H5         U  36  -0.184 -20.483  -8.242
  388    H6     U  36           H6         U  36   2.108 -19.720  -8.018
  389   1H5*    A  37          1H5*        A  37   8.710 -24.115  -4.814
  390   2H5*    A  37          2H5*        A  37   7.333 -24.861  -5.648
  391    H4*    A  37           H4*        A  37   7.591 -23.977  -2.788
  392    H3*    A  37           H3*        A  37   7.519 -26.491  -3.918
  393    H2*    A  37           H2*        A  37   5.317 -26.509  -4.717
  394   2HO*    A  37          2HO*        A  37   5.428 -27.343  -2.090
  395    H1*    A  37           H1*        A  37   4.220 -24.856  -2.478
  396    H8     A  37           H8         A  37   4.768 -24.533  -6.334
  397   1H6     A  37          1H6         A  37  -1.299 -23.398  -6.533
  398   2H6     A  37          2H6         A  37   0.170 -23.538  -7.473
  399    H2     A  37           H2         A  37  -0.178 -24.158  -2.249
  400   1H5*    A  38          1H5*        A  38   9.045 -27.436   0.938
  401   2H5*    A  38          2H5*        A  38   8.276 -29.023   1.148
  402    H4*    A  38           H4*        A  38   8.443 -27.558   3.225
  403    H3*    A  38           H3*        A  38   5.959 -28.909   2.262
  404    H2*    A  38           H2*        A  38   4.519 -27.715   3.641
  405   2HO*    A  38          2HO*        A  38   6.690 -26.872   5.269
  406    H1*    A  38           H1*        A  38   5.838 -25.294   3.815
  407    H8     A  38           H8         A  38   6.013 -25.809   0.208
  408   1H6     A  38          1H6         A  38  -0.004 -24.483  -0.204
  409   2H6     A  38          2H6         A  38   1.486 -24.693  -1.095
  410    H2     A  38           H2         A  38   0.960 -25.195   4.129
  411   1H5*    G  39          1H5*        G  39   4.969 -30.483   6.578
  412   2H5*    G  39          2H5*        G  39   3.822 -31.623   5.846
  413    H4*    G  39           H4*        G  39   3.180 -29.243   7.114
  414    H3*    G  39           H3*        G  39   1.699 -31.161   5.366
  415    H2*    G  39           H2*        G  39   0.090 -29.627   4.679
  416   2HO*    G  39          2HO*        G  39  -0.799 -28.485   6.191
  417    H1*    G  39           H1*        G  39   1.555 -27.298   4.649
  418    H8     G  39           H8         G  39   3.847 -29.714   3.028
  419    H1     G  39           H1         G  39  -1.048 -28.166  -0.795
  420   1H2     G  39          1H2         G  39  -2.620 -27.116   0.371
  421   2H2     G  39          2H2         G  39  -2.465 -26.800   2.084
  422   1H5*    U  40          1H5*        U  40  -1.626 -30.082   7.745
  423   2H5*    U  40          2H5*        U  40  -2.264 -31.574   8.467
  424    H4*    U  40           H4*        U  40  -4.016 -30.463   7.204
  425    H3*    U  40           H3*        U  40  -2.977 -33.050   6.059
  426    H2*    U  40           H2*        U  40  -4.331 -32.834   4.157
  427   2HO*    U  40          2HO*        U  40  -5.812 -30.902   5.639
  428    H1*    U  40           H1*        U  40  -4.184 -30.096   3.835
  429    H3     U  40           H3         U  40  -1.959 -31.749   0.232
  430    H5     U  40           H5         U  40   0.736 -32.218   3.442
  431    H6     U  40           H6         U  40  -1.035 -31.518   4.946
  432   1H5*    C  41          1H5*        C  41  -7.306 -33.429   6.136
  433   2H5*    C  41          2H5*        C  41  -7.773 -35.099   6.519
  434    H4*    C  41           H4*        C  41  -8.654 -34.272   4.327
  435    H3*    C  41           H3*        C  41  -6.835 -36.679   4.429
  436    H2*    C  41           H2*        C  41  -6.859 -36.858   2.096
  437   2HO*    C  41          2HO*        C  41  -9.128 -35.131   2.084
  438    H1*    C  41           H1*        C  41  -6.981 -34.148   1.480
  439   1H4     C  41          1H4         C  41  -0.901 -35.763   0.541
  440   2H4     C  41          2H4         C  41  -0.617 -35.817   2.266
  441    H5     C  41           H5         C  41  -2.357 -35.483   3.900
  442    H6     C  41           H6         C  41  -4.745 -35.047   4.232
  443   1H5*    C  42          1H5*        C  42 -10.022 -37.784   2.003
  444   2H5*    C  42          2H5*        C  42 -10.863 -39.215   2.633
  445    H4*    C  42           H4*        C  42 -10.500 -39.626   0.321
  446    H3*    C  42           H3*        C  42  -8.562 -41.116   2.086
  447    H2*    C  42           H2*        C  42  -7.394 -41.937   0.222
  448   2HO*    C  42          2HO*        C  42  -8.284 -41.926  -1.870
  449    H1*    C  42           H1*        C  42  -7.558 -39.713  -1.394
  450   1H4     C  42          1H4         C  42  -1.849 -39.172   1.370
  451   2H4     C  42          2H4         C  42  -2.594 -38.713   2.883
  452    H5     C  42           H5         C  42  -4.973 -38.665   3.222
  453    H6     C  42           H6         C  42  -7.160 -39.047   2.187
  454   1H5*    U  43          1H5*        U  43  -9.418 -43.242  -1.189
  455   2H5*    U  43          2H5*        U  43  -9.846 -44.939  -0.894
  456    H4*    U  43           H4*        U  43  -8.020 -44.689  -2.552
  457    H3*    U  43           H3*        U  43  -7.453 -46.097   0.048
  458    H2*    U  43           H2*        U  43  -5.201 -46.214  -0.395
  459   2HO*    U  43          2HO*        U  43  -4.410 -46.726  -2.351
  460    H1*    U  43           H1*        U  43  -5.093 -44.124  -2.381
  461    H3     U  43           H3         U  43  -1.485 -43.028   0.079
  462    H5     U  43           H5         U  43  -4.690 -42.630   2.788
  463    H6     U  43           H6         U  43  -6.158 -43.529   1.078
  464    H3T    U  43           H3T        U  43  -8.142 -47.692  -1.121
  465   1H5*    G  44          1H5*        G  44  -8.747  43.412   1.946
  466   2H5*    G  44          2H5*        G  44  -8.478  41.742   1.404
  467    H4*    G  44           H4*        G  44  -8.306  43.403  -0.437
  468    H3*    G  44           H3*        G  44  -6.016  41.614   0.281
  469    H2*    G  44           H2*        G  44  -4.465  42.749  -1.052
  470   2HO*    G  44          2HO*        G  44  -6.741  43.808  -2.394
  471    H1*    G  44           H1*        G  44  -5.287  45.322  -0.692
  472    H8     G  44           H8         G  44  -5.739  43.866   2.697
  473    H1     G  44           H1         G  44   0.449  44.765   1.305
  474   1H2     G  44          1H2         G  44   0.683  45.208  -0.858
  475   2H2     G  44          2H2         G  44  -0.675  45.280  -1.957
  476    H5T    G  44           H5T        G  44  -7.379  42.363   3.374
  477   1H5*    G  45          1H5*        G  45  -5.278  42.197  -3.321
  478   2H5*    G  45          2H5*        G  45  -5.300  40.768  -4.374
  479    H4*    G  45           H4*        G  45  -3.199  41.940  -4.659
  480    H3*    G  45           H3*        G  45  -3.040  39.293  -3.221
  481    H2*    G  45           H2*        G  45  -0.781  39.591  -2.766
  482   2HO*    G  45          2HO*        G  45   0.380  40.033  -4.452
  483    H1*    G  45           H1*        G  45  -0.719  42.430  -2.787
  484    H8     G  45           H8         G  45  -3.214  41.117  -0.284
  485    H1     G  45           H1         G  45   2.808  41.034   1.892
  486   1H2     G  45          1H2         G  45   4.219  41.440   0.232
  487   2H2     G  45          2H2         G  45   3.683  41.727  -1.408
  488   1H5*    G  46          1H5*        G  46  -0.058  39.525  -6.165
  489   2H5*    G  46          2H5*        G  46   0.024  38.105  -7.226
  490    H4*    G  46           H4*        G  46   2.245  38.655  -6.396
  491    H3*    G  46           H3*        G  46   1.015  36.102  -5.359
  492    H2*    G  46           H2*        G  46   2.829  35.731  -3.936
  493   2HO*    G  46          2HO*        G  46   4.349  37.644  -5.398
  494    H1*    G  46           H1*        G  46   3.476  38.390  -3.368
  495    H8     G  46           H8         G  46  -0.223  37.390  -3.035
  496    H1     G  46           H1         G  46   3.262  36.567   2.273
  497   1H2     G  46          1H2         G  46   5.408  36.943   1.830
  498   2H2     G  46          2H2         G  46   5.975  37.385   0.237
  499   1H5*    A  47          1H5*        A  47   5.163  35.130  -6.733
  500   2H5*    A  47          2H5*        A  47   5.038  33.594  -7.613
  501    H4*    A  47           H4*        A  47   6.789  33.549  -5.860
  502    H3*    A  47           H3*        A  47   4.432  31.681  -5.629
  503    H2*    A  47           H2*        A  47   5.175  30.892  -3.557
  504   2HO*    A  47          2HO*        A  47   7.635  31.448  -4.651
  505    H1*    A  47           H1*        A  47   6.341  33.235  -2.599
  506    H8     A  47           H8         A  47   2.822  33.543  -4.126
  507   1H6     A  47          1H6         A  47   0.722  32.655   1.608
  508   2H6     A  47          2H6         A  47   0.287  33.049  -0.039
  509    H2     A  47           H2         A  47   5.178  32.057   1.666
  510   1H5*    U  48          1H5*        U  48   7.835  29.330  -4.890
  511   2H5*    U  48          2H5*        U  48   7.677  27.687  -5.544
  512    H4*    U  48           H4*        U  48   7.993  27.793  -3.055
  513    H3*    U  48           H3*        U  48   5.614  26.449  -4.304
  514    H2*    U  48           H2*        U  48   4.545  26.145  -2.263
  515   2HO*    U  48          2HO*        U  48   7.109  25.772  -1.425
  516    H1*    U  48           H1*        U  48   5.568  28.346  -0.858
  517    H3     U  48           H3         U  48   1.153  29.264  -0.719
  518    H5     U  48           H5         U  48   2.130  29.681  -4.796
  519    H6     U  48           H6         U  48   4.357  28.870  -4.281
  520   1H5*    A  49          1H5*        A  49   8.884  21.556  -2.045
  521   2H5*    A  49          2H5*        A  49   7.127  21.519  -2.299
  522    H4*    A  49           H4*        A  49   8.385  22.688   0.193
  523    H3*    A  49           H3*        A  49   8.444  19.929  -0.435
  524    H2*    A  49           H2*        A  49   6.217  19.412  -0.054
  525   2HO*    A  49          2HO*        A  49   6.311  18.490   1.820
  526    H1*    A  49           H1*        A  49   5.765  21.664   1.863
  527    H8     A  49           H8         A  49   4.554  21.080  -1.779
  528   1H6     A  49          1H6         A  49  -1.055  20.451   0.752
  529   2H6     A  49          2H6         A  49  -0.159  20.511  -0.748
  530    H2     A  49           H2         A  49   1.917  20.956   4.077
  531   1H5*    U  50          1H5*        U  50   9.906  18.815   5.475
  532   2H5*    U  50          2H5*        U  50   9.231  17.775   4.205
  533    H4*    U  50           H4*        U  50   7.741  18.327   6.237
  534    H3*    U  50           H3*        U  50   7.018  18.181   3.405
  535    H2*    U  50           H2*        U  50   5.650  20.015   3.352
  536   2HO*    U  50          2HO*        U  50   3.704  19.634   4.114
  537    H1*    U  50           H1*        U  50   5.601  20.437   6.302
  538    H3     U  50           H3         U  50   7.652  24.787   5.195
  539    H5     U  50           H5         U  50   4.070  23.978   3.124
  540    H6     U  50           H6         U  50   4.244  21.669   3.857
  541   1H5*    G  51          1H5*        G  51   2.798  19.002   5.589
  542   2H5*    G  51          2H5*        G  51   2.285  17.984   6.951
  543    H4*    G  51           H4*        G  51   0.382  17.773   5.739
  544    H3*    G  51           H3*        G  51   2.262  15.737   4.622
  545    H2*    G  51           H2*        G  51   1.113  15.452   2.635
  546   2HO*    G  51          2HO*        G  51  -1.079  15.616   2.470
  547    H1*    G  51           H1*        G  51  -0.103  17.945   2.355
  548    H8     G  51           H8         G  51   3.617  18.231   3.033
  549    H1     G  51           H1         G  51   2.204  17.117  -3.108
  550   1H2     G  51          1H2         G  51   0.052  16.604  -3.307
  551   2H2     G  51          2H2         G  51  -1.028  16.538  -1.933
  552   1H5*    G  52          1H5*        G  52   1.272  11.375   4.635
  553   2H5*    G  52          2H5*        G  52   2.749  11.888   3.795
  554    H4*    G  52           H4*        G  52  -0.032  11.553   2.755
  555    H3*    G  52           H3*        G  52   2.754  10.884   1.842
  556    H2*    G  52           H2*        G  52   2.237  11.279  -0.409
  557   2HO*    G  52          2HO*        G  52   0.161  10.028  -0.084
  558    H1*    G  52           H1*        G  52   0.536  13.406  -0.126
  559    H8     G  52           H8         G  52   3.089  14.434   2.266
  560    H1     G  52           H1         G  52   5.411  14.568  -3.701
  561   1H2     G  52          1H2         G  52   4.056  13.467  -5.062
  562   2H2     G  52          2H2         G  52   2.586  12.697  -4.509
  563   1H5*    A  53          1H5*        A  53   0.427   8.043   0.200
  564   2H5*    A  53          2H5*        A  53   0.744   6.299   0.285
  565    H4*    A  53           H4*        A  53   0.928   6.981  -2.015
  566    H3*    A  53           H3*        A  53   3.575   6.394  -0.682
  567    H2*    A  53           H2*        A  53   4.738   7.039  -2.601
  568   2HO*    A  53          2HO*        A  53   2.337   6.825  -4.115
  569    H1*    A  53           H1*        A  53   2.944   8.981  -3.540
  570    H8     A  53           H8         A  53   3.699   9.715   0.059
  571   1H6     A  53          1H6         A  53   8.926  12.405  -1.861
  572   2H6     A  53          2H6         A  53   7.854  12.155  -0.499
  573    H2     A  53           H2         A  53   7.146  10.192  -5.341
  574   1H5*    A  54          1H5*        A  54   3.591   5.095  -4.270
  575   2H5*    A  54          2H5*        A  54   3.416   3.345  -4.513
  576    H4*    A  54           H4*        A  54   4.916   3.860  -6.190
  577    H3*    A  54           H3*        A  54   6.529   3.185  -3.730
  578    H2*    A  54           H2*        A  54   8.517   3.791  -4.802
  579   2HO*    A  54          2HO*        A  54   7.265   2.791  -6.946
  580    H1*    A  54           H1*        A  54   7.548   5.889  -6.335
  581    H8     A  54           H8         A  54   6.485   5.730  -2.631
  582   1H6     A  54          1H6         A  54  11.395   9.312  -1.535
  583   2H6     A  54          2H6         A  54   9.979   8.558  -0.837
  584    H2     A  54           H2         A  54  11.486   8.125  -5.873
  585   1H5*    G  55          1H5*        G  55   8.086   0.991  -7.201
  586   2H5*    G  55          2H5*        G  55   8.863  -0.532  -6.721
  587    H4*    G  55           H4*        G  55  10.350   1.068  -7.975
  588    H3*    G  55           H3*        G  55  11.100   0.142  -5.194
  589    H2*    G  55           H2*        G  55  13.048   1.463  -5.278
  590   2HO*    G  55          2HO*        G  55  12.664   1.770  -8.085
  591    H1*    G  55           H1*        G  55  12.002   3.594  -6.706
  592    H8     G  55           H8         G  55   9.784   2.309  -3.850
  593    H1     G  55           H1         G  55  14.285   6.471  -2.039
  594   1H2     G  55          1H2         G  55  15.648   6.906  -3.732
  595   2H2     G  55          2H2         G  55  15.448   6.171  -5.307
  596   1H5*    A  56          1H5*        A  56  14.241  -0.129  -7.202
  597   2H5*    A  56          2H5*        A  56  15.046  -1.691  -7.445
  598    H4*    A  56           H4*        A  56  16.799  -0.344  -6.730
  599    H3*    A  56           H3*        A  56  15.630  -1.683  -4.281
  600    H2*    A  56           H2*        A  56  17.161  -0.518  -2.931
  601   2HO*    A  56          2HO*        A  56  18.680  -0.568  -5.248
  602    H1*    A  56           H1*        A  56  17.208   1.855  -4.392
  603    H8     A  56           H8         A  56  13.769   0.283  -3.629
  604   1H6     A  56          1H6         A  56  13.726   3.936   1.345
  605   2H6     A  56          2H6         A  56  12.790   2.835   0.362
  606    H2     A  56           H2         A  56  17.776   4.266  -0.575
  607   1H5*    A  57          1H5*        A  57  19.857  -1.976  -3.974
  608   2H5*    A  57          2H5*        A  57  20.294  -3.666  -3.653
  609    H4*    A  57           H4*        A  57  21.444  -2.305  -2.053
  610    H3*    A  57           H3*        A  57  19.057  -3.721  -0.833
  611    H2*    A  57           H2*        A  57  19.627  -2.768   1.250
  612   2HO*    A  57          2HO*        A  57  22.094  -1.804   0.257
  613    H1*    A  57           H1*        A  57  20.470  -0.301   0.272
  614    H8     A  57           H8         A  57  17.197  -1.770  -1.147
  615   1H6     A  57          1H6         A  57  14.352   1.445   3.287
  616   2H6     A  57          2H6         A  57  14.131   0.443   1.871
  617    H2     A  57           H2         A  57  18.784   1.819   3.939
  618   1H5*    C  58          1H5*        C  58  21.941  -4.517   1.802
  619   2H5*    C  58          2H5*        C  58  22.100  -6.247   2.168
  620    H4*    C  58           H4*        C  58  21.802  -5.160   4.257
  621    H3*    C  58           H3*        C  58  19.192  -6.391   3.322
  622    H2*    C  58           H2*        C  58  18.161  -5.583   5.256
  623   2HO*    C  58          2HO*        C  58  19.408  -4.977   7.117
  624    H1*    C  58           H1*        C  58  19.789  -3.291   5.590
  625   1H4     C  58          1H4         C  58  14.060  -1.070   3.990
  626   2H4     C  58          2H4         C  58  14.202  -1.743   2.380
  627    H5     C  58           H5         C  58  16.097  -3.047   1.655
  628    H6     C  58           H6         C  58  18.232  -4.041   2.337
  629   1H5*    C  59          1H5*        C  59  20.087  -7.177   7.263
  630   2H5*    C  59          2H5*        C  59  19.495  -8.713   7.925
  631    H4*    C  59           H4*        C  59  18.661  -6.699   9.149
  632    H3*    C  59           H3*        C  59  16.680  -8.539   7.793
  633    H2*    C  59           H2*        C  59  14.921  -7.160   8.448
  634   2HO*    C  59          2HO*        C  59  14.909  -6.665  10.484
  635    H1*    C  59           H1*        C  59  16.356  -4.717   8.511
  636   1H4     C  59          1H4         C  59  12.400  -4.141   3.573
  637   2H4     C  59          2H4         C  59  13.260  -5.381   2.686
  638    H5     C  59           H5         C  59  15.135  -6.599   3.598
  639    H6     C  59           H6         C  59  16.527  -6.949   5.583
  640   1H5*    G  60          1H5*        G  60  16.111  -8.405  12.569
  641   2H5*    G  60          2H5*        G  60  15.565 -10.056  12.919
  642    H4*    G  60           H4*        G  60  14.226  -8.410  14.142
  643    H3*    G  60           H3*        G  60  12.806  -9.960  11.968
  644    H2*    G  60           H2*        G  60  10.815  -8.792  12.425
  645   2HO*    G  60          2HO*        G  60  11.784  -8.797  14.922
  646    H1*    G  60           H1*        G  60  11.930  -6.314  12.919
  647    H8     G  60           H8         G  60  13.604  -7.983   9.954
  648    H1     G  60           H1         G  60   8.079  -5.124   8.464
  649   1H2     G  60          1H2         G  60   7.025  -4.491  10.318
  650   2H2     G  60          2H2         G  60   7.680  -4.778  11.915
  651   1H5*    G  61          1H5*        G  61   9.977  -9.384  14.571
  652   2H5*    G  61          2H5*        G  61   9.741 -10.894  15.472
  653    H4*    G  61           H4*        G  61   7.555 -10.213  15.081
  654    H3*    G  61           H3*        G  61   8.374 -12.092  12.864
  655    H2*    G  61           H2*        G  61   6.399 -11.678  11.711
  656   2HO*    G  61          2HO*        G  61   4.690 -10.510  13.257
  657    H1*    G  61           H1*        G  61   5.871  -9.074  12.719
  658    H8     G  61           H8         G  61   9.248  -9.399  11.026
  659    H1     G  61           H1         G  61   4.438  -8.437   6.919
  660   1H2     G  61          1H2         G  61   2.491  -8.587   7.977
  661   2H2     G  61          2H2         G  61   2.376  -8.932   9.688
  662   1H5*    G  62          1H5*        G  62   4.451 -12.619  13.358
  663   2H5*    G  62          2H5*        G  62   4.151 -14.235  14.028
  664    H4*    G  62           H4*        G  62   2.580 -14.070  12.304
  665    H3*    G  62           H3*        G  62   5.038 -15.495  11.277
  666    H2*    G  62           H2*        G  62   4.174 -15.522   9.118
  667   2HO*    G  62          2HO*        G  62   2.228 -16.261   8.922
  668    H1*    G  62           H1*        G  62   2.519 -13.217   9.320
  669    H8     G  62           H8         G  62   6.315 -13.048  10.008
  670    H1     G  62           H1         G  62   4.631 -11.775   3.968
  671   1H2     G  62          1H2         G  62   2.455 -12.111   3.697
  672   2H2     G  62          2H2         G  62   1.418 -12.647   5.001
  673   1H5*    G  63          1H5*        G  63   4.803 -19.764   9.551
  674   2H5*    G  63          2H5*        G  63   5.258 -18.051   9.662
  675    H4*    G  63           H4*        G  63   2.754 -18.785   8.182
  676    H3*    G  63           H3*        G  63   5.536 -19.406   7.228
  677    H2*    G  63           H2*        G  63   5.179 -18.373   5.153
  678   2HO*    G  63          2HO*        G  63   2.464 -17.886   5.429
  679    H1*    G  63           H1*        G  63   3.641 -16.250   5.965
  680    H8     G  63           H8         G  63   6.162 -16.336   8.647
  681    H1     G  63           H1         G  63   8.785 -14.501   3.107
  682   1H2     G  63          1H2         G  63   7.387 -14.879   1.444
  683   2H2     G  63          2H2         G  63   5.808 -15.590   1.685
  684   1H5*    A  64          1H5*        A  64   7.059 -22.940   6.572
  685   2H5*    A  64          2H5*        A  64   7.454 -21.259   6.158
  686    H4*    A  64           H4*        A  64   8.458 -23.248   4.760
  687    H3*    A  64           H3*        A  64   7.516 -20.574   3.837
  688    H2*    A  64           H2*        A  64   7.356 -21.148   1.582
  689   2HO*    A  64          2HO*        A  64   8.781 -22.407   0.657
  690    H1*    A  64           H1*        A  64   6.536 -23.746   1.749
  691    H8     A  64           H8         A  64   4.827 -21.604   4.406
  692   1H6     A  64          1H6         A  64   0.538 -20.390   0.141
  693   2H6     A  64          2H6         A  64   0.983 -20.223   1.825
  694    H2     A  64           H2         A  64   3.896 -22.594  -1.874
  695   1H5*    A  65          1H5*        A  65  10.392 -18.163   1.194
  696   2H5*    A  65          2H5*        A  65   8.922 -17.325   1.730
  697    H4*    A  65           H4*        A  65   9.443 -18.875  -0.722
  698    H3*    A  65           H3*        A  65   7.672 -16.597   0.107
  699    H2*    A  65           H2*        A  65   5.941 -17.208  -1.334
  700   2HO*    A  65          2HO*        A  65   6.312 -18.010  -3.260
  701    H1*    A  65           H1*        A  65   6.145 -19.941  -1.222
  702    H8     A  65           H8         A  65   6.511 -19.266   2.334
  703   1H6     A  65          1H6         A  65   0.489 -17.927   2.626
  704   2H6     A  65          2H6         A  65   1.926 -18.300   3.552
  705    H2     A  65           H2         A  65   1.693 -17.950  -1.706
  706   1H5*    A  66          1H5*        A  66   8.049 -13.895  -4.626
  707   2H5*    A  66          2H5*        A  66   7.471 -13.021  -3.195
  708    H4*    A  66           H4*        A  66   5.994 -13.848  -5.490
  709    H3*    A  66           H3*        A  66   5.417 -12.306  -2.986
  710    H2*    A  66           H2*        A  66   3.118 -12.791  -3.010
  711   2HO*    A  66          2HO*        A  66   3.569 -13.017  -5.727
  712    H1*    A  66           H1*        A  66   3.191 -15.383  -3.758
  713    H8     A  66           H8         A  66   6.264 -14.605  -1.651
  714   1H6     A  66          1H6         A  66   2.767 -15.849   3.287
  715   2H6     A  66          2H6         A  66   4.398 -15.542   2.723
  716    H2     A  66           H2         A  66   0.082 -15.740  -0.330
  717   1H5*    C  67          1H5*        C  67   2.929 -10.407  -4.748
  718   2H5*    C  67          2H5*        C  67   2.890  -8.648  -4.513
  719    H4*    C  67           H4*        C  67   1.134  -9.928  -3.238
  720    H3*    C  67           H3*        C  67   3.125  -8.181  -1.778
  721    H2*    C  67           H2*        C  67   2.147  -8.768   0.276
  722   2HO*    C  67          2HO*        C  67   0.039 -10.138  -0.029
  723    H1*    C  67           H1*        C  67   1.554 -11.414  -0.330
  724   1H4     C  67          1H4         C  67   6.898 -11.482   3.149
  725   2H4     C  67          2H4         C  67   7.846 -11.150   1.717
  726    H5     C  67           H5         C  67   6.867 -10.714  -0.442
  727    H6     C  67           H6         C  67   4.767 -10.480  -1.686
  728   1H5*    U  68          1H5*        U  68   0.094  -7.556   0.199
  729   2H5*    U  68          2H5*        U  68  -0.572  -5.914   0.113
  730    H4*    U  68           H4*        U  68  -0.472  -6.377   2.415
  731    H3*    U  68           H3*        U  68   1.972  -4.789   1.594
  732    H2*    U  68           H2*        U  68   2.771  -4.891   3.804
  733   2HO*    U  68          2HO*        U  68   0.058  -5.381   4.441
  734    H1*    U  68           H1*        U  68   1.845  -7.450   4.413
  735    H3     U  68           H3         U  68   6.316  -8.002   4.659
  736    H5     U  68           H5         U  68   5.602  -7.440   0.540
  737    H6     U  68           H6         U  68   3.279  -6.978   1.073
  738   1H5*    U  69          1H5*        U  69   0.566  -3.743   5.035
  739   2H5*    U  69          2H5*        U  69   0.168  -2.040   5.337
  740    H4*    U  69           H4*        U  69   1.427  -2.723   7.216
  741    H3*    U  69           H3*        U  69   3.246  -1.281   5.262
  742    H2*    U  69           H2*        U  69   5.008  -1.601   6.764
  743   2HO*    U  69          2HO*        U  69   4.765  -1.608   8.895
  744    H1*    U  69           H1*        U  69   4.102  -4.055   7.835
  745    H3     U  69           H3         U  69   8.140  -5.300   6.274
  746    H5     U  69           H5         U  69   6.095  -4.077   2.802
  747    H6     U  69           H6         U  69   4.248  -3.383   4.210
  748   1H5*    G  70          1H5*        G  70   3.712  -0.147   8.921
  749   2H5*    G  70          2H5*        G  70   4.080   1.537   9.342
  750    H4*    G  70           H4*        G  70   5.832   0.118  10.205
  751    H3*    G  70           H3*        G  70   6.685   1.725   7.778
  752    H2*    G  70           H2*        G  70   8.796   0.748   7.926
  753   2HO*    G  70          2HO*        G  70   8.165   0.406  10.675
  754    H1*    G  70           H1*        G  70   7.956  -1.667   9.189
  755    H8     G  70           H8         G  70   6.630  -0.640   5.698
  756    H1     G  70           H1         G  70  11.850  -4.347   5.701
  757   1H2     G  70          1H2         G  70  12.580  -4.618   7.782
  758   2H2     G  70          2H2         G  70  11.776  -3.893   9.156
  759   1H5*    G  71          1H5*        G  71   9.048   2.757  11.915
  760   2H5*    G  71          2H5*        G  71   9.328   4.493  11.682
  761    H4*    G  71           H4*        G  71  11.327   3.566  12.617
  762    H3*    G  71           H3*        G  71  11.571   4.184   9.669
  763    H2*    G  71           H2*        G  71  13.795   3.358   9.673
  764   2HO*    G  71          2HO*        G  71  13.627   3.963  12.358
  765    H1*    G  71           H1*        G  71  13.335   1.117  11.121
  766    H8     G  71           H8         G  71  10.222   1.858   9.101
  767    H1     G  71           H1         G  71  14.852  -0.875   5.630
  768   1H2     G  71          1H2         G  71  16.717  -0.998   6.825
  769   2H2     G  71          2H2         G  71  16.832  -0.390   8.459
  770   1H5*    U  72          1H5*        U  72  15.167   6.276  11.464
  771   2H5*    U  72          2H5*        U  72  15.007   7.917  10.812
  772    H4*    U  72           H4*        U  72  17.277   7.049  10.479
  773    H3*    U  72           H3*        U  72  15.593   7.522   8.017
  774    H2*    U  72           H2*        U  72  17.309   6.705   6.637
  775   2HO*    U  72          2HO*        U  72  18.897   7.610   8.699
  776    H1*    U  72           H1*        U  72  18.225   4.684   8.274
  777    H3     U  72           H3         U  72  16.356   2.617   4.672
  778    H5     U  72           H5         U  72  13.080   3.750   7.074
  779    H6     U  72           H6         U  72  14.626   4.985   8.481
  780   1H5*    U  73          1H5*        U  73  19.417   9.284   7.227
  781   2H5*    U  73          2H5*        U  73  19.194  10.912   6.560
  782    H4*    U  73           H4*        U  73  20.675   9.568   5.141
  783    H3*    U  73           H3*        U  73  17.971  10.227   3.930
  784    H2*    U  73           H2*        U  73  18.695   9.172   1.942
  785   2HO*    U  73          2HO*        U  73  21.133   9.977   2.821
  786    H1*    U  73           H1*        U  73  20.018   7.070   3.161
  787    H3     U  73           H3         U  73  16.441   5.220   1.073
  788    H5     U  73           H5         U  73  14.831   7.004   4.536
  789    H6     U  73           H6         U  73  17.001   8.012   4.941
  790   1H5*    C  74          1H5*        C  74  21.014  11.137   1.010
  791   2H5*    C  74          2H5*        C  74  20.526  12.623   0.170
  792    H4*    C  74           H4*        C  74  20.940  10.714  -1.370
  793    H3*    C  74           H3*        C  74  18.149  11.876  -1.247
  794    H2*    C  74           H2*        C  74  17.457  10.326  -2.884
  795   2HO*    C  74          2HO*        C  74  19.752   9.107  -3.589
  796    H1*    C  74           H1*        C  74  19.013   8.179  -2.038
  797   1H4     C  74          1H4         C  74  13.300   6.837   0.386
  798   2H4     C  74          2H4         C  74  13.468   8.110   1.575
  799    H5     C  74           H5         C  74  15.334   9.634   1.628
  800    H6     C  74           H6         C  74  17.445  10.260   0.550
  801   1H5*    U  75          1H5*        U  75  19.571  12.474  -5.096
  802   2H5*    U  75          2H5*        U  75  18.905  13.782  -6.095
  803    H4*    U  75           H4*        U  75  18.189  11.507  -6.832
  804    H3*    U  75           H3*        U  75  16.064  13.441  -5.864
  805    H2*    U  75           H2*        U  75  14.430  11.818  -6.315
  806   2HO*    U  75          2HO*        U  75  15.142   9.886  -7.616
  807    H1*    U  75           H1*        U  75  16.023   9.565  -5.731
  808    H3     U  75           H3         U  75  12.539   9.159  -2.881
  809    H5     U  75           H5         U  75  14.789  12.350  -1.301
  810    H6     U  75           H6         U  75  16.181  12.266  -3.289
  811   1H5*    U  76          1H5*        U  76  15.158  12.308  -9.749
  812   2H5*    U  76          2H5*        U  76  14.571  13.570 -10.854
  813    H4*    U  76           H4*        U  76  13.008  11.689 -10.775
  814    H3*    U  76           H3*        U  76  12.054  14.299  -9.591
  815    H2*    U  76           H2*        U  76  10.077  13.320  -8.881
  816   2HO*    U  76          2HO*        U  76   9.028  12.338 -10.405
  817    H1*    U  76           H1*        U  76  11.012  10.639  -8.661
  818    H3     U  76           H3         U  76   9.047  11.379  -4.658
  819    H5     U  76           H5         U  76  12.417  13.908  -4.612
  820    H6     U  76           H6         U  76  12.838  13.281  -6.919
  821   1H5*    C  77          1H5*        C  77   8.241  15.277 -12.662
  822   2H5*    C  77          2H5*        C  77   8.067  16.358 -11.265
  823    H4*    C  77           H4*        C  77   6.766  13.768 -11.847
  824    H3*    C  77           H3*        C  77   6.080  16.291 -10.359
  825    H2*    C  77           H2*        C  77   4.780  15.163  -8.805
  826   2HO*    C  77          2HO*        C  77   4.068  12.887  -9.469
  827    H1*    C  77           H1*        C  77   6.022  12.626  -8.914
  828   1H4     C  77          1H4         C  77   7.373  15.140  -3.198
  829   2H4     C  77          2H4         C  77   8.810  15.862  -3.886
  830    H5     C  77           H5         C  77   9.317  15.807  -6.239
  831    H6     C  77           H6         C  77   8.566  15.036  -8.442
  832   1H5*    C  78          1H5*        C  78   1.517  17.685 -11.672
  833   2H5*    C  78          2H5*        C  78   2.195  18.387 -10.191
  834    H4*    C  78           H4*        C  78   0.055  16.350 -10.549
  835    H3*    C  78           H3*        C  78   0.519  18.753  -8.866
  836    H2*    C  78           H2*        C  78  -0.120  17.818  -6.845
  837   2HO*    C  78          2HO*        C  78  -1.846  16.418  -8.493
  838    H1*    C  78           H1*        C  78   0.557  15.177  -7.179
  839   1H4     C  78          1H4         C  78   5.279  17.847  -3.792
  840   2H4     C  78          2H4         C  78   6.191  18.012  -5.277
  841    H5     C  78           H5         C  78   5.269  17.550  -7.452
  842    H6     C  78           H6         C  78   3.282  16.803  -8.678
  843   1H5*    U  79          1H5*        U  79  -4.139  21.337  -8.583
  844   2H5*    U  79          2H5*        U  79  -2.481  21.551  -7.987
  845    H4*    U  79           H4*        U  79  -4.840  20.291  -6.573
  846    H3*    U  79           H3*        U  79  -3.167  22.742  -6.152
  847    H2*    U  79           H2*        U  79  -2.879  22.367  -3.883
  848   2HO*    U  79          2HO*        U  79  -5.412  21.838  -3.974
  849    H1*    U  79           H1*        U  79  -3.084  19.573  -3.807
  850    H3     U  79           H3         U  79   0.961  20.911  -2.046
  851    H5     U  79           H5         U  79   1.538  20.564  -6.207
  852    H6     U  79           H6         U  79  -0.863  20.312  -6.452
  853   1H5*    A  80          1H5*        A  80  -6.422  25.283  -3.191
  854   2H5*    A  80          2H5*        A  80  -5.131  26.392  -3.699
  855    H4*    A  80           H4*        A  80  -5.395  24.762  -1.232
  856    H3*    A  80           H3*        A  80  -5.051  27.481  -1.752
  857    H2*    A  80           H2*        A  80  -2.775  27.495  -2.263
  858   2HO*    A  80          2HO*        A  80  -2.804  27.176   0.568
  859    H1*    A  80           H1*        A  80  -2.119  25.187  -0.470
  860    H8     A  80           H8         A  80  -2.176  25.729  -4.329
  861   1H6     A  80          1H6         A  80   3.885  24.567  -4.042
  862   2H6     A  80          2H6         A  80   2.533  24.894  -5.102
  863    H2     A  80           H2         A  80   2.276  24.547   0.153
  864   1H5*    A  81          1H5*        A  81  -7.626  26.189   2.573
  865   2H5*    A  81          2H5*        A  81  -7.716  27.813   3.283
  866    H4*    A  81           H4*        A  81  -7.469  26.190   5.057
  867    H3*    A  81           H3*        A  81  -5.175  28.034   4.536
  868    H2*    A  81           H2*        A  81  -3.665  26.860   5.848
  869   2HO*    A  81          2HO*        A  81  -4.217  25.872   7.684
  870    H1*    A  81           H1*        A  81  -4.647  24.274   5.600
  871    H8     A  81           H8         A  81  -4.501  25.430   2.099
  872   1H6     A  81          1H6         A  81   1.616  24.598   2.223
  873   2H6     A  81          2H6         A  81   0.224  24.893   1.206
  874    H2     A  81           H2         A  81   0.103  24.364   6.452
  875   1H5*    G  82          1H5*        G  82  -3.795  30.273   8.605
  876   2H5*    G  82          2H5*        G  82  -3.016  30.539   7.032
  877    H4*    G  82           H4*        G  82  -2.263  28.675   9.256
  878    H3*    G  82           H3*        G  82  -0.912  30.770   7.619
  879    H2*    G  82           H2*        G  82   1.011  29.528   7.193
  880   2HO*    G  82          2HO*        G  82   1.523  27.656   8.517
  881    H1*    G  82           H1*        G  82  -0.010  26.990   7.046
  882    H8     G  82           H8         G  82  -2.526  28.946   5.157
  883    H1     G  82           H1         G  82   2.931  28.281   1.874
  884   1H2     G  82          1H2         G  82   4.538  27.549   3.216
  885   2H2     G  82          2H2         G  82   4.270  27.225   4.913
  886   1H5*    U  83          1H5*        U  83   2.442  29.932  10.450
  887   2H5*    U  83          2H5*        U  83   2.712  31.552  11.125
  888    H4*    U  83           H4*        U  83   4.783  30.561  10.210
  889    H3*    U  83           H3*        U  83   3.678  33.083   9.001
  890    H2*    U  83           H2*        U  83   5.268  33.085   7.277
  891   2HO*    U  83          2HO*        U  83   6.744  31.569   9.113
  892    H1*    U  83           H1*        U  83   5.414  30.388   6.797
  893    H3     U  83           H3         U  83   3.313  32.002   3.112
  894    H5     U  83           H5         U  83   0.346  32.048   6.106
  895    H6     U  83           H6         U  83   2.053  31.436   7.717
  896   1H5*    C  84          1H5*        C  84   7.421  33.706   9.115
  897   2H5*    C  84          2H5*        C  84   8.094  35.133   9.929
  898    H4*    C  84           H4*        C  84   8.910  35.198   7.698
  899    H3*    C  84           H3*        C  84   6.638  37.120   8.174
  900    H2*    C  84           H2*        C  84   6.558  37.711   5.921
  901   2HO*    C  84          2HO*        C  84   8.982  36.516   5.204
  902    H1*    C  84           H1*        C  84   7.379  35.278   4.804
  903   1H4     C  84          1H4         C  84   1.136  35.499   3.651
  904   2H4     C  84          2H4         C  84   0.777  35.259   5.346
  905    H5     C  84           H5         C  84   2.474  35.135   7.052
  906    H6     C  84           H6         C  84   4.882  35.227   7.502
  907   1H5*    C  85          1H5*        C  85   9.732  38.652   5.810
  908   2H5*    C  85          2H5*        C  85  10.409  40.165   6.443
  909    H4*    C  85           H4*        C  85  10.188  40.430   4.077
  910    H3*    C  85           H3*        C  85   8.055  41.895   5.640
  911    H2*    C  85           H2*        C  85   7.059  42.628   3.634
  912   2HO*    C  85          2HO*        C  85   9.477  41.821   2.359
  913    H1*    C  85           H1*        C  85   7.373  40.316   2.184
  914   1H4     C  85          1H4         C  85   1.502  39.797   4.582
  915   2H4     C  85          2H4         C  85   2.146  39.476   6.177
  916    H5     C  85           H5         C  85   4.497  39.513   6.682
  917    H6     C  85           H6         C  85   6.744  39.888   5.777
  918   1H5*    U  86          1H5*        U  86   8.949  43.942   2.438
  919   2H5*    U  86          2H5*        U  86   9.269  45.668   2.696
  920    H4*    U  86           H4*        U  86   7.514  45.264   0.992
  921    H3*    U  86           H3*        U  86   6.861  46.761   3.507
  922    H2*    U  86           H2*        U  86   4.607  46.548   3.219
  923   2HO*    U  86          2HO*        U  86   4.144  47.831   1.601
  924    H1*    U  86           H1*        U  86   4.743  44.654   0.970
  925    H3     U  86           H3         U  86   0.898  43.241   2.827
  926    H5     U  86           H5         U  86   3.752  42.639   5.873
  927    H6     U  86           H6         U  86   5.382  43.760   4.466
  928    H3T    U  86           H3T        U  86   6.443  48.330   1.710
  929   1HO1  MN6 101          1HO1      MN6 101   2.709 -39.154   4.638
  930   2HO1  MN6 101          2HO1      MN6 101   1.535 -38.260   4.112
  931   1HO2  MN6 101          1HO2      MN6 101   1.538 -42.126   0.853
  932   2HO2  MN6 101          2HO2      MN6 101   2.820 -41.317   0.456
  933   1HO3  MN6 101          1HO3      MN6 101   3.950 -39.077   1.801
  934   2HO3  MN6 101          2HO3      MN6 101   2.914 -37.978   2.218
  935   1HO4  MN6 101          1HO4      MN6 101   0.011 -41.623   3.399
  936   2HO4  MN6 101          2HO4      MN6 101   1.313 -41.867   4.236
  937   1HO5  MN6 101          1HO5      MN6 101   3.604 -41.332   3.966
  938   2HO5  MN6 101          2HO5      MN6 101   3.899 -41.740   2.482
  939   1HO6  MN6 101          1HO6      MN6 101  -0.236 -38.949   2.644
  940   2HO6  MN6 101          2HO6      MN6 101   0.559 -38.482   1.376
  941   1HO1  MN6 102          1HO1      MN6 102   4.365 -33.376  -7.814
  942   2HO1  MN6 102          2HO1      MN6 102   3.401 -32.801  -6.721
  943   1HO2  MN6 102          1HO2      MN6 102   6.036 -28.639  -7.590
  944   2HO2  MN6 102          2HO2      MN6 102   7.213 -29.631  -7.293
  945   1HO3  MN6 102          1HO3      MN6 102   6.540 -33.004  -7.426
  946   2HO3  MN6 102          2HO3      MN6 102   7.423 -31.802  -6.943
  947   1HO4  MN6 102          1HO4      MN6 102   2.842 -30.151  -7.954
  948   2HO4  MN6 102          2HO4      MN6 102   3.805 -28.917  -7.871
  949   1HO5  MN6 102          1HO5      MN6 102   5.129 -30.340  -4.838
  950   2HO5  MN6 102          2HO5      MN6 102   5.136 -31.903  -4.953
  951   1HO6  MN6 102          1HO6      MN6 102   6.074 -31.878  -9.339
  952   2HO6  MN6 102          2HO6      MN6 102   6.125 -30.312  -9.432
  953   1HO1  MN6 103          1HO1      MN6 103  -6.280 -15.112   0.380
  954   2HO1  MN6 103          2HO1      MN6 103  -6.887 -16.546   0.205
  955   1HO2  MN6 103          1HO2      MN6 103 -10.033 -14.584  -2.988
  956   2HO2  MN6 103          2HO2      MN6 103  -9.656 -13.178  -2.404
  957   1HO3  MN6 103          1HO3      MN6 103  -7.984 -16.386  -3.225
  958   2HO3  MN6 103          2HO3      MN6 103  -7.647 -14.910  -3.633
  959   1HO4  MN6 103          1HO4      MN6 103  -8.697 -13.032   0.323
  960   2HO4  MN6 103          2HO4      MN6 103  -8.279 -14.282   1.172
  961   1HO5  MN6 103          1HO5      MN6 103  -6.466 -13.542  -2.347
  962   2HO5  MN6 103          2HO5      MN6 103  -6.633 -12.987  -0.891
  963   1HO6  MN6 103          1HO6      MN6 103 -10.204 -16.426  -1.084
  964   2HO6  MN6 103          2HO6      MN6 103  -9.088 -16.935  -0.107
  965   1HO1  MN6 104          1HO1      MN6 104  -8.684  -4.058  -1.804
  966   2HO1  MN6 104          2HO1      MN6 104  -7.625  -3.200  -2.577
  967   1HO2  MN6 104          1HO2      MN6 104 -11.502  -0.341  -3.228
  968   2HO2  MN6 104          2HO2      MN6 104 -11.608  -0.174  -1.673
  969   1HO3  MN6 104          1HO3      MN6 104  -8.459   0.469  -2.535
  970   2HO3  MN6 104          2HO3      MN6 104  -7.468  -0.541  -1.860
  971   1HO4  MN6 104          1HO4      MN6 104 -11.540  -2.394  -0.718
  972   2HO4  MN6 104          2HO4      MN6 104 -10.713  -3.666  -1.109
  973   1HO5  MN6 104          1HO5      MN6 104  -8.757  -1.731   0.234
  974   2HO5  MN6 104          2HO5      MN6 104 -10.113  -0.945   0.256
  975   1HO6  MN6 104          1HO6      MN6 104  -9.338  -1.479  -4.550
  976   2HO6  MN6 104          2HO6      MN6 104  -9.316  -3.002  -4.180
  977   1HO1  MN6 105          1HO1      MN6 105 -12.458  13.936   5.861
  978   2HO1  MN6 105          2HO1      MN6 105 -11.616  13.531   7.118
  979   1HO2  MN6 105          1HO2      MN6 105 -13.961   9.495   5.478
  980   2HO2  MN6 105          2HO2      MN6 105 -12.558   9.077   4.920
  981   1HO3  MN6 105          1HO3      MN6 105 -13.907  12.832   4.589
  982   2HO3  MN6 105          2HO3      MN6 105 -12.930  12.121   3.591
  983   1HO4  MN6 105          1HO4      MN6 105 -11.723  11.568   8.289
  984   2HO4  MN6 105          2HO4      MN6 105 -10.620  10.737   7.548
  985   1HO5  MN6 105          1HO5      MN6 105 -14.216  12.817   6.950
  986   2HO5  MN6 105          2HO5      MN6 105 -14.049  11.553   7.862
  987   1HO6  MN6 105          1HO6      MN6 105 -10.281  10.404   5.120
  988   2HO6  MN6 105          2HO6      MN6 105 -11.193  10.758   3.895
  989   1HO1  MN6 106          1HO1      MN6 106  -3.742  39.706   6.730
  990   2HO1  MN6 106          2HO1      MN6 106  -4.338  40.662   5.641
  991   1HO2  MN6 106          1HO2      MN6 106  -1.537  38.684   2.417
  992   2HO2  MN6 106          2HO2      MN6 106  -0.642  38.002   3.507
  993   1HO3  MN6 106          1HO3      MN6 106  -3.759  40.697   2.996
  994   2HO3  MN6 106          2HO3      MN6 106  -3.049  41.821   3.827
  995   1HO4  MN6 106          1HO4      MN6 106  -2.219  38.188   6.670
  996   2HO4  MN6 106          2HO4      MN6 106  -0.902  37.904   5.867
  997   1HO5  MN6 106          1HO5      MN6 106  -3.886  37.665   4.260
  998   2HO5  MN6 106          2HO5      MN6 106  -3.765  38.478   2.925
  999   1HO6  MN6 106          1HO6      MN6 106  -1.099  41.701   5.018
 1000   2HO6  MN6 106          2HO6      MN6 106  -0.721  40.724   6.185
 1001   1HO1  MN6 107          1HO1      MN6 107   0.213  31.760  -7.111
 1002   2HO1  MN6 107          2HO1      MN6 107  -0.141  30.431  -7.861
 1003   1HO2  MN6 107          1HO2      MN6 107  -4.681  31.617  -7.088
 1004   2HO2  MN6 107          2HO2      MN6 107  -4.573  30.896  -5.700
 1005   1HO3  MN6 107          1HO3      MN6 107  -1.845  31.363  -9.096
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.364  31.653  -8.834
 1007   1HO4  MN6 107          1HO4      MN6 107  -1.044  31.280  -4.477
 1008   2HO4  MN6 107          2HO4      MN6 107  -2.571  31.488  -4.192
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.213  33.514  -7.086
 1010   2HO5  MN6 107          2HO5      MN6 107  -1.345  33.366  -5.531
 1011   1HO6  MN6 107          1HO6      MN6 107  -1.909  28.832  -6.903
 1012   2HO6  MN6 107          2HO6      MN6 107  -3.439  29.100  -6.698
 1013   1HO1  MN6 108          1HO1      MN6 108   5.615  13.468   2.457
 1014   2HO1  MN6 108          2HO1      MN6 108   6.279  12.055   2.600
 1015   1HO2  MN6 108          1HO2      MN6 108  10.568  14.423   2.193
 1016   2HO2  MN6 108          2HO2      MN6 108  10.199  14.110   0.703
 1017   1HO3  MN6 108          1HO3      MN6 108   8.512  12.587   4.324
 1018   2HO3  MN6 108          2HO3      MN6 108   9.890  13.168   3.853
 1019   1HO4  MN6 108          1HO4      MN6 108   7.909  14.637  -0.163
 1020   2HO4  MN6 108          2HO4      MN6 108   6.809  15.283   0.748
 1021   1HO5  MN6 108          1HO5      MN6 108   7.847  15.434   4.038
 1022   2HO5  MN6 108          2HO5      MN6 108   6.730  15.720   2.976
 1023   1HO6  MN6 108          1HO6      MN6 108   9.550  12.044   1.118
 1024   2HO6  MN6 108          2HO6      MN6 108   8.667  11.394   2.238
 1025   1HO1  MN6 109          1HO1      MN6 109   7.735   0.486   2.268
 1026   2HO1  MN6 109          2HO1      MN6 109   8.161   1.125   0.902
 1027   1HO2  MN6 109          1HO2      MN6 109  11.187   3.529   4.127
 1028   2HO2  MN6 109          2HO2      MN6 109  10.669   4.531   3.038
 1029   1HO3  MN6 109          1HO3      MN6 109  10.351   2.346   0.427
 1030   2HO3  MN6 109          2HO3      MN6 109   9.271   3.479   0.505
 1031   1HO4  MN6 109          1HO4      MN6 109   8.904   2.117   5.158
 1032   2HO4  MN6 109          2HO4      MN6 109   9.967   1.038   4.753
 1033   1HO5  MN6 109          1HO5      MN6 109  10.993   0.382   2.361
 1034   2HO5  MN6 109          2HO5      MN6 109  11.702   1.346   3.374
 1035   1HO6  MN6 109          1HO6      MN6 109   7.125   3.031   3.198
 1036   2HO6  MN6 109          2HO6      MN6 109   7.988   4.319   2.969
 1037   1HO1  MN6 110          1HO1      MN6 110   7.935 -11.489   9.525
 1038   2HO1  MN6 110          2HO1      MN6 110   8.744 -12.567  10.323
 1039   1HO2  MN6 110          1HO2      MN6 110  11.325 -11.324   6.129
 1040   2HO2  MN6 110          2HO2      MN6 110  11.502 -12.859   6.390
 1041   1HO3  MN6 110          1HO3      MN6 110  11.534 -12.593  10.270
 1042   2HO3  MN6 110          2HO3      MN6 110  12.493 -11.920   9.227
 1043   1HO4  MN6 110          1HO4      MN6 110   9.089 -11.622   6.080
 1044   2HO4  MN6 110          2HO4      MN6 110   8.391 -10.658   7.101
 1045   1HO5  MN6 110          1HO5      MN6 110  10.829  -9.494   7.622
 1046   2HO5  MN6 110          2HO5      MN6 110  11.005  -9.637   9.174
 1047   1HO6  MN6 110          1HO6      MN6 110   9.209 -14.080   8.705
 1048   2HO6  MN6 110          2HO6      MN6 110  10.244 -14.198   7.534
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   7.206 -46.335  -4.128
    2   2H5*    G   1          2H5*        G   1   8.208 -44.882  -4.318
    3    H4*    G   1           H4*        G   1   7.887 -45.421  -6.525
    4    H3*    G   1           H3*        G   1   5.686 -43.566  -5.691
    5    H2*    G   1           H2*        G   1   4.394 -43.961  -7.602
    6   2HO*    G   1          2HO*        G   1   6.771 -45.026  -8.763
    7    H1*    G   1           H1*        G   1   4.848 -46.630  -7.952
    8    H8     G   1           H8         G   1   4.590 -46.416  -4.268
    9    H1     G   1           H1         G   1  -1.107 -45.540  -7.066
   10   1H2     G   1          1H2         G   1  -0.839 -45.228  -9.245
   11   2H2     G   1          2H2         G   1   0.734 -45.231 -10.010
   12    H5T    G   1           H5T        G   1   5.420 -44.610  -4.262
   13   1H5*    G   2          1H5*        G   2   5.892 -42.779  -9.303
   14   2H5*    G   2          2H5*        G   2   6.348 -41.132  -9.782
   15    H4*    G   2           H4*        G   2   4.287 -41.739 -10.899
   16    H3*    G   2           H3*        G   2   4.016 -39.684  -8.705
   17    H2*    G   2           H2*        G   2   1.698 -39.664  -8.926
   18   2HO*    G   2          2HO*        G   2   2.070 -40.729 -11.546
   19    H1*    G   2           H1*        G   2   1.348 -42.311  -9.861
   20    H8     G   2           H8         G   2   3.262 -42.248  -6.611
   21    H1     G   2           H1         G   2  -3.074 -41.713  -5.837
   22   1H2     G   2          1H2         G   2  -4.048 -41.355  -7.787
   23   2H2     G   2          2H2         G   2  -3.147 -41.254  -9.283
   24   1H5*    G   3          1H5*        G   3   2.123 -38.573 -11.931
   25   2H5*    G   3          2H5*        G   3   2.397 -37.024 -12.755
   26    H4*    G   3           H4*        G   3   0.038 -37.261 -12.519
   27    H3*    G   3           H3*        G   3   1.234 -35.335 -10.528
   28    H2*    G   3           H2*        G   3  -0.819 -35.061  -9.461
   29   2HO*    G   3          2HO*        G   3  -1.862 -35.739 -11.991
   30    H1*    G   3           H1*        G   3  -1.909 -37.604  -9.983
   31    H8     G   3           H8         G   3   1.578 -37.542  -8.394
   32    H1     G   3           H1         G   3  -3.252 -37.368  -4.196
   33   1H2     G   3          1H2         G   3  -5.181 -37.106  -5.277
   34   2H2     G   3          2H2         G   3  -5.270 -36.973  -7.017
   35   1H5*    A   4          1H5*        A   4  -2.278 -33.907 -12.103
   36   2H5*    A   4          2H5*        A   4  -2.123 -32.349 -12.940
   37    H4*    A   4           H4*        A   4  -4.101 -32.201 -11.634
   38    H3*    A   4           H3*        A   4  -1.768 -30.723 -10.442
   39    H2*    A   4           H2*        A   4  -2.918 -30.263  -8.466
   40   2HO*    A   4          2HO*        A   4  -5.446 -31.002  -8.974
   41    H1*    A   4           H1*        A   4  -4.489 -32.547  -8.297
   42    H8     A   4           H8         A   4  -0.715 -32.882  -9.089
   43   1H6     A   4          1H6         A   4  -0.014 -33.820  -3.029
   44   2H6     A   4          2H6         A   4   0.787 -33.795  -4.583
   45    H2     A   4           H2         A   4  -4.325 -32.788  -3.775
   46   1H5*    U   5          1H5*        U   5  -5.313 -28.599  -9.690
   47   2H5*    U   5          2H5*        U   5  -5.066 -26.844  -9.794
   48    H4*    U   5           H4*        U   5  -5.906 -27.697  -7.564
   49    H3*    U   5           H3*        U   5  -3.420 -26.026  -7.841
   50    H2*    U   5           H2*        U   5  -2.821 -26.328  -5.618
   51   2HO*    U   5          2HO*        U   5  -4.515 -25.639  -4.489
   52    H1*    U   5           H1*        U   5  -4.047 -28.824  -5.145
   53    H3     U   5           H3         U   5   0.195 -29.845  -4.079
   54    H5     U   5           H5         U   5   0.391 -29.032  -8.211
   55    H6     U   5           H6         U   5  -1.935 -28.342  -8.116
   56   1H5*    A   6          1H5*        A   6  -7.229 -21.394  -6.127
   57   2H5*    A   6          2H5*        A   6  -5.515 -21.539  -5.695
   58    H4*    A   6           H4*        A   6  -7.562 -23.439  -4.556
   59    H3*    A   6           H3*        A   6  -7.801 -20.715  -4.055
   60    H2*    A   6           H2*        A   6  -5.826 -20.336  -2.883
   61   2HO*    A   6          2HO*        A   6  -7.052 -21.827  -0.809
   62    H1*    A   6           H1*        A   6  -5.662 -23.071  -1.704
   63    H8     A   6           H8         A   6  -3.626 -21.527  -4.574
   64   1H6     A   6          1H6         A   6   1.057 -21.243  -0.564
   65   2H6     A   6          2H6         A   6   0.574 -20.993  -2.225
   66    H2     A   6           H2         A   6  -2.581 -22.649   1.657
   67   1H5*    U   7          1H5*        U   7  -9.325 -20.916   1.281
   68   2H5*    U   7          2H5*        U   7  -7.704 -20.507   0.684
   69    H4*    U   7           H4*        U   7  -8.426 -22.184   2.882
   70    H3*    U   7           H3*        U   7  -5.870 -21.195   1.664
   71    H2*    U   7           H2*        U   7  -4.666 -23.044   2.301
   72   2HO*    U   7          2HO*        U   7  -4.709 -23.767   4.336
   73    H1*    U   7           H1*        U   7  -6.900 -24.759   3.026
   74    H3     U   7           H3         U   7  -5.633 -28.154   0.417
   75    H5     U   7           H5         U   7  -3.748 -24.846  -1.388
   76    H6     U   7           H6         U   7  -4.840 -23.417   0.235
   77   1H5*    G   8          1H5*        G   8  -3.651 -21.267   3.069
   78   2H5*    G   8          2H5*        G   8  -2.983 -21.709   4.653
   79    H4*    G   8           H4*        G   8  -1.318 -20.190   4.515
   80    H3*    G   8           H3*        G   8  -3.431 -18.328   3.524
   81    H2*    G   8           H2*        G   8  -2.049 -17.192   2.058
   82   2HO*    G   8          2HO*        G   8  -0.365 -17.383   4.109
   83    H1*    G   8           H1*        G   8  -0.134 -19.149   1.496
   84    H8     G   8           H8         G   8  -3.838 -20.092   1.070
   85    H1     G   8           H1         G   8  -1.084 -17.666  -4.175
   86   1H2     G   8          1H2         G   8   0.947 -16.924  -3.696
   87   2H2     G   8          2H2         G   8   1.628 -17.021  -2.090
   88   1H5*    G   9          1H5*        G   9  -3.986 -14.515   3.751
   89   2H5*    G   9          2H5*        G   9  -3.701 -16.082   2.969
   90    H4*    G   9           H4*        G   9  -1.658 -13.943   2.544
   91    H3*    G   9           H3*        G   9  -4.463 -13.815   1.443
   92    H2*    G   9           H2*        G   9  -3.661 -13.316  -0.695
   93   2HO*    G   9          2HO*        G   9  -1.048 -12.839   0.287
   94    H1*    G   9           H1*        G   9  -1.382 -14.879  -0.654
   95    H8     G   9           H8         G   9  -4.036 -17.075   0.718
   96    H1     G   9           H1         G   9  -4.827 -16.061  -5.556
   97   1H2     G   9          1H2         G   9  -3.488 -14.424  -6.228
   98   2H2     G   9          2H2         G   9  -2.405 -13.584  -5.140
   99   1H5*    A  10          1H5*        A  10  -0.214 -10.427  -0.041
  100   2H5*    A  10          2H5*        A  10  -0.830  -8.901   0.625
  101    H4*    A  10           H4*        A  10  -0.521  -8.913  -1.875
  102    H3*    A  10           H3*        A  10  -3.187  -8.308  -0.610
  103    H2*    A  10           H2*        A  10  -4.276  -8.303  -2.652
  104   2HO*    A  10          2HO*        A  10  -2.851  -8.035  -4.640
  105    H1*    A  10           H1*        A  10  -2.531 -10.003  -4.096
  106    H8     A  10           H8         A  10  -4.203 -11.211  -0.834
  107   1H6     A  10          1H6         A  10  -8.562 -13.596  -4.508
  108   2H6     A  10          2H6         A  10  -7.981 -13.468  -2.863
  109    H2     A  10           H2         A  10  -5.741 -11.220  -7.072
  110   1H5*    A  11          1H5*        A  11  -1.721  -5.559  -3.921
  111   2H5*    A  11          2H5*        A  11  -2.407  -3.933  -3.726
  112    H4*    A  11           H4*        A  11  -2.674  -4.931  -6.024
  113    H3*    A  11           H3*        A  11  -5.115  -4.103  -4.434
  114    H2*    A  11           H2*        A  11  -6.489  -4.785  -6.219
  115   2HO*    A  11          2HO*        A  11  -4.781  -5.449  -8.161
  116    H1*    A  11           H1*        A  11  -5.002  -6.997  -7.004
  117    H8     A  11           H8         A  11  -5.546  -6.630  -3.218
  118   1H6     A  11          1H6         A  11 -10.664  -9.989  -4.087
  119   2H6     A  11          2H6         A  11  -9.612  -9.260  -2.896
  120    H2     A  11           H2         A  11  -8.949  -9.005  -8.119
  121   1H5*    G  12          1H5*        G  12  -5.496  -1.648  -8.175
  122   2H5*    G  12          2H5*        G  12  -6.218  -0.112  -7.655
  123    H4*    G  12           H4*        G  12  -7.539  -1.370  -9.391
  124    H3*    G  12           H3*        G  12  -8.787  -0.693  -6.718
  125    H2*    G  12           H2*        G  12 -10.783  -1.747  -7.387
  126   2HO*    G  12          2HO*        G  12 -10.108  -2.236 -10.024
  127    H1*    G  12           H1*        G  12  -9.643  -3.817  -8.839
  128    H8     G  12           H8         G  12  -7.884  -3.281  -5.506
  129    H1     G  12           H1         G  12 -13.250  -6.736  -5.074
  130   1H2     G  12          1H2         G  12 -14.347  -6.677  -7.007
  131   2H2     G  12          2H2         G  12 -13.757  -5.788  -8.392
  132   1H5*    A  13          1H5*        A  13 -11.492   0.060  -9.177
  133   2H5*    A  13          2H5*        A  13 -11.959   1.753  -9.431
  134    H4*    A  13           H4*        A  13 -14.029   0.756  -9.220
  135    H3*    A  13           H3*        A  13 -13.174   1.631  -6.459
  136    H2*    A  13           H2*        A  13 -15.037   0.590  -5.498
  137   2HO*    A  13          2HO*        A  13 -16.148   0.874  -8.082
  138    H1*    A  13           H1*        A  13 -15.244  -1.579  -7.229
  139    H8     A  13           H8         A  13 -11.778  -0.670  -5.773
  140   1H6     A  13          1H6         A  13 -13.052  -4.886  -1.440
  141   2H6     A  13          2H6         A  13 -11.833  -3.810  -2.085
  142    H2     A  13           H2         A  13 -16.716  -4.371  -3.992
  143   1H5*    A  14          1H5*        A  14 -17.527   2.386  -7.650
  144   2H5*    A  14          2H5*        A  14 -17.865   4.050  -7.134
  145    H4*    A  14           H4*        A  14 -19.740   2.581  -6.583
  146    H3*    A  14           H3*        A  14 -18.161   3.713  -4.273
  147    H2*    A  14           H2*        A  14 -19.482   2.520  -2.727
  148   2HO*    A  14          2HO*        A  14 -21.317   1.347  -4.335
  149    H1*    A  14           H1*        A  14 -19.701   0.174  -4.119
  150    H8     A  14           H8         A  14 -16.284   1.951  -4.337
  151   1H6     A  14          1H6         A  14 -14.655  -1.571   0.463
  152   2H6     A  14          2H6         A  14 -14.099  -0.421  -0.731
  153    H2     A  14           H2         A  14 -19.038  -2.217  -0.299
  154   1H5*    C  15          1H5*        C  15 -22.035   4.515  -2.871
  155   2H5*    C  15          2H5*        C  15 -22.074   6.200  -2.317
  156    H4*    C  15           H4*        C  15 -22.688   4.710  -0.493
  157    H3*    C  15           H3*        C  15 -20.003   6.074  -0.213
  158    H2*    C  15           H2*        C  15 -19.615   4.943   1.793
  159   2HO*    C  15          2HO*        C  15 -21.194   4.366   3.171
  160    H1*    C  15           H1*        C  15 -21.075   2.599   1.211
  161   1H4     C  15          1H4         C  15 -15.005   0.736   0.935
  162   2H4     C  15          2H4         C  15 -14.747   1.675  -0.517
  163    H5     C  15           H5         C  15 -16.433   3.087  -1.494
  164    H6     C  15           H6         C  15 -18.717   3.945  -1.268
  165   1H5*    C  16          1H5*        C  16 -21.702   6.217   3.255
  166   2H5*    C  16          2H5*        C  16 -21.756   7.776   4.100
  167    H4*    C  16           H4*        C  16 -20.710   6.215   5.577
  168    H3*    C  16           H3*        C  16 -18.742   8.098   4.266
  169    H2*    C  16           H2*        C  16 -16.959   6.992   5.272
  170   2HO*    C  16          2HO*        C  16 -18.871   6.404   7.254
  171    H1*    C  16           H1*        C  16 -18.163   4.435   5.504
  172   1H4     C  16          1H4         C  16 -13.577   3.595   1.203
  173   2H4     C  16          2H4         C  16 -14.339   4.716   0.096
  174    H5     C  16           H5         C  16 -16.355   5.933   0.627
  175    H6     C  16           H6         C  16 -18.049   6.361   2.347
  176   1H5*    G  17          1H5*        G  17 -19.081   8.113   9.126
  177   2H5*    G  17          2H5*        G  17 -18.505   9.737   9.551
  178    H4*    G  17           H4*        G  17 -17.623   7.947  11.047
  179    H3*    G  17           H3*        G  17 -15.702   9.600   9.403
  180    H2*    G  17           H2*        G  17 -13.878   8.378  10.246
  181   2HO*    G  17          2HO*        G  17 -15.662   7.807  12.341
  182    H1*    G  17           H1*        G  17 -15.064   5.888  10.284
  183    H8     G  17           H8         G  17 -16.044   7.692   7.111
  184    H1     G  17           H1         G  17 -10.203   5.097   6.835
  185   1H2     G  17          1H2         G  17  -9.587   4.395   8.854
  186   2H2     G  17          2H2         G  17 -10.610   4.573  10.263
  187   1H5*    G  18          1H5*        G  18 -13.636   8.959  12.533
  188   2H5*    G  18          2H5*        G  18 -13.468  10.432  13.508
  189    H4*    G  18           H4*        G  18 -11.296   9.529  13.421
  190    H3*    G  18           H3*        G  18 -11.613  11.724  11.370
  191    H2*    G  18           H2*        G  18  -9.486  11.306  10.527
  192   2HO*    G  18          2HO*        G  18  -8.378   9.728  12.433
  193    H1*    G  18           H1*        G  18  -9.308   8.561  11.246
  194    H8     G  18           H8         G  18 -12.288   9.413   9.047
  195    H1     G  18           H1         G  18  -6.886   8.407   5.763
  196   1H2     G  18          1H2         G  18  -5.165   8.256   7.158
  197   2H2     G  18          2H2         G  18  -5.344   8.407   8.891
  198   1H5*    G  19          1H5*        G  19  -7.745  11.829  12.749
  199   2H5*    G  19          2H5*        G  19  -7.529  13.358  13.624
  200    H4*    G  19           H4*        G  19  -5.609  13.137  12.259
  201    H3*    G  19           H3*        G  19  -7.625  15.038  11.064
  202    H2*    G  19           H2*        G  19  -6.378  15.245   9.119
  203   2HO*    G  19          2HO*        G  19  -4.099  14.881   9.104
  204    H1*    G  19           H1*        G  19  -5.031  12.743   9.220
  205    H8     G  19           H8         G  19  -8.889  13.085   9.151
  206    H1     G  19           H1         G  19  -6.134  12.142   3.448
  207   1H2     G  19          1H2         G  19  -3.923  12.136   3.662
  208   2H2     G  19          2H2         G  19  -3.130  12.366   5.204
  209   1H5*    G  20          1H5*        G  20  -6.621  19.445  10.838
  210   2H5*    G  20          2H5*        G  20  -7.771  18.915   9.595
  211    H4*    G  20           H4*        G  20  -4.796  19.124   9.497
  212    H3*    G  20           H3*        G  20  -7.105  19.755   7.686
  213    H2*    G  20           H2*        G  20  -5.953  19.109   5.741
  214   2HO*    G  20          2HO*        G  20  -3.735  18.928   5.636
  215    H1*    G  20           H1*        G  20  -4.733  16.875   6.655
  216    H8     G  20           H8         G  20  -7.953  16.856   8.542
  217    H1     G  20           H1         G  20  -8.822  15.415   2.368
  218   1H2     G  20          1H2         G  20  -6.971  15.786   1.234
  219   2H2     G  20          2H2         G  20  -5.514  16.400   1.981
  220   1H5*    A  21          1H5*        A  21  -8.665  23.112   6.843
  221   2H5*    A  21          2H5*        A  21  -8.289  21.529   6.133
  222    H4*    A  21           H4*        A  21  -9.019  23.794   4.732
  223    H3*    A  21           H3*        A  21  -7.857  21.159   4.000
  224    H2*    A  21           H2*        A  21  -6.777  21.860   2.058
  225   2HO*    A  21          2HO*        A  21  -8.593  24.053   2.090
  226    H1*    A  21           H1*        A  21  -6.023  24.393   2.715
  227    H8     A  21           H8         A  21  -5.578  22.196   5.774
  228   1H6     A  21          1H6         A  21  -0.009  20.773   3.547
  229   2H6     A  21          2H6         A  21  -1.080  20.667   4.926
  230    H2     A  21           H2         A  21  -2.237  23.013   0.348
  231   1H5*    A  22          1H5*        A  22  -9.441  18.314   0.829
  232   2H5*    A  22          2H5*        A  22  -8.436  18.914   2.163
  233    H4*    A  22           H4*        A  22  -8.334  20.210  -0.561
  234    H3*    A  22           H3*        A  22  -7.067  17.608   0.245
  235    H2*    A  22           H2*        A  22  -4.947  18.268  -0.429
  236   2HO*    A  22          2HO*        A  22  -4.731  20.075  -1.967
  237    H1*    A  22           H1*        A  22  -5.170  21.040  -0.072
  238    H8     A  22           H8         A  22  -6.000  20.223   3.271
  239   1H6     A  22          1H6         A  22  -0.261  18.198   4.310
  240   2H6     A  22          2H6         A  22  -1.755  18.725   5.051
  241    H2     A  22           H2         A  22  -0.867  18.411  -0.139
  242   1H5*    A  23          1H5*        A  23  -5.853  17.082  -4.863
  243   2H5*    A  23          2H5*        A  23  -6.336  15.430  -4.428
  244    H4*    A  23           H4*        A  23  -3.915  15.917  -5.336
  245    H3*    A  23           H3*        A  23  -4.751  14.025  -3.163
  246    H2*    A  23           H2*        A  23  -2.550  13.650  -2.431
  247   2HO*    A  23          2HO*        A  23  -1.358  15.042  -4.561
  248    H1*    A  23           H1*        A  23  -1.550  16.157  -2.648
  249    H8     A  23           H8         A  23  -5.246  15.836  -1.574
  250   1H6     A  23          1H6         A  23  -3.125  16.258   4.211
  251   2H6     A  23          2H6         A  23  -4.563  16.209   3.210
  252    H2     A  23           H2         A  23   0.424  16.058   1.433
  253   1H5*    C  24          1H5*        C  24  -2.248  11.719  -4.656
  254   2H5*    C  24          2H5*        C  24  -2.687  10.009  -4.831
  255    H4*    C  24           H4*        C  24  -1.018  10.487  -3.011
  256    H3*    C  24           H3*        C  24  -3.656   9.159  -2.360
  257    H2*    C  24           H2*        C  24  -3.066   9.080  -0.086
  258   2HO*    C  24          2HO*        C  24  -0.820   9.593   0.526
  259    H1*    C  24           H1*        C  24  -1.747  11.511   0.054
  260   1H4     C  24          1H4         C  24  -7.588  12.589   2.363
  261   2H4     C  24          2H4         C  24  -8.253  12.604   0.744
  262    H5     C  24           H5         C  24  -6.933  12.169  -1.230
  263    H6     C  24           H6         C  24  -4.714  11.554  -2.066
  264   1H5*    U  25          1H5*        U  25  -1.013   7.501  -0.318
  265   2H5*    U  25          2H5*        U  25  -0.815   5.738  -0.326
  266    H4*    U  25           H4*        U  25  -1.028   6.535   1.961
  267    H3*    U  25           H3*        U  25  -3.377   4.953   0.903
  268    H2*    U  25           H2*        U  25  -4.543   5.285   2.900
  269   2HO*    U  25          2HO*        U  25  -3.197   6.122   4.789
  270    H1*    U  25           H1*        U  25  -3.431   7.784   3.597
  271    H3     U  25           H3         U  25  -7.898   8.575   3.464
  272    H5     U  25           H5         U  25  -6.771   8.211  -0.585
  273    H6     U  25           H6         U  25  -4.570   7.514   0.158
  274   1H5*    U  26          1H5*        U  26  -2.489   3.963   4.464
  275   2H5*    U  26          2H5*        U  26  -1.814   2.365   4.840
  276    H4*    U  26           H4*        U  26  -3.273   2.597   6.599
  277    H3*    U  26           H3*        U  26  -4.873   1.357   4.357
  278    H2*    U  26           H2*        U  26  -6.835   1.545   5.607
  279   2HO*    U  26          2HO*        U  26  -6.434   2.167   8.011
  280    H1*    U  26           H1*        U  26  -6.219   3.888   7.005
  281    H3     U  26           H3         U  26  -9.787   5.379   4.708
  282    H5     U  26           H5         U  26  -7.081   4.283   1.671
  283    H6     U  26           H6         U  26  -5.584   3.457   3.391
  284   1H5*    G  27          1H5*        G  27  -5.757  -0.362   8.015
  285   2H5*    G  27          2H5*        G  27  -6.370  -2.027   7.959
  286    H4*    G  27           H4*        G  27  -7.982  -0.319   8.879
  287    H3*    G  27           H3*        G  27  -8.762  -1.938   6.436
  288    H2*    G  27           H2*        G  27 -10.823  -0.829   6.415
  289   2HO*    G  27          2HO*        G  27 -11.089  -1.327   8.754
  290    H1*    G  27           H1*        G  27  -9.907   1.598   7.574
  291    H8     G  27           H8         G  27  -8.175   0.354   4.373
  292    H1     G  27           H1         G  27 -13.355   3.987   3.396
  293   1H2     G  27          1H2         G  27 -14.371   4.383   5.332
  294   2H2     G  27          2H2         G  27 -13.773   3.751   6.850
  295   1H5*    G  28          1H5*        G  28 -11.582  -3.442   9.878
  296   2H5*    G  28          2H5*        G  28 -11.774  -5.172   9.533
  297    H4*    G  28           H4*        G  28 -13.954  -4.102   9.809
  298    H3*    G  28           H3*        G  28 -13.276  -5.056   7.020
  299    H2*    G  28           H2*        G  28 -15.337  -4.249   6.228
  300   2HO*    G  28          2HO*        G  28 -16.268  -5.106   8.466
  301    H1*    G  28           H1*        G  28 -15.480  -1.960   7.777
  302    H8     G  28           H8         G  28 -12.029  -2.658   6.250
  303    H1     G  28           H1         G  28 -16.017   0.517   2.376
  304   1H2     G  28          1H2         G  28 -18.032   0.642   3.305
  305   2H2     G  28          2H2         G  28 -18.401  -0.078   4.855
  306   1H5*    U  29          1H5*        U  29 -17.213  -7.051   7.769
  307   2H5*    U  29          2H5*        U  29 -16.964  -8.718   7.215
  308    H4*    U  29           H4*        U  29 -18.925  -7.711   6.140
  309    H3*    U  29           H3*        U  29 -16.561  -8.326   4.360
  310    H2*    U  29           H2*        U  29 -17.682  -7.429   2.516
  311   2HO*    U  29          2HO*        U  29 -19.715  -7.854   2.225
  312    H1*    U  29           H1*        U  29 -19.137  -5.441   3.853
  313    H3     U  29           H3         U  29 -16.573  -3.063   0.975
  314    H5     U  29           H5         U  29 -13.822  -4.550   3.807
  315    H6     U  29           H6         U  29 -15.626  -5.846   4.780
  316   1H5*    U  30          1H5*        U  30 -20.321  -9.911   2.667
  317   2H5*    U  30          2H5*        U  30 -20.011 -11.499   1.938
  318    H4*    U  30           H4*        U  30 -21.191  -9.968   0.393
  319    H3*    U  30           H3*        U  30 -18.399 -10.860  -0.354
  320    H2*    U  30           H2*        U  30 -18.518  -9.588  -2.331
  321   2HO*    U  30          2HO*        U  30 -21.202  -8.874  -2.073
  322    H1*    U  30           H1*        U  30 -19.904  -7.425  -1.300
  323    H3     U  30           H3         U  30 -15.861  -5.632  -2.215
  324    H5     U  30           H5         U  30 -15.135  -8.106   1.120
  325    H6     U  30           H6         U  30 -17.416  -8.915   0.932
  326   1H5*    C  31          1H5*        C  31 -20.634 -11.261  -3.770
  327   2H5*    C  31          2H5*        C  31 -20.184 -12.699  -4.708
  328    H4*    C  31           H4*        C  31 -19.872 -10.582  -5.971
  329    H3*    C  31           H3*        C  31 -17.432 -12.264  -5.358
  330    H2*    C  31           H2*        C  31 -16.070 -10.683  -6.392
  331   2HO*    C  31          2HO*        C  31 -18.391 -10.145  -7.888
  332    H1*    C  31           H1*        C  31 -17.683  -8.405  -5.896
  333   1H4     C  31          1H4         C  31 -12.539  -7.514  -2.277
  334   2H4     C  31          2H4         C  31 -13.011  -8.827  -1.222
  335    H5     C  31           H5         C  31 -14.935 -10.219  -1.626
  336    H6     C  31           H6         C  31 -16.809 -10.668  -3.139
  337   1H5*    U  32          1H5*        U  32 -17.528 -11.580  -9.768
  338   2H5*    U  32          2H5*        U  32 -17.180 -13.145 -10.531
  339    H4*    U  32           H4*        U  32 -15.750 -11.404 -11.473
  340    H3*    U  32           H3*        U  32 -14.424 -13.538  -9.810
  341    H2*    U  32           H2*        U  32 -12.345 -12.480  -9.951
  342   2HO*    U  32          2HO*        U  32 -12.942 -10.542 -11.816
  343    H1*    U  32           H1*        U  32 -13.193  -9.839  -9.949
  344    H3     U  32           H3         U  32 -10.993  -9.996  -6.026
  345    H5     U  32           H5         U  32 -14.349 -12.449  -5.367
  346    H6     U  32           H6         U  32 -14.919 -12.184  -7.712
  347   1H5*    U  33          1H5*        U  33 -12.346 -12.723 -13.653
  348   2H5*    U  33          2H5*        U  33 -11.631 -14.211 -14.303
  349    H4*    U  33           H4*        U  33 -10.040 -12.271 -14.123
  350    H3*    U  33           H3*        U  33  -9.496 -14.900 -12.762
  351    H2*    U  33           H2*        U  33  -7.644 -14.061 -11.641
  352   2HO*    U  33          2HO*        U  33  -6.778 -11.902 -12.555
  353    H1*    U  33           H1*        U  33  -8.393 -11.350 -11.487
  354    H3     U  33           H3         U  33  -7.809 -12.292  -7.116
  355    H5     U  33           H5         U  33 -11.147 -14.623  -8.203
  356    H6     U  33           H6         U  33 -10.796 -13.937 -10.505
  357   1H5*    C  34          1H5*        C  34  -4.517 -16.014 -14.501
  358   2H5*    C  34          2H5*        C  34  -5.566 -16.197 -13.080
  359    H4*    C  34           H4*        C  34  -3.810 -13.775 -13.595
  360    H3*    C  34           H3*        C  34  -3.185 -16.355 -12.192
  361    H2*    C  34           H2*        C  34  -2.394 -15.297 -10.277
  362   2HO*    C  34          2HO*        C  34  -1.421 -13.339 -10.293
  363    H1*    C  34           H1*        C  34  -3.978 -13.011 -10.293
  364   1H4     C  34          1H4         C  34  -6.319 -16.987  -5.855
  365   2H4     C  34          2H4         C  34  -7.449 -17.590  -7.047
  366    H5     C  34           H5         C  34  -7.397 -16.940  -9.366
  367    H6     C  34           H6         C  34  -6.221 -15.613 -11.055
  368   1H5*    C  35          1H5*        C  35   1.207 -14.031 -11.679
  369   2H5*    C  35          2H5*        C  35   1.969 -15.486 -12.353
  370    H4*    C  35           H4*        C  35   2.845 -14.708 -10.097
  371    H3*    C  35           H3*        C  35   1.870 -17.506 -10.617
  372    H2*    C  35           H2*        C  35   1.975 -18.088  -8.375
  373   2HO*    C  35          2HO*        C  35   4.109 -16.288  -8.390
  374    H1*    C  35           H1*        C  35   1.655 -15.524  -7.220
  375   1H4     C  35          1H4         C  35  -3.720 -18.574  -5.735
  376   2H4     C  35          2H4         C  35  -4.245 -18.520  -7.402
  377    H5     C  35           H5         C  35  -2.889 -17.647  -9.185
  378    H6     C  35           H6         C  35  -0.732 -16.640  -9.764
  379   1H5*    U  36          1H5*        U  36   6.294 -20.030  -8.932
  380   2H5*    U  36          2H5*        U  36   4.685 -20.774  -8.836
  381    H4*    U  36           H4*        U  36   6.323 -19.482  -6.660
  382    H3*    U  36           H3*        U  36   5.033 -22.161  -7.099
  383    H2*    U  36           H2*        U  36   4.275 -22.309  -4.906
  384   2HO*    U  36          2HO*        U  36   6.198 -20.336  -4.172
  385    H1*    U  36           H1*        U  36   3.951 -19.588  -4.328
  386    H3     U  36           H3         U  36  -0.107 -21.604  -3.734
  387    H5     U  36           H5         U  36   0.213 -20.937  -7.884
  388    H6     U  36           H6         U  36   2.528 -20.296  -7.533
  389   1H5*    A  37          1H5*        A  37   7.228 -23.103  -3.160
  390   2H5*    A  37          2H5*        A  37   8.022 -24.579  -3.745
  391    H4*    A  37           H4*        A  37   6.382 -24.647  -1.678
  392    H3*    A  37           H3*        A  37   7.300 -26.637  -3.399
  393    H2*    A  37           H2*        A  37   5.411 -26.857  -4.759
  394   2HO*    A  37          2HO*        A  37   4.191 -28.522  -4.031
  395    H1*    A  37           H1*        A  37   3.490 -26.157  -2.563
  396    H8     A  37           H8         A  37   4.631 -25.321  -6.188
  397   1H6     A  37          1H6         A  37  -1.365 -24.329  -7.284
  398   2H6     A  37          2H6         A  37   0.235 -24.393  -7.988
  399    H2     A  37           H2         A  37  -0.895 -25.266  -2.911
  400   1H5*    A  38          1H5*        A  38   7.358 -29.916   0.978
  401   2H5*    A  38          2H5*        A  38   5.790 -29.292   0.425
  402    H4*    A  38           H4*        A  38   7.060 -29.127   3.148
  403    H3*    A  38           H3*        A  38   4.608 -30.310   2.007
  404    H2*    A  38           H2*        A  38   3.049 -29.236   3.342
  405   2HO*    A  38          2HO*        A  38   3.373 -29.285   5.410
  406    H1*    A  38           H1*        A  38   4.259 -26.850   3.905
  407    H8     A  38           H8         A  38   5.048 -27.063   0.333
  408   1H6     A  38          1H6         A  38  -0.840 -25.728  -0.962
  409   2H6     A  38          2H6         A  38   0.777 -25.872  -1.610
  410    H2     A  38           H2         A  38  -0.584 -26.751   3.407
  411   1H5*    G  39          1H5*        G  39   2.722 -33.835   5.452
  412   2H5*    G  39          2H5*        G  39   2.460 -33.520   3.725
  413    H4*    G  39           H4*        G  39   1.056 -32.375   6.116
  414    H3*    G  39           H3*        G  39   0.275 -33.756   3.589
  415    H2*    G  39           H2*        G  39  -1.459 -32.291   3.057
  416   2HO*    G  39          2HO*        G  39  -2.037 -32.448   5.527
  417    H1*    G  39           H1*        G  39  -0.456 -29.921   3.981
  418    H8     G  39           H8         G  39   2.548 -31.381   2.411
  419    H1     G  39           H1         G  39  -1.726 -29.529  -1.982
  420   1H2     G  39          1H2         G  39  -3.685 -29.131  -1.016
  421   2H2     G  39          2H2         G  39  -3.940 -29.322   0.704
  422   1H5*    U  40          1H5*        U  40  -3.570 -33.478   5.610
  423   2H5*    U  40          2H5*        U  40  -4.180 -35.142   5.717
  424    H4*    U  40           H4*        U  40  -5.834 -33.603   4.716
  425    H3*    U  40           H3*        U  40  -4.758 -35.907   3.126
  426    H2*    U  40           H2*        U  40  -5.735 -35.191   1.129
  427   2HO*    U  40          2HO*        U  40  -7.485 -33.704   2.802
  428    H1*    U  40           H1*        U  40  -5.538 -32.464   1.435
  429    H3     U  40           H3         U  40  -2.695 -33.392  -1.984
  430    H5     U  40           H5         U  40  -0.605 -34.579   1.481
  431    H6     U  40           H6         U  40  -2.625 -34.172   2.761
  432   1H5*    C  41          1H5*        C  41  -8.311 -35.801   2.202
  433   2H5*    C  41          2H5*        C  41  -9.475 -37.124   2.419
  434    H4*    C  41           H4*        C  41  -9.574 -36.634   0.121
  435    H3*    C  41           H3*        C  41  -7.797 -39.012   0.649
  436    H2*    C  41           H2*        C  41  -7.129 -39.109  -1.578
  437   2HO*    C  41          2HO*        C  41  -8.423 -38.595  -3.231
  438    H1*    C  41           H1*        C  41  -7.325 -36.382  -2.211
  439   1H4     C  41          1H4         C  41  -1.076 -37.480  -1.897
  440   2H4     C  41          2H4         C  41  -1.162 -37.682  -0.162
  441    H5     C  41           H5         C  41  -3.228 -37.624   1.076
  442    H6     C  41           H6         C  41  -5.661 -37.370   0.914
  443   1H5*    C  42          1H5*        C  42 -10.548 -39.366  -2.778
  444   2H5*    C  42          2H5*        C  42 -11.352 -40.948  -2.737
  445    H4*    C  42           H4*        C  42 -10.616 -40.453  -5.002
  446    H3*    C  42           H3*        C  42  -9.143 -42.672  -3.582
  447    H2*    C  42           H2*        C  42  -7.713 -42.960  -5.422
  448   2HO*    C  42          2HO*        C  42  -8.417 -41.550  -7.405
  449    H1*    C  42           H1*        C  42  -7.465 -40.310  -6.162
  450   1H4     C  42          1H4         C  42  -2.245 -41.402  -2.694
  451   2H4     C  42          2H4         C  42  -3.191 -41.434  -1.224
  452    H5     C  42           H5         C  42  -5.587 -41.255  -1.194
  453    H6     C  42           H6         C  42  -7.604 -41.010  -2.565
  454   1H5*    U  43          1H5*        U  43  -9.462 -43.486  -7.356
  455   2H5*    U  43          2H5*        U  43 -10.042 -45.103  -7.799
  456    H4*    U  43           H4*        U  43  -7.893 -44.546  -8.885
  457    H3*    U  43           H3*        U  43  -8.023 -46.838  -6.953
  458    H2*    U  43           H2*        U  43  -5.751 -46.983  -6.766
  459   2HO*    U  43          2HO*        U  43  -5.061 -46.056  -9.283
  460    H1*    U  43           H1*        U  43  -5.142 -44.481  -8.177
  461    H3     U  43           H3         U  43  -1.722 -44.475  -5.252
  462    H5     U  43           H5         U  43  -5.142 -44.373  -2.787
  463    H6     U  43           H6         U  43  -6.499 -44.661  -4.779
  464    H3T    U  43           H3T        U  43  -7.218 -46.881  -9.653
  465   1H5*    G  44          1H5*        G  44  -8.248  45.238  -3.941
  466   2H5*    G  44          2H5*        G  44  -8.732  43.573  -4.322
  467    H4*    G  44           H4*        G  44  -7.945  44.327  -6.371
  468    H3*    G  44           H3*        G  44  -5.846  42.795  -4.912
  469    H2*    G  44           H2*        G  44  -4.059  43.532  -6.216
  470   2HO*    G  44          2HO*        G  44  -4.257  44.126  -8.311
  471    H1*    G  44           H1*        G  44  -4.802  46.102  -6.737
  472    H8     G  44           H8         G  44  -5.852  45.664  -3.195
  473    H1     G  44           H1         G  44   0.510  46.155  -3.755
  474   1H2     G  44          1H2         G  44   1.099  45.973  -5.888
  475   2H2     G  44          2H2         G  44  -0.066  45.726  -7.169
  476    H5T    G  44           H5T        G  44  -7.367  42.940  -2.895
  477   1H5*    G  45          1H5*        G  45  -4.759  42.108  -8.479
  478   2H5*    G  45          2H5*        G  45  -4.560  40.411  -8.961
  479    H4*    G  45           H4*        G  45  -2.475  41.700  -9.238
  480    H3*    G  45           H3*        G  45  -2.505  39.475  -7.195
  481    H2*    G  45           H2*        G  45  -0.350  40.009  -6.504
  482   2HO*    G  45          2HO*        G  45   0.356  41.620  -8.655
  483    H1*    G  45           H1*        G  45  -0.369  42.762  -7.213
  484    H8     G  45           H8         G  45  -3.166  42.077  -4.822
  485    H1     G  45           H1         G  45   2.528  42.588  -1.929
  486   1H2     G  45          1H2         G  45   4.147  42.516  -3.424
  487   2H2     G  45          2H2         G  45   3.837  42.367  -5.140
  488   1H5*    G  46          1H5*        G  46   0.733  38.970  -9.827
  489   2H5*    G  46          2H5*        G  46   0.999  37.329 -10.450
  490    H4*    G  46           H4*        G  46   3.069  38.198  -9.516
  491    H3*    G  46           H3*        G  46   1.749  35.967  -7.970
  492    H2*    G  46           H2*        G  46   3.380  36.088  -6.296
  493   2HO*    G  46          2HO*        G  46   5.399  36.405  -6.789
  494    H1*    G  46           H1*        G  46   3.835  38.834  -6.361
  495    H8     G  46           H8         G  46   0.133  37.874  -6.355
  496    H1     G  46           H1         G  46   2.782  38.190  -0.534
  497   1H2     G  46          1H2         G  46   4.981  38.446  -0.722
  498   2H2     G  46          2H2         G  46   5.789  38.534  -2.269
  499   1H5*    A  47          1H5*        A  47   5.896  35.023  -8.303
  500   2H5*    A  47          2H5*        A  47   6.100  33.367  -8.908
  501    H4*    A  47           H4*        A  47   7.466  33.752  -6.907
  502    H3*    A  47           H3*        A  47   5.179  31.796  -6.669
  503    H2*    A  47           H2*        A  47   5.620  31.478  -4.393
  504   2HO*    A  47          2HO*        A  47   8.217  32.318  -5.101
  505    H1*    A  47           H1*        A  47   6.504  34.050  -3.779
  506    H8     A  47           H8         A  47   3.255  33.772  -5.823
  507   1H6     A  47          1H6         A  47   0.338  33.822  -0.383
  508   2H6     A  47          2H6         A  47   0.142  33.853  -2.121
  509    H2     A  47           H2         A  47   4.757  33.619   0.423
  510   1H5*    U  48          1H5*        U  48   8.177  30.328  -4.890
  511   2H5*    U  48          2H5*        U  48   8.666  28.630  -5.063
  512    H4*    U  48           H4*        U  48   8.200  29.118  -2.727
  513    H3*    U  48           H3*        U  48   6.270  27.286  -4.137
  514    H2*    U  48           H2*        U  48   4.815  27.263  -2.332
  515   2HO*    U  48          2HO*        U  48   6.748  28.199  -0.504
  516    H1*    U  48           H1*        U  48   5.515  29.758  -1.171
  517    H3     U  48           H3         U  48   1.062  30.271  -1.583
  518    H5     U  48           H5         U  48   2.405  30.053  -5.571
  519    H6     U  48           H6         U  48   4.625  29.552  -4.725
  520   1H5*    A  49          1H5*        A  49   9.317  24.576  -0.156
  521   2H5*    A  49          2H5*        A  49   8.327  23.250  -0.799
  522    H4*    A  49           H4*        A  49   8.207  24.608   1.877
  523    H3*    A  49           H3*        A  49   8.976  22.023   1.035
  524    H2*    A  49           H2*        A  49   6.849  21.098   0.794
  525   2HO*    A  49          2HO*        A  49   6.050  20.349   2.843
  526    H1*    A  49           H1*        A  49   5.652  22.918   2.868
  527    H8     A  49           H8         A  49   5.246  21.986  -0.909
  528   1H6     A  49          1H6         A  49  -0.749  21.419   0.469
  529   2H6     A  49          2H6         A  49   0.452  21.294  -0.795
  530    H2     A  49           H2         A  49   1.419  22.628   4.211
  531   1H5*    U  50          1H5*        U  50   9.264  21.495   6.704
  532   2H5*    U  50          2H5*        U  50   8.009  21.164   5.493
  533    H4*    U  50           H4*        U  50   7.760  22.148   8.238
  534    H3*    U  50           H3*        U  50   6.390  20.298   6.665
  535    H2*    U  50           H2*        U  50   5.070  21.793   5.435
  536   2HO*    U  50          2HO*        U  50   3.746  21.759   7.960
  537    H1*    U  50           H1*        U  50   4.844  23.731   7.720
  538    H3     U  50           H3         U  50   5.989  27.197   4.469
  539    H5     U  50           H5         U  50   2.841  24.701   3.194
  540    H6     U  50           H6         U  50   3.414  23.171   4.990
  541   1H5*    G  51          1H5*        G  51   4.599  18.030   6.599
  542   2H5*    G  51          2H5*        G  51   4.433  19.644   5.882
  543    H4*    G  51           H4*        G  51   1.839  18.597   6.649
  544    H3*    G  51           H3*        G  51   3.615  16.725   5.131
  545    H2*    G  51           H2*        G  51   2.128  16.461   3.356
  546   2HO*    G  51          2HO*        G  51   0.321  16.577   5.306
  547    H1*    G  51           H1*        G  51   0.996  18.967   3.266
  548    H8     G  51           H8         G  51   4.626  19.628   3.718
  549    H1     G  51           H1         G  51   3.285  17.700  -2.229
  550   1H2     G  51          1H2         G  51   1.225  16.912  -2.331
  551   2H2     G  51          2H2         G  51   0.170  16.857  -0.940
  552   1H5*    G  52          1H5*        G  52   1.874  12.299   5.210
  553   2H5*    G  52          2H5*        G  52   3.385  12.494   4.301
  554    H4*    G  52           H4*        G  52   0.587  12.389   3.354
  555    H3*    G  52           H3*        G  52   3.297  11.611   2.316
  556    H2*    G  52           H2*        G  52   2.714  12.031   0.091
  557   2HO*    G  52          2HO*        G  52  -0.030  12.296   0.742
  558    H1*    G  52           H1*        G  52   1.133  14.238   0.428
  559    H8     G  52           H8         G  52   3.768  15.128   2.786
  560    H1     G  52           H1         G  52   6.014  15.174  -3.206
  561   1H2     G  52          1H2         G  52   4.583  14.138  -4.557
  562   2H2     G  52          2H2         G  52   3.089  13.434  -3.987
  563   1H5*    A  53          1H5*        A  53   0.789   8.006   0.840
  564   2H5*    A  53          2H5*        A  53   1.856   6.612   1.106
  565    H4*    A  53           H4*        A  53   1.145   7.043  -1.298
  566    H3*    A  53           H3*        A  53   4.029   6.773  -0.461
  567    H2*    A  53           H2*        A  53   4.778   7.277  -2.621
  568   2HO*    A  53          2HO*        A  53   3.761   6.558  -4.317
  569    H1*    A  53           H1*        A  53   2.844   9.126  -3.327
  570    H8     A  53           H8         A  53   3.802  10.125   0.114
  571   1H6     A  53          1H6         A  53   8.958  12.595  -2.219
  572   2H6     A  53          2H6         A  53   7.938  12.470  -0.805
  573    H2     A  53           H2         A  53   7.043  10.114  -5.436
  574   1H5*    A  54          1H5*        A  54   3.481   4.014  -3.644
  575   2H5*    A  54          2H5*        A  54   4.462   2.541  -3.507
  576    H4*    A  54           H4*        A  54   4.938   3.976  -5.531
  577    H3*    A  54           H3*        A  54   7.126   3.271  -3.569
  578    H2*    A  54           H2*        A  54   8.669   4.544  -4.807
  579   2HO*    A  54          2HO*        A  54   8.435   3.957  -6.867
  580    H1*    A  54           H1*        A  54   6.981   6.605  -5.542
  581    H8     A  54           H8         A  54   6.304   5.879  -1.919
  582   1H6     A  54          1H6         A  54  11.294   9.273  -0.589
  583   2H6     A  54          2H6         A  54   9.880   8.478   0.066
  584    H2     A  54           H2         A  54  11.247   8.559  -5.024
  585   1H5*    G  55          1H5*        G  55   8.766   1.348  -7.188
  586   2H5*    G  55          2H5*        G  55   9.489  -0.193  -6.683
  587    H4*    G  55           H4*        G  55  11.143   1.368  -7.679
  588    H3*    G  55           H3*        G  55  11.483   0.602  -4.769
  589    H2*    G  55           H2*        G  55  13.424   1.936  -4.662
  590   2HO*    G  55          2HO*        G  55  14.139   2.865  -6.853
  591    H1*    G  55           H1*        G  55  12.535   3.996  -6.283
  592    H8     G  55           H8         G  55   9.798   2.946  -3.874
  593    H1     G  55           H1         G  55  14.189   6.774  -1.232
  594   1H2     G  55          1H2         G  55  15.911   7.019  -2.610
  595   2H2     G  55          2H2         G  55  15.980   6.238  -4.172
  596   1H5*    A  56          1H5*        A  56  15.095   0.293  -6.280
  597   2H5*    A  56          2H5*        A  56  15.798  -1.334  -6.191
  598    H4*    A  56           H4*        A  56  17.470   0.138  -5.375
  599    H3*    A  56           H3*        A  56  16.025  -1.269  -3.127
  600    H2*    A  56           H2*        A  56  17.190  -0.032  -1.537
  601   2HO*    A  56          2HO*        A  56  19.183   1.175  -2.421
  602    H1*    A  56           H1*        A  56  17.626   2.300  -3.065
  603    H8     A  56           H8         A  56  14.008   1.069  -2.740
  604   1H6     A  56          1H6         A  56  13.666   4.730   2.223
  605   2H6     A  56          2H6         A  56  12.768   3.703   1.129
  606    H2     A  56           H2         A  56  17.946   4.656   0.852
  607   1H5*    A  57          1H5*        A  57  20.671  -1.613  -2.710
  608   2H5*    A  57          2H5*        A  57  20.893  -3.280  -2.143
  609    H4*    A  57           H4*        A  57  22.214  -1.703  -0.803
  610    H3*    A  57           H3*        A  57  19.932  -3.123   0.576
  611    H2*    A  57           H2*        A  57  20.396  -1.980   2.580
  612   2HO*    A  57          2HO*        A  57  22.658  -0.620   1.878
  613    H1*    A  57           H1*        A  57  21.015   0.473   1.494
  614    H8     A  57           H8         A  57  18.052  -1.416  -0.094
  615   1H6     A  57          1H6         A  57  14.493   1.681   3.885
  616   2H6     A  57          2H6         A  57  14.514   0.586   2.522
  617    H2     A  57           H2         A  57  18.781   2.584   4.885
  618   1H5*    C  58          1H5*        C  58  22.502  -3.513   3.193
  619   2H5*    C  58          2H5*        C  58  22.950  -5.142   3.740
  620    H4*    C  58           H4*        C  58  22.257  -4.082   5.706
  621    H3*    C  58           H3*        C  58  19.883  -5.591   4.576
  622    H2*    C  58           H2*        C  58  18.574  -4.786   6.335
  623   2HO*    C  58          2HO*        C  58  20.937  -4.129   7.779
  624    H1*    C  58           H1*        C  58  19.987  -2.355   6.735
  625   1H4     C  58          1H4         C  58  14.302  -0.634   4.470
  626   2H4     C  58          2H4         C  58  14.671  -1.332   2.908
  627    H5     C  58           H5         C  58  16.724  -2.504   2.435
  628    H6     C  58           H6         C  58  18.843  -3.307   3.373
  629   1H5*    C  59          1H5*        C  59  20.104  -5.923   8.437
  630   2H5*    C  59          2H5*        C  59  19.954  -7.531   9.171
  631    H4*    C  59           H4*        C  59  18.403  -6.058  10.270
  632    H3*    C  59           H3*        C  59  17.046  -7.967   8.347
  633    H2*    C  59           H2*        C  59  14.990  -7.011   8.895
  634   2HO*    C  59          2HO*        C  59  15.935  -7.116  11.317
  635    H1*    C  59           H1*        C  59  15.977  -4.427   9.564
  636   1H4     C  59          1H4         C  59  12.451  -3.554   4.355
  637   2H4     C  59          2H4         C  59  13.572  -4.485   3.385
  638    H5     C  59           H5         C  59  15.525  -5.569   4.298
  639    H6     C  59           H6         C  59  16.791  -6.038   6.346
  640   1H5*    G  60          1H5*        G  60  16.121  -8.202  13.061
  641   2H5*    G  60          2H5*        G  60  15.585  -9.871  13.327
  642    H4*    G  60           H4*        G  60  14.250  -8.254  14.626
  643    H3*    G  60           H3*        G  60  12.859  -9.832  12.458
  644    H2*    G  60           H2*        G  60  10.832  -8.723  12.909
  645   2HO*    G  60          2HO*        G  60  11.433  -7.177  15.029
  646    H1*    G  60           H1*        G  60  11.856  -6.209  13.347
  647    H8     G  60           H8         G  60  13.734  -7.756  10.476
  648    H1     G  60           H1         G  60   7.991  -5.501   8.766
  649   1H2     G  60          1H2         G  60   6.814  -4.974  10.575
  650   2H2     G  60          2H2         G  60   7.439  -5.181  12.196
  651   1H5*    G  61          1H5*        G  61   9.998  -9.379  15.015
  652   2H5*    G  61          2H5*        G  61   9.706 -10.923  15.838
  653    H4*    G  61           H4*        G  61   7.555 -10.159  15.299
  654    H3*    G  61           H3*        G  61   8.496 -12.100  13.180
  655    H2*    G  61           H2*        G  61   6.560 -11.724  11.940
  656   2HO*    G  61          2HO*        G  61   5.344 -10.718  14.315
  657    H1*    G  61           H1*        G  61   6.074  -9.064  12.775
  658    H8     G  61           H8         G  61   9.553  -9.577  11.348
  659    H1     G  61           H1         G  61   5.067  -8.690   6.871
  660   1H2     G  61          1H2         G  61   3.045  -8.746   7.797
  661   2H2     G  61          2H2         G  61   2.806  -9.008   9.510
  662   1H5*    G  62          1H5*        G  62   4.629 -12.551  13.541
  663   2H5*    G  62          2H5*        G  62   4.226 -14.107  14.295
  664    H4*    G  62           H4*        G  62   2.675 -13.952  12.558
  665    H3*    G  62           H3*        G  62   5.053 -15.560  11.628
  666    H2*    G  62           H2*        G  62   4.248 -15.619   9.449
  667   2HO*    G  62          2HO*        G  62   2.243 -16.143   9.123
  668    H1*    G  62           H1*        G  62   2.711 -13.230   9.503
  669    H8     G  62           H8         G  62   6.476 -13.192  10.334
  670    H1     G  62           H1         G  62   5.095 -12.099   4.183
  671   1H2     G  62          1H2         G  62   2.921 -12.375   3.827
  672   2H2     G  62          2H2         G  62   1.812 -12.828   5.102
  673   1H5*    G  63          1H5*        G  63   3.759 -20.261  10.206
  674   2H5*    G  63          2H5*        G  63   4.899 -18.915  10.008
  675    H4*    G  63           H4*        G  63   2.355 -19.287   8.392
  676    H3*    G  63           H3*        G  63   5.179 -20.169   7.850
  677    H2*    G  63           H2*        G  63   5.153 -19.312   5.668
  678   2HO*    G  63          2HO*        G  63   2.751 -20.199   5.598
  679    H1*    G  63           H1*        G  63   3.700 -17.028   6.096
  680    H8     G  63           H8         G  63   5.883 -17.102   9.082
  681    H1     G  63           H1         G  63   9.227 -15.826   3.772
  682   1H2     G  63          1H2         G  63   7.996 -16.218   1.991
  683   2H2     G  63          2H2         G  63   6.352 -16.803   2.094
  684   1H5*    A  64          1H5*        A  64   6.394 -24.022   7.308
  685   2H5*    A  64          2H5*        A  64   7.120 -22.477   6.820
  686    H4*    A  64           H4*        A  64   7.765 -24.672   5.554
  687    H3*    A  64           H3*        A  64   7.281 -21.950   4.434
  688    H2*    A  64           H2*        A  64   7.063 -22.655   2.217
  689   2HO*    A  64          2HO*        A  64   7.752 -24.929   1.708
  690    H1*    A  64           H1*        A  64   5.813 -25.059   2.549
  691    H8     A  64           H8         A  64   4.470 -22.469   5.013
  692   1H6     A  64          1H6         A  64   0.462 -20.891   0.593
  693   2H6     A  64          2H6         A  64   0.916 -20.674   2.268
  694    H2     A  64           H2         A  64   3.423 -23.757  -1.195
  695   1H5*    A  65          1H5*        A  65  10.421 -20.268   1.593
  696   2H5*    A  65          2H5*        A  65   9.180 -19.177   2.239
  697    H4*    A  65           H4*        A  65   9.257 -20.683  -0.288
  698    H3*    A  65           H3*        A  65   7.985 -18.162   0.734
  699    H2*    A  65           H2*        A  65   6.115 -18.368  -0.643
  700   2HO*    A  65          2HO*        A  65   7.539 -20.284  -2.201
  701    H1*    A  65           H1*        A  65   5.833 -21.106  -0.681
  702    H8     A  65           H8         A  65   6.387 -20.681   2.888
  703   1H6     A  65          1H6         A  65   0.709 -18.317   3.421
  704   2H6     A  65          2H6         A  65   2.075 -18.983   4.285
  705    H2     A  65           H2         A  65   1.791 -18.348  -0.943
  706   1H5*    A  66          1H5*        A  66   8.536 -15.769  -4.140
  707   2H5*    A  66          2H5*        A  66   8.259 -14.621  -2.814
  708    H4*    A  66           H4*        A  66   6.509 -15.270  -4.927
  709    H3*    A  66           H3*        A  66   6.367 -13.555  -2.474
  710    H2*    A  66           H2*        A  66   4.023 -13.559  -2.406
  711   2HO*    A  66          2HO*        A  66   2.902 -13.469  -4.184
  712    H1*    A  66           H1*        A  66   3.528 -16.126  -3.149
  713    H8     A  66           H8         A  66   6.651 -15.882  -0.963
  714   1H6     A  66          1H6         A  66   2.871 -16.478   3.878
  715   2H6     A  66          2H6         A  66   4.542 -16.435   3.354
  716    H2     A  66           H2         A  66   0.328 -15.992   0.186
  717   1H5*    C  67          1H5*        C  67   4.222 -11.652  -4.621
  718   2H5*    C  67          2H5*        C  67   4.152  -9.882  -4.726
  719    H4*    C  67           H4*        C  67   2.276 -10.811  -3.415
  720    H3*    C  67           H3*        C  67   4.281  -9.057  -1.990
  721    H2*    C  67           H2*        C  67   3.149  -9.355   0.042
  722   2HO*    C  67          2HO*        C  67   0.939 -10.385  -1.439
  723    H1*    C  67           H1*        C  67   2.372 -11.996  -0.319
  724   1H4     C  67          1H4         C  67   7.497 -12.169   3.469
  725   2H4     C  67          2H4         C  67   8.548 -11.985   2.082
  726    H5     C  67           H5         C  67   7.727 -11.646  -0.158
  727    H6     C  67           H6         C  67   5.727 -11.370  -1.545
  728   1H5*    U  68          1H5*        U  68   0.976  -8.176  -0.418
  729   2H5*    U  68          2H5*        U  68   0.469  -6.479  -0.527
  730    H4*    U  68           H4*        U  68   0.300  -7.112   1.769
  731    H3*    U  68           H3*        U  68   2.779  -5.449   1.243
  732    H2*    U  68           H2*        U  68   3.306  -5.582   3.533
  733   2HO*    U  68          2HO*        U  68   1.252  -6.776   4.692
  734    H1*    U  68           H1*        U  68   2.359  -8.178   3.958
  735    H3     U  68           H3         U  68   6.776  -8.589   4.826
  736    H5     U  68           H5         U  68   6.618  -7.999   0.654
  737    H6     U  68           H6         U  68   4.232  -7.620   0.863
  738   1H5*    U  69          1H5*        U  69   0.835  -4.533   4.387
  739   2H5*    U  69          2H5*        U  69   0.272  -2.886   4.735
  740    H4*    U  69           H4*        U  69   1.240  -3.646   6.750
  741    H3*    U  69           H3*        U  69   3.214  -1.918   5.237
  742    H2*    U  69           H2*        U  69   4.783  -2.270   6.925
  743   2HO*    U  69          2HO*        U  69   4.145  -2.055   8.908
  744    H1*    U  69           H1*        U  69   3.921  -4.852   7.697
  745    H3     U  69           H3         U  69   8.207  -5.734   6.604
  746    H5     U  69           H5         U  69   6.530  -4.404   2.981
  747    H6     U  69           H6         U  69   4.483  -3.913   4.181
  748   1H5*    G  70          1H5*        G  70   2.983  -0.511   9.218
  749   2H5*    G  70          2H5*        G  70   3.464   1.194   9.348
  750    H4*    G  70           H4*        G  70   4.962  -0.421  10.561
  751    H3*    G  70           H3*        G  70   6.144   1.291   8.353
  752    H2*    G  70           H2*        G  70   8.242   0.382   8.883
  753   2HO*    G  70          2HO*        G  70   8.562  -0.737  10.914
  754    H1*    G  70           H1*        G  70   7.277  -2.158   9.680
  755    H8     G  70           H8         G  70   6.247  -0.815   6.220
  756    H1     G  70           H1         G  70  11.732  -4.121   6.316
  757   1H2     G  70          1H2         G  70  12.279  -4.604   8.416
  758   2H2     G  70          2H2         G  70  11.296  -4.112   9.777
  759   1H5*    G  71          1H5*        G  71   7.985   2.587  12.346
  760   2H5*    G  71          2H5*        G  71   8.171   4.349  12.250
  761    H4*    G  71           H4*        G  71  10.253   3.364  13.006
  762    H3*    G  71           H3*        G  71  10.353   4.380  10.151
  763    H2*    G  71           H2*        G  71  12.651   3.801  10.102
  764   2HO*    G  71          2HO*        G  71  12.846   2.970  12.742
  765    H1*    G  71           H1*        G  71  12.399   1.409  11.444
  766    H8     G  71           H8         G  71   9.571   2.117   8.945
  767    H1     G  71           H1         G  71  14.757  -0.566   6.318
  768   1H2     G  71          1H2         G  71  16.374  -0.715   7.825
  769   2H2     G  71          2H2         G  71  16.192  -0.142   9.466
  770   1H5*    U  72          1H5*        U  72  13.571   6.495  12.192
  771   2H5*    U  72          2H5*        U  72  13.543   8.184  11.649
  772    H4*    U  72           H4*        U  72  15.766   7.204  11.346
  773    H3*    U  72           H3*        U  72  14.252   7.815   8.791
  774    H2*    U  72           H2*        U  72  16.124   7.094   7.571
  775   2HO*    U  72          2HO*        U  72  17.468   8.003   9.774
  776    H1*    U  72           H1*        U  72  16.897   5.045   9.298
  777    H3     U  72           H3         U  72  15.855   2.931   5.417
  778    H5     U  72           H5         U  72  12.122   4.080   7.018
  779    H6     U  72           H6         U  72  13.315   5.329   8.723
  780   1H5*    U  73          1H5*        U  73  18.342   9.398   8.636
  781   2H5*    U  73          2H5*        U  73  18.193  11.091   8.125
  782    H4*    U  73           H4*        U  73  19.955  10.021   6.853
  783    H3*    U  73           H3*        U  73  17.444  10.650   5.298
  784    H2*    U  73           H2*        U  73  18.404   9.720   3.349
  785   2HO*    U  73          2HO*        U  73  20.540   9.504   3.042
  786    H1*    U  73           H1*        U  73  19.552   7.531   4.514
  787    H3     U  73           H3         U  73  16.014   5.737   2.370
  788    H5     U  73           H5         U  73  14.277   7.805   5.605
  789    H6     U  73           H6         U  73  16.475   8.685   6.130
  790   1H5*    C  74          1H5*        C  74  20.639  11.581   2.723
  791   2H5*    C  74          2H5*        C  74  20.216  13.055   1.831
  792    H4*    C  74           H4*        C  74  20.680  11.094   0.357
  793    H3*    C  74           H3*        C  74  17.877  12.256   0.275
  794    H2*    C  74           H2*        C  74  17.414  10.747  -1.482
  795   2HO*    C  74          2HO*        C  74  20.118  11.004  -1.924
  796    H1*    C  74           H1*        C  74  18.952   8.631  -0.474
  797   1H4     C  74          1H4         C  74  12.996   7.006   0.998
  798   2H4     C  74          2H4         C  74  12.946   8.216   2.261
  799    H5     C  74           H5         C  74  14.715   9.808   2.635
  800    H6     C  74           H6         C  74  16.949  10.527   1.931
  801   1H5*    U  75          1H5*        U  75  19.601  12.811  -3.285
  802   2H5*    U  75          2H5*        U  75  19.090  14.052  -4.448
  803    H4*    U  75           H4*        U  75  18.467  11.754  -5.150
  804    H3*    U  75           H3*        U  75  16.216  13.697  -4.543
  805    H2*    U  75           H2*        U  75  14.681  12.033  -5.140
  806   2HO*    U  75          2HO*        U  75  16.762  11.234  -6.795
  807    H1*    U  75           H1*        U  75  16.241   9.825  -4.310
  808    H3     U  75           H3         U  75  12.328   9.445  -2.040
  809    H5     U  75           H5         U  75  14.417  12.517  -0.056
  810    H6     U  75           H6         U  75  16.062  12.461  -1.844
  811   1H5*    U  76          1H5*        U  76  15.756  12.484  -8.583
  812   2H5*    U  76          2H5*        U  76  15.271  13.790  -9.681
  813    H4*    U  76           H4*        U  76  13.703  11.902  -9.787
  814    H3*    U  76           H3*        U  76  12.695  14.526  -8.704
  815    H2*    U  76           H2*        U  76  10.647  13.600  -8.126
  816   2HO*    U  76          2HO*        U  76  10.193  11.393  -9.250
  817    H1*    U  76           H1*        U  76  11.477  10.901  -7.794
  818    H3     U  76           H3         U  76   9.439  11.694  -3.835
  819    H5     U  76           H5         U  76  12.906  14.091  -3.705
  820    H6     U  76           H6         U  76  13.319  13.504  -6.018
  821   1H5*    C  77          1H5*        C  77   8.871  15.205 -12.130
  822   2H5*    C  77          2H5*        C  77   8.750  16.253 -10.703
  823    H4*    C  77           H4*        C  77   7.307  13.738 -11.368
  824    H3*    C  77           H3*        C  77   6.671  16.342  -9.989
  825    H2*    C  77           H2*        C  77   5.124  15.315  -8.578
  826   2HO*    C  77          2HO*        C  77   4.190  13.283  -9.075
  827    H1*    C  77           H1*        C  77   6.354  12.844  -8.285
  828   1H4     C  77          1H4         C  77   7.537  16.236  -2.991
  829   2H4     C  77          2H4         C  77   9.058  16.736  -3.694
  830    H5     C  77           H5         C  77   9.693  16.234  -5.963
  831    H6     C  77           H6         C  77   9.005  15.147  -8.050
  832   1H5*    C  78          1H5*        C  78   1.959  17.523 -10.917
  833   2H5*    C  78          2H5*        C  78   2.864  18.070  -9.492
  834    H4*    C  78           H4*        C  78   0.772  15.909  -9.702
  835    H3*    C  78           H3*        C  78   1.044  18.490  -8.232
  836    H2*    C  78           H2*        C  78   0.407  17.639  -6.159
  837   2HO*    C  78          2HO*        C  78  -0.612  15.263  -7.319
  838    H1*    C  78           H1*        C  78   1.408  15.087  -6.295
  839   1H4     C  78          1H4         C  78   5.784  18.480  -3.110
  840   2H4     C  78          2H4         C  78   6.661  18.678  -4.609
  841    H5     C  78           H5         C  78   5.794  17.999  -6.743
  842    H6     C  78           H6         C  78   3.902  16.969  -7.908
  843   1H5*    U  79          1H5*        U  79  -2.545  21.082  -9.064
  844   2H5*    U  79          2H5*        U  79  -1.279  22.076  -8.316
  845    H4*    U  79           H4*        U  79  -3.210  20.183  -7.081
  846    H3*    U  79           H3*        U  79  -1.940  22.815  -6.362
  847    H2*    U  79           H2*        U  79  -1.873  22.304  -4.096
  848   2HO*    U  79          2HO*        U  79  -4.269  21.375  -4.577
  849    H1*    U  79           H1*        U  79  -1.658  19.512  -4.251
  850    H3     U  79           H3         U  79   1.809  21.574  -1.907
  851    H5     U  79           H5         U  79   3.099  21.000  -5.879
  852    H6     U  79           H6         U  79   0.811  20.447  -6.472
  853   1H5*    A  80          1H5*        A  80  -5.037  22.528  -2.678
  854   2H5*    A  80          2H5*        A  80  -5.811  24.021  -3.248
  855    H4*    A  80           H4*        A  80  -4.791  23.955  -0.855
  856    H3*    A  80           H3*        A  80  -5.236  26.095  -2.571
  857    H2*    A  80           H2*        A  80  -3.050  26.420  -3.343
  858   2HO*    A  80          2HO*        A  80  -3.626  27.920  -1.233
  859    H1*    A  80           H1*        A  80  -1.791  25.551  -0.762
  860    H8     A  80           H8         A  80  -1.899  24.650  -4.564
  861   1H6     A  80          1H6         A  80   4.264  24.473  -4.122
  862   2H6     A  80          2H6         A  80   2.894  24.303  -5.198
  863    H2     A  80           H2         A  80   2.613  25.425  -0.054
  864   1H5*    A  81          1H5*        A  81  -7.103  26.235   1.790
  865   2H5*    A  81          2H5*        A  81  -7.826  27.851   1.922
  866    H4*    A  81           H4*        A  81  -7.381  27.287   4.143
  867    H3*    A  81           H3*        A  81  -5.265  29.056   2.993
  868    H2*    A  81           H2*        A  81  -3.726  28.685   4.696
  869   2HO*    A  81          2HO*        A  81  -6.042  28.269   6.211
  870    H1*    A  81           H1*        A  81  -4.319  26.084   5.391
  871    H8     A  81           H8         A  81  -4.257  26.020   1.672
  872   1H6     A  81          1H6         A  81   1.911  25.893   1.991
  873   2H6     A  81          2H6         A  81   0.521  25.688   0.949
  874    H2     A  81           H2         A  81   0.335  26.894   6.078
  875   1H5*    G  82          1H5*        G  82  -5.596  31.725   6.757
  876   2H5*    G  82          2H5*        G  82  -4.712  33.078   6.021
  877    H4*    G  82           H4*        G  82  -3.651  31.295   7.811
  878    H3*    G  82           H3*        G  82  -2.430  33.139   5.788
  879    H2*    G  82           H2*        G  82  -0.357  32.062   5.811
  880   2HO*    G  82          2HO*        G  82  -1.167  31.297   8.384
  881    H1*    G  82           H1*        G  82  -1.160  29.459   6.132
  882    H8     G  82           H8         G  82  -3.623  30.727   3.679
  883    H1     G  82           H1         G  82   2.161  29.969   1.040
  884   1H2     G  82          1H2         G  82   3.686  29.677   2.623
  885   2H2     G  82          2H2         G  82   3.283  29.669   4.326
  886   1H5*    U  83          1H5*        U  83   0.452  33.824   9.131
  887   2H5*    U  83          2H5*        U  83   0.618  35.592   9.177
  888    H4*    U  83           H4*        U  83   2.771  34.350   8.811
  889    H3*    U  83           H3*        U  83   1.778  36.411   6.855
  890    H2*    U  83           H2*        U  83   3.504  35.954   5.342
  891   2HO*    U  83          2HO*        U  83   5.242  34.387   6.324
  892    H1*    U  83           H1*        U  83   3.732  33.230   5.730
  893    H3     U  83           H3         U  83   2.185  33.749   1.471
  894    H5     U  83           H5         U  83  -1.210  34.219   3.928
  895    H6     U  83           H6         U  83   0.261  34.199   5.856
  896   1H5*    C  84          1H5*        C  84   5.512  37.106   7.395
  897   2H5*    C  84          2H5*        C  84   6.160  38.646   7.998
  898    H4*    C  84           H4*        C  84   7.376  38.209   6.023
  899    H3*    C  84           H3*        C  84   5.152  40.189   5.548
  900    H2*    C  84           H2*        C  84   5.559  40.213   3.249
  901   2HO*    C  84          2HO*        C  84   7.629  39.216   2.475
  902    H1*    C  84           H1*        C  84   6.381  37.573   2.921
  903   1H4     C  84          1H4         C  84   0.408  37.673   0.739
  904   2H4     C  84          2H4         C  84  -0.218  37.812   2.367
  905    H5     C  84           H5         C  84   1.189  38.024   4.310
  906    H6     C  84           H6         C  84   3.499  38.158   5.113
  907   1H5*    C  85          1H5*        C  85   8.649  41.053   3.483
  908   2H5*    C  85          2H5*        C  85   9.285  42.675   3.826
  909    H4*    C  85           H4*        C  85   9.449  42.292   1.458
  910    H3*    C  85           H3*        C  85   7.275  44.218   2.270
  911    H2*    C  85           H2*        C  85   6.550  44.429   0.045
  912   2HO*    C  85          2HO*        C  85   8.012  43.324  -1.625
  913    H1*    C  85           H1*        C  85   6.913  41.821  -0.758
  914   1H4     C  85          1H4         C  85   0.748  42.045   0.794
  915   2H4     C  85          2H4         C  85   1.148  42.101   2.495
  916    H5     C  85           H5         C  85   3.402  42.218   3.320
  917    H6     C  85           H6         C  85   5.770  42.316   2.695
  918   1H5*    U  86          1H5*        U  86   8.724  45.273  -1.199
  919   2H5*    U  86          2H5*        U  86   9.148  46.986  -1.384
  920    H4*    U  86           H4*        U  86   7.573  46.176  -3.128
  921    H3*    U  86           H3*        U  86   6.800  48.393  -1.270
  922    H2*    U  86           H2*        U  86   4.572  48.191  -1.713
  923   2HO*    U  86          2HO*        U  86   4.754  47.414  -4.366
  924    H1*    U  86           H1*        U  86   4.812  45.758  -3.373
  925    H3     U  86           H3         U  86   0.634  45.094  -1.836
  926    H5     U  86           H5         U  86   2.982  45.184   1.667
  927    H6     U  86           H6         U  86   4.880  45.813   0.292
  928    H3T    U  86           H3T        U  86   6.583  49.136  -3.709
  929   1HO1  MN6 101          1HO1      MN6 101   2.813 -40.289  -3.087
  930   2HO1  MN6 101          2HO1      MN6 101   2.961 -41.688  -3.781
  931   1HO2  MN6 101          1HO2      MN6 101   0.039 -43.725  -0.569
  932   2HO2  MN6 101          2HO2      MN6 101   0.850 -42.899   0.488
  933   1HO3  MN6 101          1HO3      MN6 101  -0.604 -40.383  -1.533
  934   2HO3  MN6 101          2HO3      MN6 101  -0.046 -40.238  -2.991
  935   1HO4  MN6 101          1HO4      MN6 101   2.975 -43.393  -0.637
  936   2HO4  MN6 101          2HO4      MN6 101   3.581 -42.948  -2.012
  937   1HO5  MN6 101          1HO5      MN6 101   1.169 -43.800  -3.589
  938   2HO5  MN6 101          2HO5      MN6 101  -0.157 -43.822  -2.754
  939   1HO6  MN6 101          1HO6      MN6 101   1.977 -40.882   0.282
  940   2HO6  MN6 101          2HO6      MN6 101   1.325 -39.822  -0.672
  941   1HO1  MN6 102          1HO1      MN6 102   6.780 -32.593  -9.056
  942   2HO1  MN6 102          2HO1      MN6 102   5.954 -31.438  -9.719
  943   1HO2  MN6 102          1HO2      MN6 102   4.637 -32.045  -4.885
  944   2HO2  MN6 102          2HO2      MN6 102   3.466 -31.293  -5.607
  945   1HO3  MN6 102          1HO3      MN6 102   7.124 -30.417  -5.674
  946   2HO3  MN6 102          2HO3      MN6 102   7.875 -31.067  -6.887
  947   1HO4  MN6 102          1HO4      MN6 102   3.371 -32.786  -7.559
  948   2HO4  MN6 102          2HO4      MN6 102   3.991 -32.429  -8.954
  949   1HO5  MN6 102          1HO5      MN6 102   5.709 -33.987  -7.568
  950   2HO5  MN6 102          2HO5      MN6 102   5.324 -33.768  -6.064
  951   1HO6  MN6 102          1HO6      MN6 102   5.841 -29.318  -8.241
  952   2HO6  MN6 102          2HO6      MN6 102   4.366 -29.326  -7.711
  953   1HO1  MN6 103          1HO1      MN6 103  -5.934 -15.280   0.347
  954   2HO1  MN6 103          2HO1      MN6 103  -6.533 -14.189  -0.608
  955   1HO2  MN6 103          1HO2      MN6 103 -10.197 -17.433  -0.485
  956   2HO2  MN6 103          2HO2      MN6 103 -10.935 -16.124  -0.040
  957   1HO3  MN6 103          1HO3      MN6 103  -8.536 -13.787   1.753
  958   2HO3  MN6 103          2HO3      MN6 103  -9.814 -13.711   0.850
  959   1HO4  MN6 103          1HO4      MN6 103  -6.924 -17.615  -0.106
  960   2HO4  MN6 103          2HO4      MN6 103  -7.151 -16.969  -1.516
  961   1HO5  MN6 103          1HO5      MN6 103  -8.607 -17.171   2.265
  962   2HO5  MN6 103          2HO5      MN6 103  -7.890 -15.829   2.644
  963   1HO6  MN6 103          1HO6      MN6 103  -8.936 -15.257  -2.192
  964   2HO6  MN6 103          2HO6      MN6 103  -9.917 -14.424  -1.298
  965   1HO1  MN6 104          1HO1      MN6 104 -12.531  -1.495  -0.243
  966   2HO1  MN6 104          2HO1      MN6 104 -12.056  -1.914  -1.677
  967   1HO2  MN6 104          1HO2      MN6 104  -7.859  -3.428   0.272
  968   2HO2  MN6 104          2HO2      MN6 104  -7.758  -1.903   0.620
  969   1HO3  MN6 104          1HO3      MN6 104 -10.727  -4.789  -0.627
  970   2HO3  MN6 104          2HO3      MN6 104  -9.823  -4.820   0.653
  971   1HO4  MN6 104          1HO4      MN6 104 -10.730  -0.033  -0.068
  972   2HO4  MN6 104          2HO4      MN6 104  -9.274  -0.187  -0.630
  973   1HO5  MN6 104          1HO5      MN6 104 -10.642  -1.534   2.334
  974   2HO5  MN6 104          2HO5      MN6 104 -10.663  -3.101   2.386
  975   1HO6  MN6 104          1HO6      MN6 104  -9.194  -1.963  -2.226
  976   2HO6  MN6 104          2HO6      MN6 104  -8.788  -3.411  -1.784
  977   1HO1  MN6 105          1HO1      MN6 105 -10.850  14.199   6.532
  978   2HO1  MN6 105          2HO1      MN6 105 -10.184  13.347   5.397
  979   1HO2  MN6 105          1HO2      MN6 105 -13.823  10.617   7.665
  980   2HO2  MN6 105          2HO2      MN6 105 -13.487   9.870   6.328
  981   1HO3  MN6 105          1HO3      MN6 105 -13.976  11.514   4.900
  982   2HO3  MN6 105          2HO3      MN6 105 -13.448  12.971   4.665
  983   1HO4  MN6 105          1HO4      MN6 105 -11.758  11.683   8.895
  984   2HO4  MN6 105          2HO4      MN6 105 -10.354  11.532   8.213
  985   1HO5  MN6 105          1HO5      MN6 105 -13.220  14.121   7.048
  986   2HO5  MN6 105          2HO5      MN6 105 -13.657  13.057   8.112
  987   1HO6  MN6 105          1HO6      MN6 105 -11.276  10.041   5.133
  988   2HO6  MN6 105          2HO6      MN6 105 -10.368  11.283   4.833
  989   1HO1  MN6 106          1HO1      MN6 106  -1.027  43.494   2.273
  990   2HO1  MN6 106          2HO1      MN6 106  -1.467  42.084   2.800
  991   1HO2  MN6 106          1HO2      MN6 106  -3.647  42.892  -1.719
  992   2HO2  MN6 106          2HO2      MN6 106  -4.531  41.826  -0.985
  993   1HO3  MN6 106          1HO3      MN6 106  -4.970  43.379   1.118
  994   2HO3  MN6 106          2HO3      MN6 106  -3.916  44.206   1.932
  995   1HO4  MN6 106          1HO4      MN6 106  -1.891  40.355  -0.353
  996   2HO4  MN6 106          2HO4      MN6 106  -1.338  40.512   1.105
  997   1HO5  MN6 106          1HO5      MN6 106  -3.452  40.672   2.200
  998   2HO5  MN6 106          2HO5      MN6 106  -4.424  40.652   0.970
  999   1HO6  MN6 106          1HO6      MN6 106  -1.946  44.753   0.088
 1000   2HO6  MN6 106          2HO6      MN6 106  -1.790  43.893  -1.214
 1001   1HO1  MN6 107          1HO1      MN6 107  -1.078  27.226  -8.011
 1002   2HO1  MN6 107          2HO1      MN6 107   0.023  28.046  -7.254
 1003   1HO2  MN6 107          1HO2      MN6 107  -4.147  30.860  -7.927
 1004   2HO2  MN6 107          2HO2      MN6 107  -3.732  30.972  -6.419
 1005   1HO3  MN6 107          1HO3      MN6 107  -3.089  27.451  -6.827
 1006   2HO3  MN6 107          2HO3      MN6 107  -4.221  28.513  -7.049
 1007   1HO4  MN6 107          1HO4      MN6 107  -0.310  30.685  -9.001
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.174  31.793  -8.305
 1009   1HO5  MN6 107          1HO5      MN6 107  -3.442  29.789  -9.740
 1010   2HO5  MN6 107          2HO5      MN6 107  -1.936  29.838 -10.174
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.454  29.637  -5.231
 1012   2HO6  MN6 107          2HO6      MN6 107  -1.280  28.638  -5.511
 1013   1HO1  MN6 108          1HO1      MN6 108  11.113  19.175   2.160
 1014   2HO1  MN6 108          2HO1      MN6 108  11.354  18.479   0.775
 1015   1HO2  MN6 108          1HO2      MN6 108   9.080  14.600   2.877
 1016   2HO2  MN6 108          2HO2      MN6 108   8.226  15.708   3.586
 1017   1HO3  MN6 108          1HO3      MN6 108   7.874  17.917   1.481
 1018   2HO3  MN6 108          2HO3      MN6 108   9.054  18.544   0.663
 1019   1HO4  MN6 108          1HO4      MN6 108  11.943  16.847   3.778
 1020   2HO4  MN6 108          2HO4      MN6 108  10.701  16.270   4.539
 1021   1HO5  MN6 108          1HO5      MN6 108   9.836  18.524   4.195
 1022   2HO5  MN6 108          2HO5      MN6 108   8.457  17.789   4.066
 1023   1HO6  MN6 108          1HO6      MN6 108  10.368  14.846   0.924
 1024   2HO6  MN6 108          2HO6      MN6 108  10.330  16.093  -0.026
 1025   1HO1  MN6 109          1HO1      MN6 109   7.844   3.628   4.100
 1026   2HO1  MN6 109          2HO1      MN6 109   7.314   3.626   2.624
 1027   1HO2  MN6 109          1HO2      MN6 109  12.118   2.284   2.661
 1028   2HO2  MN6 109          2HO2      MN6 109  11.532   0.912   2.180
 1029   1HO3  MN6 109          1HO3      MN6 109   8.920   1.357   4.798
 1030   2HO3  MN6 109          2HO3      MN6 109  10.131   0.553   4.210
 1031   1HO4  MN6 109          1HO4      MN6 109  10.470   3.896   0.839
 1032   2HO4  MN6 109          2HO4      MN6 109   9.224   4.591   1.487
 1033   1HO5  MN6 109          1HO5      MN6 109  10.698   4.707   3.305
 1034   2HO5  MN6 109          2HO5      MN6 109  11.194   3.618   4.316
 1035   1HO6  MN6 109          1HO6      MN6 109   9.362   0.636   1.070
 1036   2HO6  MN6 109          2HO6      MN6 109   8.732   0.222   2.445
 1037   1HO1  MN6 110          1HO1      MN6 110   8.880 -13.459   5.934
 1038   2HO1  MN6 110          2HO1      MN6 110   8.524 -14.103   7.318
 1039   1HO2  MN6 110          1HO2      MN6 110  11.945 -10.423   7.867
 1040   2HO2  MN6 110          2HO2      MN6 110  11.060 -10.248   9.149
 1041   1HO3  MN6 110          1HO3      MN6 110   9.539  -9.681   7.244
 1042   2HO3  MN6 110          2HO3      MN6 110   8.698 -10.586   6.281
 1043   1HO4  MN6 110          1HO4      MN6 110  11.825 -13.710   7.178
 1044   2HO4  MN6 110          2HO4      MN6 110  10.742 -14.435   8.048
 1045   1HO5  MN6 110          1HO5      MN6 110  10.817 -12.613   5.350
 1046   2HO5  MN6 110          2HO5      MN6 110  11.805 -11.542   5.929
 1047   1HO6  MN6 110          1HO6      MN6 110   8.859 -13.073   9.611
 1048   2HO6  MN6 110          2HO6      MN6 110   9.656 -11.827  10.132
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   8.427 -44.038  -4.913
    2   2H5*    G   1          2H5*        G   1   8.605 -42.272  -4.869
    3    H4*    G   1           H4*        G   1   8.772 -43.089  -7.163
    4    H3*    G   1           H3*        G   1   6.490 -41.323  -6.401
    5    H2*    G   1           H2*        G   1   5.252 -41.712  -8.340
    6   2HO*    G   1          2HO*        G   1   6.820 -43.084  -9.972
    7    H1*    G   1           H1*        G   1   5.826 -44.338  -8.810
    8    H8     G   1           H8         G   1   5.446 -44.202  -5.107
    9    H1     G   1           H1         G   1  -0.194 -43.732  -8.107
   10   1H2     G   1          1H2         G   1   0.128 -43.396 -10.277
   11   2H2     G   1          2H2         G   1   1.723 -43.283 -10.985
   12    H5T    G   1           H5T        G   1   6.798 -42.299  -3.839
   13   1H5*    G   2          1H5*        G   2   6.621 -40.511 -10.009
   14   2H5*    G   2          2H5*        G   2   7.111 -38.856 -10.421
   15    H4*    G   2           H4*        G   2   5.067 -39.318 -11.587
   16    H3*    G   2           H3*        G   2   4.758 -37.475  -9.222
   17    H2*    G   2           H2*        G   2   2.443 -37.476  -9.414
   18   2HO*    G   2          2HO*        G   2   1.396 -37.891 -11.410
   19    H1*    G   2           H1*        G   2   2.112 -40.003 -10.653
   20    H8     G   2           H8         G   2   3.991 -40.201  -7.370
   21    H1     G   2           H1         G   2  -2.370 -40.014  -6.661
   22   1H2     G   2          1H2         G   2  -3.333 -39.524  -8.601
   23   2H2     G   2          2H2         G   2  -2.415 -39.247 -10.063
   24   1H5*    G   3          1H5*        G   3   2.726 -36.358 -12.526
   25   2H5*    G   3          2H5*        G   3   2.983 -34.738 -13.204
   26    H4*    G   3           H4*        G   3   0.628 -35.148 -13.237
   27    H3*    G   3           H3*        G   3   1.518 -33.246 -11.079
   28    H2*    G   3           H2*        G   3  -0.623 -33.142 -10.153
   29   2HO*    G   3          2HO*        G   3  -2.330 -34.295 -11.691
   30    H1*    G   3           H1*        G   3  -1.464 -35.739 -10.686
   31    H8     G   3           H8         G   3   2.059 -35.326  -9.185
   32    H1     G   3           H1         G   3  -2.650 -35.898  -4.884
   33   1H2     G   3          1H2         G   3  -4.619 -35.867  -5.917
   34   2H2     G   3          2H2         G   3  -4.768 -35.699  -7.650
   35   1H5*    A   4          1H5*        A   4  -2.104 -31.958 -12.807
   36   2H5*    A   4          2H5*        A   4  -1.973 -30.288 -13.394
   37    H4*    A   4           H4*        A   4  -4.042 -30.548 -12.155
   38    H3*    A   4           H3*        A   4  -1.911 -28.856 -10.865
   39    H2*    A   4           H2*        A   4  -3.153 -28.615  -8.902
   40   2HO*    A   4          2HO*        A   4  -5.395 -28.861  -8.840
   41    H1*    A   4           H1*        A   4  -4.444 -31.080  -8.881
   42    H8     A   4           H8         A   4  -0.642 -31.023  -9.547
   43   1H6     A   4          1H6         A   4  -0.035 -31.925  -3.467
   44   2H6     A   4          2H6         A   4   0.807 -31.815  -4.996
   45    H2     A   4           H2         A   4  -4.398 -31.286  -4.340
   46   1H5*    U   5          1H5*        U   5  -5.518 -26.744 -10.152
   47   2H5*    U   5          2H5*        U   5  -5.181 -25.001 -10.159
   48    H4*    U   5           H4*        U   5  -5.999 -26.017  -7.957
   49    H3*    U   5           H3*        U   5  -3.550 -24.290  -8.223
   50    H2*    U   5           H2*        U   5  -2.854 -24.719  -6.058
   51   2HO*    U   5          2HO*        U   5  -4.704 -25.648  -4.597
   52    H1*    U   5           H1*        U   5  -4.138 -27.219  -5.655
   53    H3     U   5           H3         U   5   0.112 -28.247  -4.560
   54    H5     U   5           H5         U   5   0.297 -27.482  -8.701
   55    H6     U   5           H6         U   5  -2.017 -26.762  -8.603
   56   1H5*    A   6          1H5*        A   6  -8.353 -22.411  -5.069
   57   2H5*    A   6          2H5*        A   6  -7.064 -21.264  -5.490
   58    H4*    A   6           H4*        A   6  -7.896 -22.319  -2.812
   59    H3*    A   6           H3*        A   6  -7.876 -19.745  -4.038
   60    H2*    A   6           H2*        A   6  -5.659 -19.208  -3.555
   61   2HO*    A   6          2HO*        A   6  -5.995 -19.010  -0.865
   62    H1*    A   6           H1*        A   6  -5.663 -21.005  -1.134
   63    H8     A   6           H8         A   6  -3.674 -20.239  -4.403
   64   1H6     A   6          1H6         A   6   1.323 -20.890  -0.816
   65   2H6     A   6          2H6         A   6   0.755 -20.521  -2.428
   66    H2     A   6           H2         A   6  -2.309 -21.658   1.710
   67   1H5*    U   7          1H5*        U   7 -10.716 -20.254   1.777
   68   2H5*    U   7          2H5*        U   7  -9.491 -19.029   1.389
   69    H4*    U   7           H4*        U   7  -9.233 -20.753   3.430
   70    H3*    U   7           H3*        U   7  -7.396 -19.079   2.021
   71    H2*    U   7           H2*        U   7  -6.125 -20.754   1.039
   72   2HO*    U   7          2HO*        U   7  -4.483 -21.402   2.360
   73    H1*    U   7           H1*        U   7  -6.848 -22.778   3.136
   74    H3     U   7           H3         U   7  -7.934 -25.728  -0.620
   75    H5     U   7           H5         U   7  -4.080 -24.037  -0.874
   76    H6     U   7           H6         U   7  -4.716 -22.489   0.884
   77   1H5*    G   8          1H5*        G   8  -3.662 -20.620   3.907
   78   2H5*    G   8          2H5*        G   8  -3.924 -19.631   5.359
   79    H4*    G   8           H4*        G   8  -1.723 -19.126   4.899
   80    H3*    G   8           H3*        G   8  -3.476 -17.112   3.541
   81    H2*    G   8           H2*        G   8  -1.754 -16.240   2.237
   82   2HO*    G   8          2HO*        G   8  -0.344 -16.653   4.452
   83    H1*    G   8           H1*        G   8  -0.232 -18.512   1.833
   84    H8     G   8           H8         G   8  -3.993 -19.048   1.402
   85    H1     G   8           H1         G   8  -1.040 -16.966  -3.876
   86   1H2     G   8          1H2         G   8   1.055 -16.432  -3.417
   87   2H2     G   8          2H2         G   8   1.734 -16.587  -1.814
   88   1H5*    G   9          1H5*        G   9  -3.808 -13.257   3.533
   89   2H5*    G   9          2H5*        G   9  -3.558 -14.964   3.118
   90    H4*    G   9           H4*        G   9  -1.087 -13.371   3.072
   91    H3*    G   9           H3*        G   9  -3.434 -12.464   1.438
   92    H2*    G   9           H2*        G   9  -2.240 -12.509  -0.576
   93   2HO*    G   9          2HO*        G   9  -0.165 -12.051  -0.694
   94    H1*    G   9           H1*        G   9  -0.691 -14.722  -0.160
   95    H8     G   9           H8         G   9  -3.717 -16.143   1.194
   96    H1     G   9           H1         G   9  -4.510 -14.912  -5.041
   97   1H2     G   9          1H2         G   9  -2.899 -13.561  -5.755
   98   2H2     G   9          2H2         G   9  -1.636 -12.962  -4.702
   99   1H5*    A  10          1H5*        A  10  -0.861  -9.494   0.538
  100   2H5*    A  10          2H5*        A  10  -1.372  -7.846   0.955
  101    H4*    A  10           H4*        A  10  -0.902  -7.958  -1.419
  102    H3*    A  10           H3*        A  10  -3.799  -7.662  -0.650
  103    H2*    A  10           H2*        A  10  -4.507  -7.917  -2.843
  104   2HO*    A  10          2HO*        A  10  -3.040  -7.485  -4.621
  105    H1*    A  10           H1*        A  10  -2.363  -9.478  -3.824
  106    H8     A  10           H8         A  10  -3.933 -11.130  -0.829
  107   1H6     A  10          1H6         A  10  -8.189 -13.424  -4.673
  108   2H6     A  10          2H6         A  10  -7.536 -13.478  -3.052
  109    H2     A  10           H2         A  10  -5.787 -10.369  -6.934
  110   1H5*    A  11          1H5*        A  11  -2.099  -4.750  -3.789
  111   2H5*    A  11          2H5*        A  11  -2.936  -3.192  -3.635
  112    H4*    A  11           H4*        A  11  -2.734  -4.027  -5.991
  113    H3*    A  11           H3*        A  11  -5.419  -3.452  -4.757
  114    H2*    A  11           H2*        A  11  -6.557  -4.251  -6.656
  115   2HO*    A  11          2HO*        A  11  -4.672  -4.851  -8.421
  116    H1*    A  11           H1*        A  11  -4.978  -6.405  -7.222
  117    H8     A  11           H8         A  11  -5.347  -5.959  -3.449
  118   1H6     A  11          1H6         A  11 -10.451  -9.401  -3.941
  119   2H6     A  11          2H6         A  11  -9.328  -8.645  -2.833
  120    H2     A  11           H2         A  11  -9.025  -8.440  -8.092
  121   1H5*    G  12          1H5*        G  12  -5.749  -1.157  -8.360
  122   2H5*    G  12          2H5*        G  12  -6.596   0.361  -8.004
  123    H4*    G  12           H4*        G  12  -7.796  -1.124  -9.623
  124    H3*    G  12           H3*        G  12  -9.131  -0.404  -7.002
  125    H2*    G  12           H2*        G  12 -11.015  -1.665  -7.633
  126   2HO*    G  12          2HO*        G  12 -10.204  -0.930 -10.145
  127    H1*    G  12           H1*        G  12  -9.663  -3.692  -8.974
  128    H8     G  12           H8         G  12  -7.996  -2.958  -5.649
  129    H1     G  12           H1         G  12 -13.184  -6.672  -5.151
  130   1H2     G  12          1H2         G  12 -14.275  -6.714  -7.086
  131   2H2     G  12          2H2         G  12 -13.725  -5.829  -8.490
  132   1H5*    A  13          1H5*        A  13 -11.980  -0.062  -9.322
  133   2H5*    A  13          2H5*        A  13 -12.501   1.595  -9.684
  134    H4*    A  13           H4*        A  13 -14.545   0.670  -9.248
  135    H3*    A  13           H3*        A  13 -13.474   1.514  -6.555
  136    H2*    A  13           H2*        A  13 -15.273   0.483  -5.469
  137   2HO*    A  13          2HO*        A  13 -16.718   0.069  -7.854
  138    H1*    A  13           H1*        A  13 -15.619  -1.669  -7.201
  139    H8     A  13           H8         A  13 -12.070  -0.762  -5.945
  140   1H6     A  13          1H6         A  13 -13.052  -5.065  -1.621
  141   2H6     A  13          2H6         A  13 -11.886  -3.956  -2.307
  142    H2     A  13           H2         A  13 -16.855  -4.563  -3.967
  143   1H5*    A  14          1H5*        A  14 -17.870   2.573  -7.417
  144   2H5*    A  14          2H5*        A  14 -18.148   4.167  -6.688
  145    H4*    A  14           H4*        A  14 -19.944   2.525  -6.168
  146    H3*    A  14           H3*        A  14 -18.311   3.723  -3.932
  147    H2*    A  14           H2*        A  14 -19.405   2.397  -2.333
  148   2HO*    A  14          2HO*        A  14 -21.332   1.095  -3.442
  149    H1*    A  14           H1*        A  14 -19.675   0.086  -3.816
  150    H8     A  14           H8         A  14 -16.289   1.891  -4.131
  151   1H6     A  14          1H6         A  14 -14.432  -1.709   0.524
  152   2H6     A  14          2H6         A  14 -13.939  -0.528  -0.666
  153    H2     A  14           H2         A  14 -18.844  -2.372  -0.058
  154   1H5*    C  15          1H5*        C  15 -21.897   3.939  -2.413
  155   2H5*    C  15          2H5*        C  15 -22.435   5.566  -1.950
  156    H4*    C  15           H4*        C  15 -22.700   4.290   0.006
  157    H3*    C  15           H3*        C  15 -20.075   5.789   0.110
  158    H2*    C  15           H2*        C  15 -19.542   4.757   2.133
  159   2HO*    C  15          2HO*        C  15 -22.183   3.860   2.567
  160    H1*    C  15           H1*        C  15 -20.951   2.339   1.721
  161   1H4     C  15          1H4         C  15 -14.853   0.619   1.340
  162   2H4     C  15          2H4         C  15 -14.616   1.605  -0.086
  163    H5     C  15           H5         C  15 -16.339   2.998  -1.030
  164    H6     C  15           H6         C  15 -18.654   3.768  -0.797
  165   1H5*    C  16          1H5*        C  16 -21.774   5.824   3.695
  166   2H5*    C  16          2H5*        C  16 -21.795   7.381   4.544
  167    H4*    C  16           H4*        C  16 -20.758   5.721   5.966
  168    H3*    C  16           H3*        C  16 -18.853   7.756   4.796
  169    H2*    C  16           H2*        C  16 -17.042   6.672   5.775
  170   2HO*    C  16          2HO*        C  16 -18.376   5.018   7.528
  171    H1*    C  16           H1*        C  16 -18.145   4.057   5.846
  172   1H4     C  16          1H4         C  16 -13.447   3.637   1.606
  173   2H4     C  16          2H4         C  16 -14.221   4.801   0.553
  174    H5     C  16           H5         C  16 -16.288   5.913   1.110
  175    H6     C  16           H6         C  16 -18.033   6.178   2.813
  176   1H5*    G  17          1H5*        G  17 -19.274   7.588   9.648
  177   2H5*    G  17          2H5*        G  17 -18.791   9.224  10.138
  178    H4*    G  17           H4*        G  17 -17.830   7.465  11.596
  179    H3*    G  17           H3*        G  17 -15.958   9.201   9.981
  180    H2*    G  17           H2*        G  17 -14.099   8.022  10.811
  181   2HO*    G  17          2HO*        G  17 -15.165   6.323  12.593
  182    H1*    G  17           H1*        G  17 -15.200   5.497  10.802
  183    H8     G  17           H8         G  17 -16.248   7.336   7.671
  184    H1     G  17           H1         G  17 -10.357   4.863   7.300
  185   1H2     G  17          1H2         G  17  -9.702   4.158   9.299
  186   2H2     G  17          2H2         G  17 -10.711   4.296  10.721
  187   1H5*    G  18          1H5*        G  18 -13.766   8.558  13.040
  188   2H5*    G  18          2H5*        G  18 -13.672  10.025  14.032
  189    H4*    G  18           H4*        G  18 -11.444   9.342  13.895
  190    H3*    G  18           H3*        G  18 -11.966  11.389  11.734
  191    H2*    G  18           H2*        G  18  -9.829  11.073  10.869
  192   2HO*    G  18          2HO*        G  18  -8.497   9.702  12.729
  193    H1*    G  18           H1*        G  18  -9.447   8.391  11.735
  194    H8     G  18           H8         G  18 -12.519   8.872   9.566
  195    H1     G  18           H1         G  18  -7.115   8.176   6.210
  196   1H2     G  18          1H2         G  18  -5.360   8.263   7.565
  197   2H2     G  18          2H2         G  18  -5.521   8.491   9.293
  198   1H5*    G  19          1H5*        G  19  -8.064  11.827  13.017
  199   2H5*    G  19          2H5*        G  19  -7.935  13.423  13.782
  200    H4*    G  19           H4*        G  19  -6.032  13.208  12.373
  201    H3*    G  19           H3*        G  19  -8.174  14.954  11.160
  202    H2*    G  19           H2*        G  19  -6.996  15.132   9.168
  203   2HO*    G  19          2HO*        G  19  -4.533  14.215  10.027
  204    H1*    G  19           H1*        G  19  -5.548  12.694   9.316
  205    H8     G  19           H8         G  19  -9.412  12.870   9.441
  206    H1     G  19           H1         G  19  -6.932  11.789   3.638
  207   1H2     G  19          1H2         G  19  -4.718  11.902   3.725
  208   2H2     G  19          2H2         G  19  -3.853  12.243   5.206
  209   1H5*    G  20          1H5*        G  20  -7.421  19.183   9.875
  210   2H5*    G  20          2H5*        G  20  -7.882  17.471   9.802
  211    H4*    G  20           H4*        G  20  -5.124  18.133   8.902
  212    H3*    G  20           H3*        G  20  -7.557  19.202   7.490
  213    H2*    G  20           H2*        G  20  -6.853  18.364   5.414
  214   2HO*    G  20          2HO*        G  20  -4.491  17.362   5.617
  215    H1*    G  20           H1*        G  20  -5.785  15.978   6.235
  216    H8     G  20           H8         G  20  -8.786  16.105   8.356
  217    H1     G  20           H1         G  20 -10.391  15.319   2.215
  218   1H2     G  20          1H2         G  20  -8.651  15.707   0.914
  219   2H2     G  20          2H2         G  20  -7.089  16.169   1.550
  220   1H5*    A  21          1H5*        A  21  -7.723  23.739   6.836
  221   2H5*    A  21          2H5*        A  21  -8.779  22.377   6.410
  222    H4*    A  21           H4*        A  21  -8.805  24.102   4.665
  223    H3*    A  21           H3*        A  21  -7.764  21.370   4.046
  224    H2*    A  21           H2*        A  21  -6.835  21.964   1.988
  225   2HO*    A  21          2HO*        A  21  -7.994  23.165   0.724
  226    H1*    A  21           H1*        A  21  -5.951  24.491   2.534
  227    H8     A  21           H8         A  21  -5.344  22.231   5.536
  228   1H6     A  21          1H6         A  21  -0.011  20.680   2.843
  229   2H6     A  21          2H6         A  21  -0.977  20.560   4.297
  230    H2     A  21           H2         A  21  -2.383  23.090  -0.106
  231   1H5*    A  22          1H5*        A  22  -9.926  18.721   0.582
  232   2H5*    A  22          2H5*        A  22  -8.689  19.051   1.813
  233    H4*    A  22           H4*        A  22  -8.846  20.572  -0.804
  234    H3*    A  22           H3*        A  22  -7.595  17.899  -0.266
  235    H2*    A  22           H2*        A  22  -5.522  18.515  -1.146
  236   2HO*    A  22          2HO*        A  22  -6.433  19.365  -3.103
  237    H1*    A  22           H1*        A  22  -5.428  21.154  -0.377
  238    H8     A  22           H8         A  22  -6.555  19.943   2.801
  239   1H6     A  22          1H6         A  22  -1.183  17.046   3.694
  240   2H6     A  22          2H6         A  22  -2.656  17.613   4.447
  241    H2     A  22           H2         A  22  -1.439  18.168  -0.652
  242   1H5*    A  23          1H5*        A  23  -7.065  16.137  -5.024
  243   2H5*    A  23          2H5*        A  23  -7.362  14.808  -3.887
  244    H4*    A  23           H4*        A  23  -4.958  15.400  -5.176
  245    H3*    A  23           H3*        A  23  -5.751  13.568  -2.933
  246    H2*    A  23           H2*        A  23  -3.540  13.317  -2.175
  247   2HO*    A  23          2HO*        A  23  -2.243  14.697  -4.180
  248    H1*    A  23           H1*        A  23  -2.657  15.864  -2.492
  249    H8     A  23           H8         A  23  -6.318  15.828  -1.419
  250   1H6     A  23          1H6         A  23  -4.250  15.663   4.393
  251   2H6     A  23          2H6         A  23  -5.665  15.839   3.372
  252    H2     A  23           H2         A  23  -0.714  15.117   1.639
  253   1H5*    C  24          1H5*        C  24  -3.220  11.487  -4.591
  254   2H5*    C  24          2H5*        C  24  -3.293   9.717  -4.712
  255    H4*    C  24           H4*        C  24  -1.785  10.523  -2.899
  256    H3*    C  24           H3*        C  24  -4.202   8.860  -2.161
  257    H2*    C  24           H2*        C  24  -3.629   9.015   0.107
  258   2HO*    C  24          2HO*        C  24  -1.323  10.128   0.367
  259    H1*    C  24           H1*        C  24  -2.581  11.602   0.059
  260   1H4     C  24          1H4         C  24  -8.398  12.056   2.632
  261   2H4     C  24          2H4         C  24  -9.123  12.006   1.040
  262    H5     C  24           H5         C  24  -7.846  11.680  -0.982
  263    H6     C  24           H6         C  24  -5.611  11.290  -1.906
  264   1H5*    U  25          1H5*        U  25  -1.391   7.622   0.010
  265   2H5*    U  25          2H5*        U  25  -1.015   5.888   0.029
  266    H4*    U  25           H4*        U  25  -1.348   6.646   2.300
  267    H3*    U  25           H3*        U  25  -3.589   4.927   1.217
  268    H2*    U  25           H2*        U  25  -4.759   5.172   3.226
  269   2HO*    U  25          2HO*        U  25  -3.504   6.043   5.126
  270    H1*    U  25           H1*        U  25  -3.801   7.737   3.917
  271    H3     U  25           H3         U  25  -8.298   8.271   3.841
  272    H5     U  25           H5         U  25  -7.243   7.825  -0.217
  273    H6     U  25           H6         U  25  -4.978   7.325   0.495
  274   1H5*    U  26          1H5*        U  26  -2.644   4.107   4.788
  275   2H5*    U  26          2H5*        U  26  -1.865   2.569   5.208
  276    H4*    U  26           H4*        U  26  -3.293   2.762   6.990
  277    H3*    U  26           H3*        U  26  -4.911   1.406   4.825
  278    H2*    U  26           H2*        U  26  -6.819   1.500   6.176
  279   2HO*    U  26          2HO*        U  26  -4.958   1.702   8.296
  280    H1*    U  26           H1*        U  26  -6.292   3.931   7.440
  281    H3     U  26           H3         U  26  -9.980   5.151   5.171
  282    H5     U  26           H5         U  26  -7.300   4.041   2.117
  283    H6     U  26           H6         U  26  -5.729   3.356   3.832
  284   1H5*    G  27          1H5*        G  27  -5.659  -0.445   8.456
  285   2H5*    G  27          2H5*        G  27  -6.182  -2.135   8.310
  286    H4*    G  27           H4*        G  27  -7.903  -0.582   9.280
  287    H3*    G  27           H3*        G  27  -8.539  -2.067   6.716
  288    H2*    G  27           H2*        G  27 -10.651  -1.068   6.713
  289   2HO*    G  27          2HO*        G  27 -10.382  -1.369   9.399
  290    H1*    G  27           H1*        G  27  -9.899   1.309   8.075
  291    H8     G  27           H8         G  27  -8.075   0.369   4.815
  292    H1     G  27           H1         G  27 -13.360   3.896   4.030
  293   1H2     G  27          1H2         G  27 -14.418   4.111   5.974
  294   2H2     G  27          2H2         G  27 -13.818   3.390   7.451
  295   1H5*    G  28          1H5*        G  28 -11.330  -3.824  10.122
  296   2H5*    G  28          2H5*        G  28 -11.532  -5.522   9.644
  297    H4*    G  28           H4*        G  28 -13.694  -4.451  10.130
  298    H3*    G  28           H3*        G  28 -13.177  -5.322   7.283
  299    H2*    G  28           H2*        G  28 -15.262  -4.473   6.611
  300   2HO*    G  28          2HO*        G  28 -16.216  -5.445   8.677
  301    H1*    G  28           H1*        G  28 -15.306  -2.216   8.195
  302    H8     G  28           H8         G  28 -11.881  -2.872   6.631
  303    H1     G  28           H1         G  28 -15.926   0.256   2.781
  304   1H2     G  28          1H2         G  28 -17.947   0.329   3.705
  305   2H2     G  28          2H2         G  28 -18.306  -0.417   5.245
  306   1H5*    U  29          1H5*        U  29 -17.079  -7.258   7.975
  307   2H5*    U  29          2H5*        U  29 -16.828  -8.938   7.462
  308    H4*    U  29           H4*        U  29 -18.745  -7.984   6.301
  309    H3*    U  29           H3*        U  29 -16.311  -8.505   4.583
  310    H2*    U  29           H2*        U  29 -17.419  -7.632   2.719
  311   2HO*    U  29          2HO*        U  29 -19.835  -8.100   4.154
  312    H1*    U  29           H1*        U  29 -19.005  -5.735   4.055
  313    H3     U  29           H3         U  29 -16.560  -3.200   1.206
  314    H5     U  29           H5         U  29 -13.755  -4.533   4.061
  315    H6     U  29           H6         U  29 -15.490  -5.937   5.013
  316   1H5*    U  30          1H5*        U  30 -20.066 -10.209   2.894
  317   2H5*    U  30          2H5*        U  30 -19.702 -11.758   2.107
  318    H4*    U  30           H4*        U  30 -21.009 -10.222   0.659
  319    H3*    U  30           H3*        U  30 -18.227 -11.014  -0.227
  320    H2*    U  30           H2*        U  30 -18.484  -9.715  -2.175
  321   2HO*    U  30          2HO*        U  30 -20.501  -8.999  -2.902
  322    H1*    U  30           H1*        U  30 -19.863  -7.608  -1.029
  323    H3     U  30           H3         U  30 -15.900  -5.730  -2.113
  324    H5     U  30           H5         U  30 -14.986  -8.196   1.182
  325    H6     U  30           H6         U  30 -17.252  -9.061   1.077
  326   1H5*    C  31          1H5*        C  31 -20.373 -11.204  -3.530
  327   2H5*    C  31          2H5*        C  31 -20.106 -12.686  -4.471
  328    H4*    C  31           H4*        C  31 -19.625 -10.733  -5.842
  329    H3*    C  31           H3*        C  31 -17.210 -12.369  -5.034
  330    H2*    C  31           H2*        C  31 -15.814 -10.861  -6.120
  331   2HO*    C  31          2HO*        C  31 -16.297 -10.123  -8.032
  332    H1*    C  31           H1*        C  31 -17.465  -8.561  -5.869
  333   1H4     C  31          1H4         C  31 -12.432  -7.269  -2.222
  334   2H4     C  31          2H4         C  31 -12.901  -8.502  -1.074
  335    H5     C  31           H5         C  31 -14.787  -9.965  -1.402
  336    H6     C  31           H6         C  31 -16.620 -10.574  -2.912
  337   1H5*    U  32          1H5*        U  32 -17.502 -11.802  -9.678
  338   2H5*    U  32          2H5*        U  32 -17.005 -13.390 -10.295
  339    H4*    U  32           H4*        U  32 -15.866 -11.588 -11.502
  340    H3*    U  32           H3*        U  32 -14.180 -13.382  -9.760
  341    H2*    U  32           H2*        U  32 -12.255 -12.120 -10.202
  342   2HO*    U  32          2HO*        U  32 -13.590 -10.752 -12.306
  343    H1*    U  32           H1*        U  32 -13.405  -9.607 -10.291
  344    H3     U  32           H3         U  32 -10.935  -9.270  -6.545
  345    H5     U  32           H5         U  32 -13.915 -12.058  -5.504
  346    H6     U  32           H6         U  32 -14.692 -11.983  -7.801
  347   1H5*    U  33          1H5*        U  33 -12.376 -12.472 -13.556
  348   2H5*    U  33          2H5*        U  33 -11.495 -13.858 -14.229
  349    H4*    U  33           H4*        U  33 -10.151 -11.738 -14.065
  350    H3*    U  33           H3*        U  33  -9.256 -14.273 -12.700
  351    H2*    U  33           H2*        U  33  -7.462 -13.188 -11.683
  352   2HO*    U  33          2HO*        U  33  -6.288 -11.859 -12.803
  353    H1*    U  33           H1*        U  33  -8.588 -10.636 -11.412
  354    H3     U  33           H3         U  33  -7.794 -11.690  -7.092
  355    H5     U  33           H5         U  33 -10.833 -14.377  -8.241
  356    H6     U  33           H6         U  33 -10.622 -13.549 -10.509
  357   1H5*    C  34          1H5*        C  34  -4.509 -15.244 -13.930
  358   2H5*    C  34          2H5*        C  34  -5.676 -15.300 -12.593
  359    H4*    C  34           H4*        C  34  -3.811 -12.954 -13.046
  360    H3*    C  34           H3*        C  34  -3.266 -15.546 -11.624
  361    H2*    C  34           H2*        C  34  -2.491 -14.482  -9.703
  362   2HO*    C  34          2HO*        C  34  -1.693 -12.574 -11.542
  363    H1*    C  34           H1*        C  34  -4.045 -12.173  -9.780
  364   1H4     C  34          1H4         C  34  -6.473 -16.085  -5.327
  365   2H4     C  34          2H4         C  34  -7.640 -16.632  -6.510
  366    H5     C  34           H5         C  34  -7.575 -15.981  -8.828
  367    H6     C  34           H6         C  34  -6.365 -14.684 -10.516
  368   1H5*    C  35          1H5*        C  35   2.097 -14.175 -11.955
  369   2H5*    C  35          2H5*        C  35   1.914 -15.934 -11.795
  370    H4*    C  35           H4*        C  35   3.068 -14.175  -9.941
  371    H3*    C  35           H3*        C  35   2.268 -17.070  -9.896
  372    H2*    C  35           H2*        C  35   2.225 -17.168  -7.580
  373   2HO*    C  35          2HO*        C  35   3.623 -14.834  -7.044
  374    H1*    C  35           H1*        C  35   1.675 -14.460  -7.003
  375   1H4     C  35          1H4         C  35  -3.588 -17.711  -5.432
  376   2H4     C  35          2H4         C  35  -4.150 -17.557  -7.080
  377    H5     C  35           H5         C  35  -2.815 -16.629  -8.850
  378    H6     C  35           H6         C  35  -0.648 -15.643  -9.430
  379   1H5*    U  36          1H5*        U  36   5.313 -20.429  -9.763
  380   2H5*    U  36          2H5*        U  36   3.686 -20.809  -9.158
  381    H4*    U  36           H4*        U  36   6.125 -19.898  -7.654
  382    H3*    U  36           H3*        U  36   4.219 -22.192  -7.511
  383    H2*    U  36           H2*        U  36   3.941 -22.098  -5.200
  384   2HO*    U  36          2HO*        U  36   5.512 -21.530  -3.852
  385    H1*    U  36           H1*        U  36   4.138 -19.395  -4.754
  386    H3     U  36           H3         U  36  -0.146 -20.888  -3.901
  387    H5     U  36           H5         U  36  -0.059 -19.800  -7.972
  388    H6     U  36           H6         U  36   2.351 -19.578  -7.792
  389   1H5*    A  37          1H5*        A  37   7.354 -24.029  -4.851
  390   2H5*    A  37          2H5*        A  37   7.236 -25.739  -5.308
  391    H4*    A  37           H4*        A  37   6.495 -24.816  -2.897
  392    H3*    A  37           H3*        A  37   6.153 -27.255  -4.162
  393    H2*    A  37           H2*        A  37   4.006 -26.952  -5.041
  394   2HO*    A  37          2HO*        A  37   2.458 -27.295  -3.072
  395    H1*    A  37           H1*        A  37   3.047 -25.227  -2.794
  396    H8     A  37           H8         A  37   3.862 -24.669  -6.568
  397   1H6     A  37          1H6         A  37  -2.112 -23.184  -7.078
  398   2H6     A  37          2H6         A  37  -0.588 -23.328  -7.926
  399    H2     A  37           H2         A  37  -1.345 -24.387  -2.816
  400   1H5*    A  38          1H5*        A  38   7.776 -28.079   0.734
  401   2H5*    A  38          2H5*        A  38   7.206 -29.753   0.887
  402    H4*    A  38           H4*        A  38   6.993 -28.450   2.995
  403    H3*    A  38           H3*        A  38   4.615 -29.693   1.671
  404    H2*    A  38           H2*        A  38   3.055 -28.574   2.986
  405   2HO*    A  38          2HO*        A  38   5.159 -28.135   4.859
  406    H1*    A  38           H1*        A  38   4.377 -26.193   3.451
  407    H8     A  38           H8         A  38   4.899 -26.485  -0.150
  408   1H6     A  38          1H6         A  38  -1.031 -25.011  -1.059
  409   2H6     A  38          2H6         A  38   0.537 -25.197  -1.812
  410    H2     A  38           H2         A  38  -0.505 -26.004   3.294
  411   1H5*    G  39          1H5*        G  39   2.099 -32.656   4.987
  412   2H5*    G  39          2H5*        G  39   1.951 -32.232   3.270
  413    H4*    G  39           H4*        G  39   0.756 -30.860   5.676
  414    H3*    G  39           H3*        G  39  -0.303 -32.241   3.250
  415    H2*    G  39           H2*        G  39  -1.834 -30.573   2.700
  416   2HO*    G  39          2HO*        G  39  -2.186 -30.477   5.285
  417    H1*    G  39           H1*        G  39  -0.471 -28.331   3.473
  418    H8     G  39           H8         G  39   2.226 -30.256   1.856
  419    H1     G  39           H1         G  39  -1.949 -28.010  -2.445
  420   1H2     G  39          1H2         G  39  -3.797 -27.326  -1.427
  421   2H2     G  39          2H2         G  39  -4.005 -27.422   0.307
  422   1H5*    U  40          1H5*        U  40  -4.149 -32.043   5.096
  423   2H5*    U  40          2H5*        U  40  -4.693 -33.729   5.207
  424    H4*    U  40           H4*        U  40  -6.273 -32.387   3.905
  425    H3*    U  40           H3*        U  40  -4.745 -34.555   2.486
  426    H2*    U  40           H2*        U  40  -5.564 -33.924   0.394
  427   2HO*    U  40          2HO*        U  40  -7.667 -32.711   1.868
  428    H1*    U  40           H1*        U  40  -5.764 -31.182   0.783
  429    H3     U  40           H3         U  40  -2.648 -31.672  -2.491
  430    H5     U  40           H5         U  40  -0.608 -32.622   1.075
  431    H6     U  40           H6         U  40  -2.734 -32.522   2.240
  432   1H5*    C  41          1H5*        C  41  -8.523 -34.931   1.294
  433   2H5*    C  41          2H5*        C  41  -9.321 -36.511   1.418
  434    H4*    C  41           H4*        C  41  -9.532 -35.806  -0.853
  435    H3*    C  41           H3*        C  41  -7.423 -37.929  -0.454
  436    H2*    C  41           H2*        C  41  -6.809 -37.816  -2.703
  437   2HO*    C  41          2HO*        C  41  -8.865 -36.254  -3.664
  438    H1*    C  41           H1*        C  41  -7.336 -35.100  -3.141
  439   1H4     C  41          1H4         C  41  -0.998 -35.475  -2.831
  440   2H4     C  41          2H4         C  41  -1.063 -35.825  -1.119
  441    H5     C  41           H5         C  41  -3.126 -36.100   0.093
  442    H6     C  41           H6         C  41  -5.572 -36.103  -0.074
  443   1H5*    C  42          1H5*        C  42  -9.800 -38.240  -3.617
  444   2H5*    C  42          2H5*        C  42 -10.817 -39.678  -3.832
  445    H4*    C  42           H4*        C  42 -10.050 -39.116  -6.001
  446    H3*    C  42           H3*        C  42  -8.494 -41.410  -4.808
  447    H2*    C  42           H2*        C  42  -7.059 -41.474  -6.670
  448   2HO*    C  42          2HO*        C  42  -8.028 -39.681  -8.373
  449    H1*    C  42           H1*        C  42  -6.829 -38.773  -7.104
  450   1H4     C  42          1H4         C  42  -1.754 -40.161  -3.524
  451   2H4     C  42          2H4         C  42  -2.764 -40.340  -2.107
  452    H5     C  42           H5         C  42  -5.162 -40.175  -2.167
  453    H6     C  42           H6         C  42  -7.118 -39.805  -3.595
  454   1H5*    U  43          1H5*        U  43  -8.619 -41.925  -8.672
  455   2H5*    U  43          2H5*        U  43  -9.103 -43.549  -9.196
  456    H4*    U  43           H4*        U  43  -6.919 -42.864 -10.135
  457    H3*    U  43           H3*        U  43  -7.055 -45.228  -8.288
  458    H2*    U  43           H2*        U  43  -4.791 -45.282  -7.995
  459   2HO*    U  43          2HO*        U  43  -4.356 -44.332 -10.634
  460    H1*    U  43           H1*        U  43  -4.247 -42.706  -9.313
  461    H3     U  43           H3         U  43  -0.902 -42.689  -6.309
  462    H5     U  43           H5         U  43  -4.385 -42.686  -3.930
  463    H6     U  43           H6         U  43  -5.681 -42.995  -5.959
  464    H3T    U  43           H3T        U  43  -6.754 -46.287 -10.213
  465   1H5*    G  44          1H5*        G  44  -7.333  46.853  -6.110
  466   2H5*    G  44          2H5*        G  44  -7.772  45.134  -6.078
  467    H4*    G  44           H4*        G  44  -6.970  45.706  -8.289
  468    H3*    G  44           H3*        G  44  -5.301  43.872  -6.624
  469    H2*    G  44           H2*        G  44  -3.414  43.992  -7.996
  470   2HO*    G  44          2HO*        G  44  -3.597  44.880 -10.169
  471    H1*    G  44           H1*        G  44  -3.496  46.605  -8.752
  472    H8     G  44           H8         G  44  -4.622  46.384  -5.139
  473    H1     G  44           H1         G  44   1.743  46.206  -5.823
  474   1H2     G  44          1H2         G  44   2.271  46.000  -7.968
  475   2H2     G  44          2H2         G  44   1.062  45.904  -9.229
  476    H5T    G  44           H5T        G  44  -6.409  46.119  -4.304
  477   1H5*    G  45          1H5*        G  45  -4.112  42.860 -10.089
  478   2H5*    G  45          2H5*        G  45  -4.460  41.169 -10.499
  479    H4*    G  45           H4*        G  45  -2.103  41.598 -10.844
  480    H3*    G  45           H3*        G  45  -2.755  39.859  -8.462
  481    H2*    G  45           H2*        G  45  -0.519  39.797  -7.831
  482   2HO*    G  45          2HO*        G  45   0.933  40.670  -9.825
  483    H1*    G  45           H1*        G  45   0.294  42.266  -8.981
  484    H8     G  45           H8         G  45  -2.554  42.604  -6.496
  485    H1     G  45           H1         G  45   3.250  42.451  -3.787
  486   1H2     G  45          1H2         G  45   4.771  41.873  -5.287
  487   2H2     G  45          2H2         G  45   4.364  41.536  -6.955
  488   1H5*    G  46          1H5*        G  46   0.210  38.227 -11.009
  489   2H5*    G  46          2H5*        G  46   0.074  36.491 -11.354
  490    H4*    G  46           H4*        G  46   2.352  37.047 -10.678
  491    H3*    G  46           H3*        G  46   0.741  35.367  -8.753
  492    H2*    G  46           H2*        G  46   2.512  35.355  -7.216
  493   2HO*    G  46          2HO*        G  46   4.460  36.553  -8.743
  494    H1*    G  46           H1*        G  46   3.462  37.926  -7.676
  495    H8     G  46           H8         G  46  -0.352  37.658  -7.370
  496    H1     G  46           H1         G  46   2.721  38.349  -1.797
  497   1H2     G  46          1H2         G  46   4.920  38.188  -2.125
  498   2H2     G  46          2H2         G  46   5.613  37.911  -3.705
  499   1H5*    A  47          1H5*        A  47   4.547  33.832  -9.455
  500   2H5*    A  47          2H5*        A  47   4.647  32.092  -9.793
  501    H4*    A  47           H4*        A  47   6.299  32.754  -8.110
  502    H3*    A  47           H3*        A  47   4.050  30.959  -7.196
  503    H2*    A  47           H2*        A  47   4.860  31.000  -4.992
  504   2HO*    A  47          2HO*        A  47   7.295  32.103  -5.977
  505    H1*    A  47           H1*        A  47   5.739  33.621  -4.933
  506    H8     A  47           H8         A  47   2.306  33.064  -6.570
  507   1H6     A  47          1H6         A  47  -0.052  34.041  -0.949
  508   2H6     A  47          2H6         A  47  -0.419  33.801  -2.642
  509    H2     A  47           H2         A  47   4.423  33.875  -0.558
  510   1H5*    U  48          1H5*        U  48   7.338  28.909  -5.467
  511   2H5*    U  48          2H5*        U  48   6.821  27.220  -5.285
  512    H4*    U  48           H4*        U  48   7.059  28.806  -3.183
  513    H3*    U  48           H3*        U  48   4.932  26.738  -3.706
  514    H2*    U  48           H2*        U  48   3.646  27.456  -1.919
  515   2HO*    U  48          2HO*        U  48   4.998  28.937  -0.326
  516    H1*    U  48           H1*        U  48   4.543  30.147  -1.784
  517    H3     U  48           H3         U  48  -0.023  30.224  -1.923
  518    H5     U  48           H5         U  48   1.222  29.703  -5.919
  519    H6     U  48           H6         U  48   3.472  29.333  -5.098
  520   1H5*    A  49          1H5*        A  49   8.612  24.245  -1.470
  521   2H5*    A  49          2H5*        A  49   7.847  22.678  -1.146
  522    H4*    A  49           H4*        A  49   8.649  24.835   0.721
  523    H3*    A  49           H3*        A  49   9.283  22.176   0.530
  524    H2*    A  49           H2*        A  49   7.316  21.133   1.178
  525   2HO*    A  49          2HO*        A  49   8.859  21.193   3.091
  526    H1*    A  49           H1*        A  49   6.250  23.191   2.989
  527    H8     A  49           H8         A  49   5.650  21.941  -0.655
  528   1H6     A  49          1H6         A  49  -0.186  21.135   1.221
  529   2H6     A  49          2H6         A  49   0.915  20.972  -0.124
  530    H2     A  49           H2         A  49   2.183  22.750   4.671
  531   1H5*    U  50          1H5*        U  50   7.981  23.470   6.015
  532   2H5*    U  50          2H5*        U  50   8.633  22.125   5.057
  533    H4*    U  50           H4*        U  50   5.778  22.693   5.844
  534    H3*    U  50           H3*        U  50   7.639  20.873   6.843
  535    H2*    U  50           H2*        U  50   7.711  19.410   5.029
  536   2HO*    U  50          2HO*        U  50   6.556  18.311   6.766
  537    H1*    U  50           H1*        U  50   4.827  19.886   4.329
  538    H3     U  50           H3         U  50   8.827  18.337   1.249
  539    H5     U  50           H5         U  50   5.022  19.319  -0.268
  540    H6     U  50           H6         U  50   4.395  20.030   1.946
  541   1H5*    G  51          1H5*        G  51   3.550  18.447   7.250
  542   2H5*    G  51          2H5*        G  51   4.169  17.699   5.764
  543    H4*    G  51           H4*        G  51   1.370  18.459   6.511
  544    H3*    G  51           H3*        G  51   2.764  16.057   5.414
  545    H2*    G  51           H2*        G  51   1.160  15.593   3.793
  546   2HO*    G  51          2HO*        G  51  -0.494  16.145   5.686
  547    H1*    G  51           H1*        G  51   0.311  18.124   3.139
  548    H8     G  51           H8         G  51   4.108  17.974   3.523
  549    H1     G  51           H1         G  51   2.035  16.245  -2.281
  550   1H2     G  51          1H2         G  51  -0.164  16.094  -2.303
  551   2H2     G  51          2H2         G  51  -1.144  16.409  -0.888
  552   1H5*    G  52          1H5*        G  52   1.000  12.029   5.768
  553   2H5*    G  52          2H5*        G  52   2.319  12.724   4.802
  554    H4*    G  52           H4*        G  52  -0.464  11.942   3.925
  555    H3*    G  52           H3*        G  52   2.328  11.096   3.203
  556    H2*    G  52           H2*        G  52   1.828  10.989   0.909
  557   2HO*    G  52          2HO*        G  52  -0.918  11.088   1.671
  558    H1*    G  52           H1*        G  52   0.256  13.199   0.694
  559    H8     G  52           H8         G  52   2.823  14.330   3.128
  560    H1     G  52           H1         G  52   5.236  13.814  -2.780
  561   1H2     G  52          1H2         G  52   3.803  12.727  -4.089
  562   2H2     G  52          2H2         G  52   2.265  12.133  -3.510
  563   1H5*    A  53          1H5*        A  53   0.176   8.051   1.482
  564   2H5*    A  53          2H5*        A  53   0.803   6.432   1.846
  565    H4*    A  53           H4*        A  53   0.793   6.970  -0.590
  566    H3*    A  53           H3*        A  53   3.397   6.365   0.807
  567    H2*    A  53           H2*        A  53   4.619   6.830  -1.121
  568   2HO*    A  53          2HO*        A  53   2.569   6.920  -2.960
  569    H1*    A  53           H1*        A  53   2.887   8.731  -2.270
  570    H8     A  53           H8         A  53   3.718   9.681   1.283
  571   1H6     A  53          1H6         A  53   8.891  12.232  -0.918
  572   2H6     A  53          2H6         A  53   7.858  12.050   0.482
  573    H2     A  53           H2         A  53   6.997   9.866  -4.241
  574   1H5*    A  54          1H5*        A  54   3.022   4.090  -2.921
  575   2H5*    A  54          2H5*        A  54   3.608   2.431  -2.689
  576    H4*    A  54           H4*        A  54   4.611   3.535  -4.671
  577    H3*    A  54           H3*        A  54   6.438   2.742  -2.394
  578    H2*    A  54           H2*        A  54   8.287   3.583  -3.587
  579   2HO*    A  54          2HO*        A  54   6.616   3.713  -5.896
  580    H1*    A  54           H1*        A  54   7.045   5.796  -4.680
  581    H8     A  54           H8         A  54   6.125   5.206  -1.006
  582   1H6     A  54          1H6         A  54  11.062   8.662   0.360
  583   2H6     A  54          2H6         A  54   9.654   7.853   1.004
  584    H2     A  54           H2         A  54  11.104   7.881  -4.064
  585   1H5*    G  55          1H5*        G  55   8.084   0.548  -5.921
  586   2H5*    G  55          2H5*        G  55   8.803  -0.956  -5.315
  587    H4*    G  55           H4*        G  55  10.405   0.571  -6.512
  588    H3*    G  55           H3*        G  55  10.917  -0.206  -3.631
  589    H2*    G  55           H2*        G  55  12.899   1.069  -3.654
  590   2HO*    G  55          2HO*        G  55  12.738   1.379  -6.472
  591    H1*    G  55           H1*        G  55  11.977   3.133  -5.268
  592    H8     G  55           H8         G  55   9.506   2.121  -2.535
  593    H1     G  55           H1         G  55  14.067   6.150  -0.563
  594   1H2     G  55          1H2         G  55  15.593   6.407  -2.159
  595   2H2     G  55          2H2         G  55  15.483   5.589  -3.701
  596   1H5*    A  56          1H5*        A  56  14.274  -0.881  -5.613
  597   2H5*    A  56          2H5*        A  56  15.044  -2.469  -5.439
  598    H4*    A  56           H4*        A  56  16.693  -0.782  -4.970
  599    H3*    A  56           H3*        A  56  15.693  -2.246  -2.526
  600    H2*    A  56           H2*        A  56  16.984  -0.891  -1.133
  601   2HO*    A  56          2HO*        A  56  18.580   0.391  -2.931
  602    H1*    A  56           H1*        A  56  16.972   1.444  -2.711
  603    H8     A  56           H8         A  56  13.556  -0.106  -1.920
  604   1H6     A  56          1H6         A  56  13.499   3.614   3.011
  605   2H6     A  56          2H6         A  56  12.566   2.491   2.046
  606    H2     A  56           H2         A  56  17.567   3.886   1.120
  607   1H5*    A  57          1H5*        A  57  20.080  -2.444  -2.374
  608   2H5*    A  57          2H5*        A  57  20.530  -4.118  -1.994
  609    H4*    A  57           H4*        A  57  21.667  -2.638  -0.461
  610    H3*    A  57           H3*        A  57  19.402  -4.219   0.771
  611    H2*    A  57           H2*        A  57  19.790  -3.184   2.843
  612   2HO*    A  57          2HO*        A  57  22.321  -3.280   2.051
  613    H1*    A  57           H1*        A  57  20.457  -0.662   1.894
  614    H8     A  57           H8         A  57  17.420  -2.453   0.316
  615   1H6     A  57          1H6         A  57  14.049   0.502   4.559
  616   2H6     A  57          2H6         A  57  14.002  -0.530   3.149
  617    H2     A  57           H2         A  57  18.386   1.331   5.416
  618   1H5*    C  58          1H5*        C  58  22.541  -4.879   3.518
  619   2H5*    C  58          2H5*        C  58  22.586  -6.606   3.925
  620    H4*    C  58           H4*        C  58  22.346  -5.300   5.955
  621    H3*    C  58           H3*        C  58  19.822  -6.782   5.162
  622    H2*    C  58           H2*        C  58  18.786  -5.936   7.085
  623   2HO*    C  58          2HO*        C  58  20.816  -4.818   8.456
  624    H1*    C  58           H1*        C  58  20.224  -3.497   7.196
  625   1H4     C  58          1H4         C  58  14.316  -1.834   5.526
  626   2H4     C  58          2H4         C  58  14.492  -2.622   3.974
  627    H5     C  58           H5         C  58  16.461  -3.854   3.333
  628    H6     C  58           H6         C  58  18.676  -4.625   4.052
  629   1H5*    C  59          1H5*        C  59  20.480  -7.194   8.870
  630   2H5*    C  59          2H5*        C  59  20.314  -8.769   9.672
  631    H4*    C  59           H4*        C  59  18.891  -7.197  10.807
  632    H3*    C  59           H3*        C  59  17.369  -9.133   9.047
  633    H2*    C  59           H2*        C  59  15.373  -8.072   9.605
  634   2HO*    C  59          2HO*        C  59  15.402  -6.625  11.567
  635    H1*    C  59           H1*        C  59  16.458  -5.495  10.126
  636   1H4     C  59          1H4         C  59  12.842  -4.755   4.958
  637   2H4     C  59          2H4         C  59  13.899  -5.784   4.015
  638    H5     C  59           H5         C  59  15.825  -6.905   4.945
  639    H6     C  59           H6         C  59  17.119  -7.316   6.985
  640   1H5*    G  60          1H5*        G  60  16.503  -9.323  13.838
  641   2H5*    G  60          2H5*        G  60  15.900 -10.976  14.060
  642    H4*    G  60           H4*        G  60  14.599  -9.275  15.330
  643    H3*    G  60           H3*        G  60  13.216 -10.914  13.206
  644    H2*    G  60           H2*        G  60  11.203  -9.757  13.565
  645   2HO*    G  60          2HO*        G  60  11.675  -8.158  15.637
  646    H1*    G  60           H1*        G  60  12.254  -7.245  14.004
  647    H8     G  60           H8         G  60  14.094  -8.876  11.142
  648    H1     G  60           H1         G  60   8.461  -6.385   9.412
  649   1H2     G  60          1H2         G  60   7.299  -5.804  11.217
  650   2H2     G  60          2H2         G  60   7.910  -6.036  12.840
  651   1H5*    G  61          1H5*        G  61  10.333 -10.652  15.578
  652   2H5*    G  61          2H5*        G  61  10.135 -12.148  16.514
  653    H4*    G  61           H4*        G  61   7.949 -11.749  15.907
  654    H3*    G  61           H3*        G  61   9.160 -13.424  13.705
  655    H2*    G  61           H2*        G  61   7.255 -13.168  12.389
  656   2HO*    G  61          2HO*        G  61   5.342 -12.173  13.844
  657    H1*    G  61           H1*        G  61   6.408 -10.657  13.374
  658    H8     G  61           H8         G  61   9.995 -10.809  12.080
  659    H1     G  61           H1         G  61   5.643  -9.654   7.534
  660   1H2     G  61          1H2         G  61   3.595  -9.876   8.364
  661   2H2     G  61          2H2         G  61   3.301 -10.318  10.030
  662   1H5*    G  62          1H5*        G  62   5.345 -14.290  13.923
  663   2H5*    G  62          2H5*        G  62   5.051 -15.948  14.485
  664    H4*    G  62           H4*        G  62   3.571 -15.685  12.682
  665    H3*    G  62           H3*        G  62   6.081 -17.094  11.774
  666    H2*    G  62           H2*        G  62   5.388 -17.026   9.559
  667   2HO*    G  62          2HO*        G  62   3.185 -17.877  10.498
  668    H1*    G  62           H1*        G  62   3.708 -14.735   9.724
  669    H8     G  62           H8         G  62   7.439 -14.546  10.686
  670    H1     G  62           H1         G  62   6.173 -13.117   4.575
  671   1H2     G  62          1H2         G  62   4.030 -13.483   4.135
  672   2H2     G  62          2H2         G  62   2.911 -14.077   5.343
  673   1H5*    G  63          1H5*        G  63   5.221 -21.298   9.984
  674   2H5*    G  63          2H5*        G  63   6.638 -20.540   9.229
  675    H4*    G  63           H4*        G  63   3.725 -20.261   8.542
  676    H3*    G  63           H3*        G  63   6.229 -21.031   7.112
  677    H2*    G  63           H2*        G  63   5.817 -19.718   5.220
  678   2HO*    G  63          2HO*        G  63   3.176 -20.113   5.973
  679    H1*    G  63           H1*        G  63   4.732 -17.510   6.359
  680    H8     G  63           H8         G  63   7.219 -18.271   8.944
  681    H1     G  63           H1         G  63  10.097 -16.444   3.529
  682   1H2     G  63          1H2         G  63   8.649 -16.438   1.862
  683   2H2     G  63          2H2         G  63   6.973 -16.891   2.073
  684   1H5*    A  64          1H5*        A  64   6.957 -24.939   6.259
  685   2H5*    A  64          2H5*        A  64   7.762 -23.377   6.007
  686    H4*    A  64           H4*        A  64   8.251 -25.327   4.358
  687    H3*    A  64           H3*        A  64   7.763 -22.455   3.697
  688    H2*    A  64           H2*        A  64   7.468 -22.826   1.403
  689   2HO*    A  64          2HO*        A  64   8.349 -25.500   1.523
  690    H1*    A  64           H1*        A  64   6.133 -25.198   1.449
  691    H8     A  64           H8         A  64   5.005 -22.991   4.346
  692   1H6     A  64          1H6         A  64   0.874 -20.590   0.444
  693   2H6     A  64          2H6         A  64   1.410 -20.664   2.107
  694    H2     A  64           H2         A  64   3.635 -23.224  -1.929
  695   1H5*    A  65          1H5*        A  65  10.736 -19.961   1.085
  696   2H5*    A  65          2H5*        A  65   9.204 -20.028   1.982
  697    H4*    A  65           H4*        A  65   9.654 -20.911  -0.891
  698    H3*    A  65           H3*        A  65   8.534 -18.404   0.307
  699    H2*    A  65           H2*        A  65   6.595 -18.440  -0.990
  700   2HO*    A  65          2HO*        A  65   6.463 -19.616  -2.943
  701    H1*    A  65           H1*        A  65   6.171 -21.148  -1.187
  702    H8     A  65           H8         A  65   6.946 -20.940   2.374
  703   1H6     A  65          1H6         A  65   1.411 -18.399   3.357
  704   2H6     A  65          2H6         A  65   2.798 -19.156   4.106
  705    H2     A  65           H2         A  65   2.234 -18.254  -1.060
  706   1H5*    A  66          1H5*        A  66   8.838 -15.877  -4.474
  707   2H5*    A  66          2H5*        A  66   8.777 -14.727  -3.124
  708    H4*    A  66           H4*        A  66   6.795 -15.186  -5.055
  709    H3*    A  66           H3*        A  66   6.975 -13.590  -2.526
  710    H2*    A  66           H2*        A  66   4.653 -13.469  -2.239
  711   2HO*    A  66          2HO*        A  66   3.514 -14.502  -4.350
  712    H1*    A  66           H1*        A  66   3.935 -15.960  -3.069
  713    H8     A  66           H8         A  66   7.236 -15.970  -1.130
  714   1H6     A  66          1H6         A  66   3.797 -16.767   3.938
  715   2H6     A  66          2H6         A  66   5.427 -16.752   3.295
  716    H2     A  66           H2         A  66   1.016 -15.942   0.482
  717   1H5*    C  67          1H5*        C  67   4.415 -11.666  -4.183
  718   2H5*    C  67          2H5*        C  67   4.372  -9.899  -4.020
  719    H4*    C  67           H4*        C  67   2.603 -11.100  -2.711
  720    H3*    C  67           H3*        C  67   4.618  -9.359  -1.279
  721    H2*    C  67           H2*        C  67   3.625  -9.885   0.778
  722   2HO*    C  67          2HO*        C  67   1.364 -10.311  -0.818
  723    H1*    C  67           H1*        C  67   2.883 -12.513   0.185
  724   1H4     C  67          1H4         C  67   8.043 -12.923   3.900
  725   2H4     C  67          2H4         C  67   9.075 -12.490   2.556
  726    H5     C  67           H5         C  67   8.227 -11.907   0.374
  727    H6     C  67           H6         C  67   6.206 -11.569  -0.970
  728   1H5*    U  68          1H5*        U  68   1.332  -8.791   0.453
  729   2H5*    U  68          2H5*        U  68   0.678  -7.142   0.442
  730    H4*    U  68           H4*        U  68   0.556  -7.868   2.694
  731    H3*    U  68           H3*        U  68   2.954  -6.074   2.258
  732    H2*    U  68           H2*        U  68   3.557  -6.346   4.507
  733   2HO*    U  68          2HO*        U  68   1.809  -7.440   5.906
  734    H1*    U  68           H1*        U  68   2.594  -8.970   4.832
  735    H3     U  68           H3         U  68   6.968  -9.505   5.785
  736    H5     U  68           H5         U  68   6.951  -8.587   1.670
  737    H6     U  68           H6         U  68   4.560  -8.198   1.833
  738   1H5*    U  69          1H5*        U  69   1.181  -5.322   5.449
  739   2H5*    U  69          2H5*        U  69   0.537  -3.726   5.878
  740    H4*    U  69           H4*        U  69   1.717  -4.395   7.793
  741    H3*    U  69           H3*        U  69   3.522  -2.642   6.105
  742    H2*    U  69           H2*        U  69   5.219  -2.936   7.678
  743   2HO*    U  69          2HO*        U  69   4.748  -3.623   9.843
  744    H1*    U  69           H1*        U  69   4.453  -5.521   8.550
  745    H3     U  69           H3         U  69   8.681  -6.375   7.238
  746    H5     U  69           H5         U  69   6.777  -5.172   3.680
  747    H6     U  69           H6         U  69   4.799  -4.659   4.983
  748   1H5*    G  70          1H5*        G  70   3.563  -1.462  10.052
  749   2H5*    G  70          2H5*        G  70   3.976   0.241  10.337
  750    H4*    G  70           H4*        G  70   5.607  -1.349  11.335
  751    H3*    G  70           H3*        G  70   6.622   0.482   9.140
  752    H2*    G  70           H2*        G  70   8.744  -0.448   9.432
  753   2HO*    G  70          2HO*        G  70   7.845  -1.122  12.046
  754    H1*    G  70           H1*        G  70   7.848  -2.993  10.351
  755    H8     G  70           H8         G  70   6.785  -1.677   6.878
  756    H1     G  70           H1         G  70  12.162  -5.153   6.974
  757   1H2     G  70          1H2         G  70  12.733  -5.593   9.077
  758   2H2     G  70          2H2         G  70  11.790  -5.034  10.439
  759   1H5*    G  71          1H5*        G  71   8.707   1.554  13.247
  760   2H5*    G  71          2H5*        G  71   8.722   3.328  13.198
  761    H4*    G  71           H4*        G  71  10.884   2.687  13.928
  762    H3*    G  71           H3*        G  71  10.879   3.420  10.994
  763    H2*    G  71           H2*        G  71  13.180   2.905  10.854
  764   2HO*    G  71          2HO*        G  71  14.509   3.078  12.506
  765    H1*    G  71           H1*        G  71  13.147   0.633  12.368
  766    H8     G  71           H8         G  71  10.039   1.129  10.169
  767    H1     G  71           H1         G  71  14.926  -1.733   7.189
  768   1H2     G  71          1H2         G  71  16.705  -1.764   8.514
  769   2H2     G  71          2H2         G  71  16.699  -1.062  10.115
  770   1H5*    U  72          1H5*        U  72  14.261   5.752  12.874
  771   2H5*    U  72          2H5*        U  72  14.186   7.345  12.097
  772    H4*    U  72           H4*        U  72  16.440   6.252  11.985
  773    H3*    U  72           H3*        U  72  14.983   6.937   9.421
  774    H2*    U  72           H2*        U  72  16.780   6.077   8.182
  775   2HO*    U  72          2HO*        U  72  18.783   6.283   8.818
  776    H1*    U  72           H1*        U  72  17.455   3.987   9.891
  777    H3     U  72           H3         U  72  16.135   1.993   6.028
  778    H5     U  72           H5         U  72  12.546   3.287   7.823
  779    H6     U  72           H6         U  72  13.876   4.443   9.490
  780   1H5*    U  73          1H5*        U  73  18.850   8.506   9.053
  781   2H5*    U  73          2H5*        U  73  18.814  10.212   8.565
  782    H4*    U  73           H4*        U  73  20.328   9.075   7.098
  783    H3*    U  73           H3*        U  73  17.673   9.670   5.764
  784    H2*    U  73           H2*        U  73  18.528   8.716   3.766
  785   2HO*    U  73          2HO*        U  73  21.087   8.714   5.024
  786    H1*    U  73           H1*        U  73  19.766   6.568   4.936
  787    H3     U  73           H3         U  73  16.169   4.697   2.934
  788    H5     U  73           H5         U  73  14.555   6.677   6.289
  789    H6     U  73           H6         U  73  16.746   7.641   6.686
  790   1H5*    C  74          1H5*        C  74  20.405  10.550   3.283
  791   2H5*    C  74          2H5*        C  74  20.368  12.100   2.420
  792    H4*    C  74           H4*        C  74  20.477  10.362   0.779
  793    H3*    C  74           H3*        C  74  17.662  11.483   0.984
  794    H2*    C  74           H2*        C  74  17.094  10.074  -0.846
  795   2HO*    C  74          2HO*        C  74  19.168   8.810  -1.651
  796    H1*    C  74           H1*        C  74  18.569   7.891   0.000
  797   1H4     C  74          1H4         C  74  12.704   6.568   2.056
  798   2H4     C  74          2H4         C  74  12.877   7.705   3.376
  799    H5     C  74           H5         C  74  14.797   9.144   3.638
  800    H6     C  74           H6         C  74  16.968   9.790   2.699
  801   1H5*    U  75          1H5*        U  75  19.195  12.299  -2.746
  802   2H5*    U  75          2H5*        U  75  18.522  13.566  -3.791
  803    H4*    U  75           H4*        U  75  18.013  11.246  -4.569
  804    H3*    U  75           H3*        U  75  15.722  13.069  -3.802
  805    H2*    U  75           H2*        U  75  14.206  11.362  -4.312
  806   2HO*    U  75          2HO*        U  75  16.070   9.712  -5.590
  807    H1*    U  75           H1*        U  75  15.853   9.189  -3.615
  808    H3     U  75           H3         U  75  12.185   8.664  -1.023
  809    H5     U  75           H5         U  75  14.200  11.939   0.694
  810    H6     U  75           H6         U  75  15.739  11.888  -1.180
  811   1H5*    U  76          1H5*        U  76  15.354  12.072  -7.990
  812   2H5*    U  76          2H5*        U  76  14.934  13.427  -9.057
  813    H4*    U  76           H4*        U  76  13.409  11.573  -9.441
  814    H3*    U  76           H3*        U  76  12.256  14.032  -8.152
  815    H2*    U  76           H2*        U  76  10.213  13.005  -7.733
  816   2HO*    U  76          2HO*        U  76   9.337  12.025  -9.360
  817    H1*    U  76           H1*        U  76  11.077  10.345  -7.475
  818    H3     U  76           H3         U  76   9.082  11.135  -3.490
  819    H5     U  76           H5         U  76  12.665  13.347  -3.315
  820    H6     U  76           H6         U  76  13.036  12.809  -5.651
  821   1H5*    C  77          1H5*        C  77   8.170  14.965 -11.443
  822   2H5*    C  77          2H5*        C  77   8.385  15.494  -9.761
  823    H4*    C  77           H4*        C  77   6.843  13.111 -10.808
  824    H3*    C  77           H3*        C  77   6.141  15.622  -9.309
  825    H2*    C  77           H2*        C  77   4.689  14.498  -7.873
  826   2HO*    C  77          2HO*        C  77   4.143  12.168  -8.583
  827    H1*    C  77           H1*        C  77   5.976  12.040  -7.732
  828   1H4     C  77          1H4         C  77   7.290  15.176  -2.313
  829   2H4     C  77          2H4         C  77   8.737  15.811  -3.062
  830    H5     C  77           H5         C  77   9.276  15.479  -5.384
  831    H6     C  77           H6         C  77   8.544  14.475  -7.496
  832   1H5*    C  78          1H5*        C  78   1.957  13.740  -9.827
  833   2H5*    C  78          2H5*        C  78   1.440  14.919 -11.048
  834    H4*    C  78           H4*        C  78  -0.355  14.799  -9.524
  835    H3*    C  78           H3*        C  78   1.361  17.225  -9.072
  836    H2*    C  78           H2*        C  78   0.239  17.798  -7.096
  837   2HO*    C  78          2HO*        C  78  -1.871  17.323  -8.281
  838    H1*    C  78           H1*        C  78  -0.261  15.277  -6.101
  839   1H4     C  78          1H4         C  78   5.071  17.051  -3.091
  840   2H4     C  78          2H4         C  78   5.991  16.873  -4.565
  841    H5     C  78           H5         C  78   5.007  16.305  -6.676
  842    H6     C  78           H6         C  78   2.922  15.778  -7.849
  843   1H5*    U  79          1H5*        U  79  -2.033  20.944  -8.271
  844   2H5*    U  79          2H5*        U  79  -0.426  20.467  -7.686
  845    H4*    U  79           H4*        U  79  -2.939  19.515  -6.307
  846    H3*    U  79           H3*        U  79  -1.646  22.223  -6.058
  847    H2*    U  79           H2*        U  79  -1.606  22.105  -3.735
  848   2HO*    U  79          2HO*        U  79  -3.502  19.995  -3.724
  849    H1*    U  79           H1*        U  79  -1.413  19.318  -3.429
  850    H3     U  79           H3         U  79   2.103  21.423  -1.315
  851    H5     U  79           H5         U  79   3.305  20.798  -5.308
  852    H6     U  79           H6         U  79   1.020  20.165  -5.824
  853   1H5*    A  80          1H5*        A  80  -6.145  24.475  -3.772
  854   2H5*    A  80          2H5*        A  80  -4.774  25.526  -4.184
  855    H4*    A  80           H4*        A  80  -5.521  24.280  -1.575
  856    H3*    A  80           H3*        A  80  -5.394  26.898  -2.397
  857    H2*    A  80           H2*        A  80  -3.092  27.149  -2.699
  858   2HO*    A  80          2HO*        A  80  -2.360  27.229  -0.138
  859    H1*    A  80           H1*        A  80  -2.262  25.305  -0.517
  860    H8     A  80           H8         A  80  -2.279  24.846  -4.375
  861   1H6     A  80          1H6         A  80   3.875  25.129  -3.912
  862   2H6     A  80          2H6         A  80   2.525  24.876  -4.994
  863    H2     A  80           H2         A  80   2.144  25.878   0.168
  864   1H5*    A  81          1H5*        A  81  -7.644  26.498   2.274
  865   2H5*    A  81          2H5*        A  81  -7.874  28.256   2.388
  866    H4*    A  81           H4*        A  81  -7.630  27.266   4.611
  867    H3*    A  81           H3*        A  81  -5.609  29.215   3.615
  868    H2*    A  81           H2*        A  81  -3.993  28.736   5.212
  869   2HO*    A  81          2HO*        A  81  -5.023  27.326   7.121
  870    H1*    A  81           H1*        A  81  -4.492  26.071   5.727
  871    H8     A  81           H8         A  81  -4.528  26.160   2.036
  872   1H6     A  81          1H6         A  81   1.638  26.454   2.133
  873   2H6     A  81          2H6         A  81   0.225  26.188   1.137
  874    H2     A  81           H2         A  81   0.153  27.232   6.306
  875   1H5*    G  82          1H5*        G  82  -5.100  33.006   6.136
  876   2H5*    G  82          2H5*        G  82  -4.105  32.807   4.679
  877    H4*    G  82           H4*        G  82  -3.433  32.297   7.551
  878    H3*    G  82           H3*        G  82  -2.239  33.781   5.273
  879    H2*    G  82           H2*        G  82  -0.088  32.921   5.456
  880   2HO*    G  82          2HO*        G  82  -0.484  33.262   7.986
  881    H1*    G  82           H1*        G  82  -0.554  30.379   6.305
  882    H8     G  82           H8         G  82  -3.289  30.941   3.837
  883    H1     G  82           H1         G  82   2.378  30.074   0.989
  884   1H2     G  82          1H2         G  82   4.011  30.190   2.489
  885   2H2     G  82          2H2         G  82   3.706  30.483   4.187
  886   1H5*    U  83          1H5*        U  83   1.020  34.555   8.361
  887   2H5*    U  83          2H5*        U  83   0.981  36.330   8.324
  888    H4*    U  83           H4*        U  83   3.248  35.321   7.924
  889    H3*    U  83           H3*        U  83   1.955  37.212   5.988
  890    H2*    U  83           H2*        U  83   3.551  36.852   4.323
  891   2HO*    U  83          2HO*        U  83   5.290  35.561   6.157
  892    H1*    U  83           H1*        U  83   4.111  34.189   4.744
  893    H3     U  83           H3         U  83   2.041  34.158   0.713
  894    H5     U  83           H5         U  83  -1.079  34.804   3.474
  895    H6     U  83           H6         U  83   0.595  35.011   5.218
  896   1H5*    C  84          1H5*        C  84   5.687  37.781   6.048
  897   2H5*    C  84          2H5*        C  84   6.480  39.346   6.318
  898    H4*    C  84           H4*        C  84   7.365  38.440   4.286
  899    H3*    C  84           H3*        C  84   5.386  40.679   3.860
  900    H2*    C  84           H2*        C  84   5.500  40.417   1.546
  901   2HO*    C  84          2HO*        C  84   7.558  38.730   1.172
  902    H1*    C  84           H1*        C  84   5.989  37.656   1.463
  903   1H4     C  84          1H4         C  84  -0.060  38.253  -0.378
  904   2H4     C  84          2H4         C  84  -0.548  38.720   1.237
  905    H5     C  84           H5         C  84   1.009  39.011   3.054
  906    H6     C  84           H6         C  84   3.372  38.942   3.707
  907   1H5*    C  85          1H5*        C  85   9.160  40.898   1.770
  908   2H5*    C  85          2H5*        C  85   9.948  42.486   1.868
  909    H4*    C  85           H4*        C  85  10.186  41.640  -0.380
  910    H3*    C  85           H3*        C  85   8.285  43.953  -0.048
  911    H2*    C  85           H2*        C  85   7.655  43.862  -2.314
  912   2HO*    C  85          2HO*        C  85   9.301  41.920  -3.263
  913    H1*    C  85           H1*        C  85   7.554  41.148  -2.611
  914   1H4     C  85          1H4         C  85   1.578  42.667  -1.016
  915   2H4     C  85          2H4         C  85   2.056  42.903   0.648
  916    H5     C  85           H5         C  85   4.332  42.759   1.403
  917    H6     C  85           H6         C  85   6.651  42.342   0.732
  918   1H5*    U  86          1H5*        U  86   9.762  44.446  -3.501
  919   2H5*    U  86          2H5*        U  86  10.471  46.038  -3.837
  920    H4*    U  86           H4*        U  86   8.768  45.524  -5.497
  921    H3*    U  86           H3*        U  86   8.150  47.725  -3.548
  922    H2*    U  86           H2*        U  86   5.938  47.781  -4.122
  923   2HO*    U  86          2HO*        U  86   5.547  47.092  -6.538
  924    H1*    U  86           H1*        U  86   5.930  45.297  -5.677
  925    H3     U  86           H3         U  86   1.788  45.084  -3.937
  926    H5     U  86           H5         U  86   4.293  45.050  -0.544
  927    H6     U  86           H6         U  86   6.178  45.439  -2.021
  928    H3T    U  86           H3T        U  86   9.647  47.941  -5.319
  929   1HO1  MN6 101          1HO1      MN6 101   0.952 -42.396  -4.154
  930   2HO1  MN6 101          2HO1      MN6 101   2.482 -42.113  -4.336
  931   1HO2  MN6 101          1HO2      MN6 101   1.220 -38.780  -0.754
  932   2HO2  MN6 101          2HO2      MN6 101   2.654 -39.364  -0.503
  933   1HO3  MN6 101          1HO3      MN6 101   3.088 -41.912  -0.822
  934   2HO3  MN6 101          2HO3      MN6 101   3.091 -42.658  -2.201
  935   1HO4  MN6 101          1HO4      MN6 101   1.346 -38.212  -2.849
  936   2HO4  MN6 101          2HO4      MN6 101   1.578 -38.941  -4.217
  937   1HO5  MN6 101          1HO5      MN6 101   3.952 -39.513  -2.208
  938   2HO5  MN6 101          2HO5      MN6 101   3.686 -39.773  -3.732
  939   1HO6  MN6 101          1HO6      MN6 101  -0.267 -41.167  -1.028
  940   2HO6  MN6 101          2HO6      MN6 101  -0.098 -42.275  -2.124
  941   1HO1  MN6 102          1HO1      MN6 102   6.622 -28.280  -7.932
  942   2HO1  MN6 102          2HO1      MN6 102   6.657 -27.364  -9.203
  943   1HO2  MN6 102          1HO2      MN6 102   4.744 -31.880 -10.400
  944   2HO2  MN6 102          2HO2      MN6 102   5.087 -31.130 -11.734
  945   1HO3  MN6 102          1HO3      MN6 102   3.227 -28.501 -10.611
  946   2HO3  MN6 102          2HO3      MN6 102   2.955 -29.245  -9.259
  947   1HO4  MN6 102          1HO4      MN6 102   6.883 -31.409  -9.312
  948   2HO4  MN6 102          2HO4      MN6 102   7.602 -30.076  -8.906
  949   1HO5  MN6 102          1HO5      MN6 102   4.100 -31.089  -8.246
  950   2HO5  MN6 102          2HO5      MN6 102   4.275 -29.710  -7.521
  951   1HO6  MN6 102          1HO6      MN6 102   6.715 -28.616 -11.648
  952   2HO6  MN6 102          2HO6      MN6 102   5.257 -28.883 -12.158
  953   1HO1  MN6 103          1HO1      MN6 103 -10.337 -15.255  -1.164
  954   2HO1  MN6 103          2HO1      MN6 103 -10.136 -13.703  -1.250
  955   1HO2  MN6 103          1HO2      MN6 103  -7.017 -13.681   2.299
  956   2HO2  MN6 103          2HO2      MN6 103  -6.345 -15.001   1.787
  957   1HO3  MN6 103          1HO3      MN6 103  -9.267 -12.334   1.157
  958   2HO3  MN6 103          2HO3      MN6 103  -7.745 -12.208   0.801
  959   1HO4  MN6 103          1HO4      MN6 103  -8.510 -17.049   0.729
  960   2HO4  MN6 103          2HO4      MN6 103  -7.074 -16.643   0.253
  961   1HO5  MN6 103          1HO5      MN6 103  -6.963 -14.587  -1.659
  962   2HO5  MN6 103          2HO5      MN6 103  -6.030 -14.331  -0.427
  963   1HO6  MN6 103          1HO6      MN6 103 -10.762 -14.855   1.075
  964   2HO6  MN6 103          2HO6      MN6 103  -9.874 -15.554   2.162
  965   1HO1  MN6 104          1HO1      MN6 104  -7.849  -1.686   1.926
  966   2HO1  MN6 104          2HO1      MN6 104  -7.398  -2.983   1.169
  967   1HO2  MN6 104          1HO2      MN6 104 -12.267  -2.506  -0.141
  968   2HO2  MN6 104          2HO2      MN6 104 -11.883  -4.019   0.003
  969   1HO3  MN6 104          1HO3      MN6 104 -10.141  -1.683   3.040
  970   2HO3  MN6 104          2HO3      MN6 104 -11.092  -2.925   2.929
  971   1HO4  MN6 104          1HO4      MN6 104  -8.547  -3.110  -1.267
  972   2HO4  MN6 104          2HO4      MN6 104  -9.844  -2.357  -1.723
  973   1HO5  MN6 104          1HO5      MN6 104  -8.885  -4.630   1.979
  974   2HO5  MN6 104          2HO5      MN6 104  -8.938  -5.011   0.460
  975   1HO6  MN6 104          1HO6      MN6 104 -10.567  -0.544  -0.311
  976   2HO6  MN6 104          2HO6      MN6 104 -11.081  -0.570   1.170
  977   1HO1  MN6 105          1HO1      MN6 105 -12.214  14.034   6.146
  978   2HO1  MN6 105          2HO1      MN6 105 -11.516  13.776   7.526
  979   1HO2  MN6 105          1HO2      MN6 105 -12.950   9.140   6.206
  980   2HO2  MN6 105          2HO2      MN6 105 -13.449   9.385   7.670
  981   1HO3  MN6 105          1HO3      MN6 105 -10.286  10.557   6.456
  982   2HO3  MN6 105          2HO3      MN6 105 -11.207  10.015   5.310
  983   1HO4  MN6 105          1HO4      MN6 105 -14.106  13.000   8.033
  984   2HO4  MN6 105          2HO4      MN6 105 -14.658  12.851   6.573
  985   1HO5  MN6 105          1HO5      MN6 105 -12.970  11.065   4.262
  986   2HO5  MN6 105          2HO5      MN6 105 -12.708  12.603   4.411
  987   1HO6  MN6 105          1HO6      MN6 105 -11.259  12.020   8.727
  988   2HO6  MN6 105          2HO6      MN6 105 -12.425  11.050   9.122
  989   1HO1  MN6 106          1HO1      MN6 106  -3.278  44.021  -3.178
  990   2HO1  MN6 106          2HO1      MN6 106  -4.031  44.214  -1.818
  991   1HO2  MN6 106          1HO2      MN6 106  -0.587  42.126   0.673
  992   2HO2  MN6 106          2HO2      MN6 106  -0.114  41.273  -0.555
  993   1HO3  MN6 106          1HO3      MN6 106  -2.708  41.174   0.355
  994   2HO3  MN6 106          2HO3      MN6 106  -3.936  42.027  -0.117
  995   1HO4  MN6 106          1HO4      MN6 106  -1.197  44.741  -2.751
  996   2HO4  MN6 106          2HO4      MN6 106  -0.756  45.033  -1.275
  997   1HO5  MN6 106          1HO5      MN6 106  -3.461  44.102   0.281
  998   2HO5  MN6 106          2HO5      MN6 106  -2.186  43.677   1.087
  999   1HO6  MN6 106          1HO6      MN6 106  -0.703  41.186  -2.621
 1000   2HO6  MN6 106          2HO6      MN6 106  -2.240  40.880  -2.680
 1001   1HO1  MN6 107          1HO1      MN6 107  -5.928  29.017  -7.599
 1002   2HO1  MN6 107          2HO1      MN6 107  -4.723  28.152  -8.108
 1003   1HO2  MN6 107          1HO2      MN6 107  -1.803  31.841  -7.204
 1004   2HO2  MN6 107          2HO2      MN6 107  -2.712  32.773  -8.077
 1005   1HO3  MN6 107          1HO3      MN6 107  -5.096  29.746  -5.747
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.908  30.655  -5.276
 1007   1HO4  MN6 107          1HO4      MN6 107  -3.497  31.718  -9.934
 1008   2HO4  MN6 107          2HO4      MN6 107  -2.608  30.428  -9.892
 1009   1HO5  MN6 107          1HO5      MN6 107  -6.182  31.655  -7.405
 1010   2HO5  MN6 107          2HO5      MN6 107  -5.233  32.756  -7.994
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.744  28.945  -6.419
 1012   2HO6  MN6 107          2HO6      MN6 107  -2.450  28.623  -7.924
 1013   1HO1  MN6 108          1HO1      MN6 108  10.468  15.117   4.925
 1014   2HO1  MN6 108          2HO1      MN6 108   8.945  15.006   5.279
 1015   1HO2  MN6 108          1HO2      MN6 108   7.873  14.951   0.669
 1016   2HO2  MN6 108          2HO2      MN6 108   8.607  16.316   0.438
 1017   1HO3  MN6 108          1HO3      MN6 108   7.905  13.662   3.950
 1018   2HO3  MN6 108          2HO3      MN6 108   7.535  13.593   2.428
 1019   1HO4  MN6 108          1HO4      MN6 108  11.137  16.759   2.087
 1020   2HO4  MN6 108          2HO4      MN6 108  10.461  17.515   3.283
 1021   1HO5  MN6 108          1HO5      MN6 108  11.586  14.744   2.773
 1022   2HO5  MN6 108          2HO5      MN6 108  10.874  14.061   1.554
 1023   1HO6  MN6 108          1HO6      MN6 108   6.779  16.063   2.555
 1024   2HO6  MN6 108          2HO6      MN6 108   7.211  16.230   4.053
 1025   1HO1  MN6 109          1HO1      MN6 109   9.520   0.209   6.156
 1026   2HO1  MN6 109          2HO1      MN6 109   8.043   0.528   5.740
 1027   1HO2  MN6 109          1HO2      MN6 109   9.959   2.823   1.830
 1028   2HO2  MN6 109          2HO2      MN6 109   9.841   3.902   2.961
 1029   1HO3  MN6 109          1HO3      MN6 109  10.131   2.315   6.390
 1030   2HO3  MN6 109          2HO3      MN6 109  10.950   3.243   5.429
 1031   1HO4  MN6 109          1HO4      MN6 109   8.182   1.216   2.062
 1032   2HO4  MN6 109          2HO4      MN6 109   8.273  -0.098   2.911
 1033   1HO5  MN6 109          1HO5      MN6 109   7.425   2.883   3.413
 1034   2HO5  MN6 109          2HO5      MN6 109   7.926   3.435   4.792
 1035   1HO6  MN6 109          1HO6      MN6 109  11.967   1.379   3.575
 1036   2HO6  MN6 109          2HO6      MN6 109  11.641   0.777   4.985
 1037   1HO1  MN6 110          1HO1      MN6 110  10.216 -14.564  10.692
 1038   2HO1  MN6 110          2HO1      MN6 110   9.312 -13.284  10.759
 1039   1HO2  MN6 110          1HO2      MN6 110  12.601 -12.647   6.942
 1040   2HO2  MN6 110          2HO2      MN6 110  13.189 -11.817   8.134
 1041   1HO3  MN6 110          1HO3      MN6 110  10.944 -15.120   7.686
 1042   2HO3  MN6 110          2HO3      MN6 110   9.618 -14.334   7.403
 1043   1HO4  MN6 110          1HO4      MN6 110  11.409 -12.213  11.230
 1044   2HO4  MN6 110          2HO4      MN6 110  11.578 -10.961  10.301
 1045   1HO5  MN6 110          1HO5      MN6 110  11.975 -15.223   9.586
 1046   2HO5  MN6 110          2HO5      MN6 110  12.994 -14.145  10.092
 1047   1HO6  MN6 110          1HO6      MN6 110  10.025 -11.021   7.810
 1048   2HO6  MN6 110          2HO6      MN6 110   9.046 -12.244   7.761
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  10.776 -43.933  -4.926
    2   2H5*    G   1          2H5*        G   1  10.654 -42.177  -5.159
    3    H4*    G   1           H4*        G   1  10.924 -43.320  -7.303
    4    H3*    G   1           H3*        G   1   8.382 -41.847  -6.739
    5    H2*    G   1           H2*        G   1   7.253 -42.697  -8.598
    6   2HO*    G   1          2HO*        G   1   9.617 -43.751  -9.737
    7    H1*    G   1           H1*        G   1   8.276 -45.237  -8.691
    8    H8     G   1           H8         G   1   7.771 -44.825  -5.064
    9    H1     G   1           H1         G   1   2.175 -45.288  -8.146
   10   1H2     G   1          1H2         G   1   2.493 -45.068 -10.332
   11   2H2     G   1          2H2         G   1   4.075 -44.803 -11.030
   12    H5T    G   1           H5T        G   1   8.947 -42.417  -3.967
   13   1H5*    G   2          1H5*        G   2   8.627 -41.083 -10.379
   14   2H5*    G   2          2H5*        G   2   8.776 -39.389 -10.888
   15    H4*    G   2           H4*        G   2   6.870 -40.415 -11.993
   16    H3*    G   2           H3*        G   2   6.233 -38.338  -9.898
   17    H2*    G   2           H2*        G   2   3.955 -38.747 -10.087
   18   2HO*    G   2          2HO*        G   2   4.540 -39.696 -12.706
   19    H1*    G   2           H1*        G   2   4.087 -41.438 -10.989
   20    H8     G   2           H8         G   2   5.852 -41.121  -7.700
   21    H1     G   2           H1         G   2  -0.521 -41.399  -7.100
   22   1H2     G   2          1H2         G   2  -1.478 -41.118  -9.078
   23   2H2     G   2          2H2         G   2  -0.553 -40.873 -10.543
   24   1H5*    G   3          1H5*        G   3   3.950 -37.494 -13.252
   25   2H5*    G   3          2H5*        G   3   4.086 -35.818 -13.825
   26    H4*    G   3           H4*        G   3   1.746 -36.384 -13.625
   27    H3*    G   3           H3*        G   3   2.810 -34.453 -11.573
   28    H2*    G   3           H2*        G   3   0.821 -34.473 -10.373
   29   2HO*    G   3          2HO*        G   3  -1.148 -35.347 -11.524
   30    H1*    G   3           H1*        G   3  -0.071 -37.063 -11.025
   31    H8     G   3           H8         G   3   3.477 -36.662  -9.587
   32    H1     G   3           H1         G   3  -1.108 -37.549  -5.204
   33   1H2     G   3          1H2         G   3  -3.100 -37.500  -6.180
   34   2H2     G   3          2H2         G   3  -3.302 -37.248  -7.897
   35   1H5*    A   4          1H5*        A   4  -0.867 -33.518 -13.088
   36   2H5*    A   4          2H5*        A   4  -1.069 -31.918 -13.830
   37    H4*    A   4           H4*        A   4  -3.017 -32.338 -12.509
   38    H3*    A   4           H3*        A   4  -1.104 -30.359 -11.286
   39    H2*    A   4           H2*        A   4  -2.326 -30.251  -9.307
   40   2HO*    A   4          2HO*        A   4  -4.561 -31.365 -10.677
   41    H1*    A   4           H1*        A   4  -3.381 -32.849  -9.288
   42    H8     A   4           H8         A   4   0.416 -32.374  -9.799
   43   1H6     A   4          1H6         A   4   0.863 -33.171  -3.691
   44   2H6     A   4          2H6         A   4   1.751 -32.977  -5.184
   45    H2     A   4           H2         A   4  -3.502 -33.033  -4.750
   46   1H5*    U   5          1H5*        U   5  -4.871 -29.091 -10.652
   47   2H5*    U   5          2H5*        U   5  -5.183 -27.359 -10.882
   48    H4*    U   5           H4*        U   5  -5.798 -28.091  -8.616
   49    H3*    U   5           H3*        U   5  -3.537 -26.127  -8.929
   50    H2*    U   5           H2*        U   5  -3.001 -26.223  -6.671
   51   2HO*    U   5          2HO*        U   5  -5.641 -27.188  -6.194
   52    H1*    U   5           H1*        U   5  -3.894 -28.837  -6.104
   53    H3     U   5           H3         U   5   0.404 -29.271  -4.871
   54    H5     U   5           H5         U   5   0.658 -28.441  -8.994
   55    H6     U   5           H6         U   5  -1.746 -28.119  -9.011
   56   1H5*    A   6          1H5*        A   6  -8.111 -23.386  -6.699
   57   2H5*    A   6          2H5*        A   6  -6.781 -22.222  -6.531
   58    H4*    A   6           H4*        A   6  -8.150 -23.850  -4.382
   59    H3*    A   6           H3*        A   6  -8.505 -21.185  -5.192
   60    H2*    A   6           H2*        A   6  -6.558 -20.266  -4.302
   61   2HO*    A   6          2HO*        A   6  -7.264 -19.248  -2.610
   62    H1*    A   6           H1*        A   6  -6.388 -22.263  -2.072
   63    H8     A   6           H8         A   6  -4.356 -21.051  -5.185
   64   1H6     A   6          1H6         A   6   0.377 -20.670  -1.225
   65   2H6     A   6          2H6         A   6  -0.126 -20.431  -2.881
   66    H2     A   6           H2         A   6  -3.215 -22.130   1.042
   67   1H5*    U   7          1H5*        U   7 -10.589 -22.633   0.010
   68   2H5*    U   7          2H5*        U   7 -10.176 -20.955   0.418
   69    H4*    U   7           H4*        U   7  -9.726 -22.424   2.313
   70    H3*    U   7           H3*        U   7  -7.867 -20.605   1.371
   71    H2*    U   7           H2*        U   7  -6.428 -22.089   0.259
   72   2HO*    U   7          2HO*        U   7  -5.010 -23.074   2.095
   73    H1*    U   7           H1*        U   7  -6.846 -24.295   2.246
   74    H3     U   7           H3         U   7  -7.661 -27.156  -1.641
   75    H5     U   7           H5         U   7  -4.086 -24.939  -1.915
   76    H6     U   7           H6         U   7  -4.854 -23.593  -0.046
   77   1H5*    G   8          1H5*        G   8  -4.196 -21.828   3.393
   78   2H5*    G   8          2H5*        G   8  -4.466 -20.813   4.824
   79    H4*    G   8           H4*        G   8  -2.292 -20.267   4.074
   80    H3*    G   8           H3*        G   8  -4.352 -18.223   3.309
   81    H2*    G   8           H2*        G   8  -2.923 -17.099   1.872
   82   2HO*    G   8          2HO*        G   8  -0.772 -18.197   3.383
   83    H1*    G   8           H1*        G   8  -1.163 -19.196   1.201
   84    H8     G   8           H8         G   8  -4.881 -19.831   0.576
   85    H1     G   8           H1         G   8  -1.837 -17.032  -4.306
   86   1H2     G   8          1H2         G   8   0.204 -16.434  -3.690
   87   2H2     G   8          2H2         G   8   0.821 -16.725  -2.081
   88   1H5*    G   9          1H5*        G   9  -3.892 -14.056   3.949
   89   2H5*    G   9          2H5*        G   9  -4.420 -15.335   2.835
   90    H4*    G   9           H4*        G   9  -1.991 -13.566   2.392
   91    H3*    G   9           H3*        G   9  -4.842 -13.281   1.441
   92    H2*    G   9           H2*        G   9  -4.108 -12.667  -0.693
   93   2HO*    G   9          2HO*        G   9  -1.588 -12.370  -0.790
   94    H1*    G   9           H1*        G   9  -1.894 -14.318  -0.842
   95    H8     G   9           H8         G   9  -4.655 -16.435   0.504
   96    H1     G   9           H1         G   9  -5.407 -15.157  -5.728
   97   1H2     G   9          1H2         G   9  -3.981 -13.580  -6.347
   98   2H2     G   9          2H2         G   9  -2.850 -12.843  -5.237
   99   1H5*    A  10          1H5*        A  10  -0.508  -9.951   0.019
  100   2H5*    A  10          2H5*        A  10  -1.055  -8.449   0.795
  101    H4*    A  10           H4*        A  10  -0.815  -8.301  -1.704
  102    H3*    A  10           H3*        A  10  -3.443  -7.734  -0.342
  103    H2*    A  10           H2*        A  10  -4.565  -7.552  -2.360
  104   2HO*    A  10          2HO*        A  10  -3.522  -6.929  -4.283
  105    H1*    A  10           H1*        A  10  -2.916  -9.216  -3.942
  106    H8     A  10           H8         A  10  -4.552 -10.501  -0.681
  107   1H6     A  10          1H6         A  10  -8.957 -12.782  -4.353
  108   2H6     A  10          2H6         A  10  -8.352 -12.693  -2.716
  109    H2     A  10           H2         A  10  -6.145 -10.372  -6.905
  110   1H5*    A  11          1H5*        A  11  -2.074  -4.749  -3.450
  111   2H5*    A  11          2H5*        A  11  -2.690  -3.129  -3.071
  112    H4*    A  11           H4*        A  11  -3.148  -3.856  -5.417
  113    H3*    A  11           H3*        A  11  -5.457  -3.233  -3.568
  114    H2*    A  11           H2*        A  11  -6.986  -3.757  -5.284
  115   2HO*    A  11          2HO*        A  11  -4.761  -3.352  -6.982
  116    H1*    A  11           H1*        A  11  -5.644  -5.914  -6.347
  117    H8     A  11           H8         A  11  -5.685  -5.644  -2.499
  118   1H6     A  11          1H6         A  11 -10.763  -9.154  -2.771
  119   2H6     A  11          2H6         A  11  -9.599  -8.390  -1.712
  120    H2     A  11           H2         A  11  -9.579  -8.105  -6.976
  121   1H5*    G  12          1H5*        G  12  -6.081  -0.517  -7.098
  122   2H5*    G  12          2H5*        G  12  -6.850   0.951  -6.462
  123    H4*    G  12           H4*        G  12  -8.171  -0.251  -8.237
  124    H3*    G  12           H3*        G  12  -9.358   0.194  -5.489
  125    H2*    G  12           H2*        G  12 -11.341  -0.882  -6.181
  126   2HO*    G  12          2HO*        G  12 -12.054  -0.600  -8.136
  127    H1*    G  12           H1*        G  12 -10.167  -2.858  -7.701
  128    H8     G  12           H8         G  12  -8.285  -2.240  -4.437
  129    H1     G  12           H1         G  12 -13.392  -6.040  -3.812
  130   1H2     G  12          1H2         G  12 -14.566  -6.048  -5.697
  131   2H2     G  12          2H2         G  12 -14.092  -5.119  -7.100
  132   1H5*    A  13          1H5*        A  13 -12.061   1.308  -8.151
  133   2H5*    A  13          2H5*        A  13 -12.755   2.935  -8.010
  134    H4*    A  13           H4*        A  13 -14.585   1.418  -8.209
  135    H3*    A  13           H3*        A  13 -14.175   2.388  -5.376
  136    H2*    A  13           H2*        A  13 -15.926   1.022  -4.624
  137   2HO*    A  13          2HO*        A  13 -16.966   0.071  -6.936
  138    H1*    A  13           H1*        A  13 -15.533  -1.125  -6.345
  139    H8     A  13           H8         A  13 -12.378   0.275  -4.653
  140   1H6     A  13          1H6         A  13 -13.483  -3.832  -0.177
  141   2H6     A  13          2H6         A  13 -12.354  -2.650  -0.799
  142    H2     A  13           H2         A  13 -16.982  -3.891  -3.001
  143   1H5*    A  14          1H5*        A  14 -18.020   2.136  -6.110
  144   2H5*    A  14          2H5*        A  14 -18.802   3.715  -6.327
  145    H4*    A  14           H4*        A  14 -20.431   2.581  -5.148
  146    H3*    A  14           H3*        A  14 -18.673   3.995  -3.150
  147    H2*    A  14           H2*        A  14 -19.754   2.951  -1.348
  148   2HO*    A  14          2HO*        A  14 -21.872   3.017  -3.051
  149    H1*    A  14           H1*        A  14 -20.153   0.470  -2.466
  150    H8     A  14           H8         A  14 -16.777   2.271  -3.068
  151   1H6     A  14          1H6         A  14 -14.700  -1.077   1.689
  152   2H6     A  14          2H6         A  14 -14.260   0.039   0.416
  153    H2     A  14           H2         A  14 -19.119  -1.806   1.307
  154   1H5*    C  15          1H5*        C  15 -22.381   4.555  -1.404
  155   2H5*    C  15          2H5*        C  15 -22.557   6.270  -0.980
  156    H4*    C  15           H4*        C  15 -22.835   4.965   1.023
  157    H3*    C  15           H3*        C  15 -20.166   6.391   0.894
  158    H2*    C  15           H2*        C  15 -19.581   5.452   2.953
  159   2HO*    C  15          2HO*        C  15 -22.363   5.014   3.390
  160    H1*    C  15           H1*        C  15 -21.087   3.066   2.709
  161   1H4     C  15          1H4         C  15 -15.059   1.118   2.237
  162   2H4     C  15          2H4         C  15 -14.832   2.037   0.766
  163    H5     C  15           H5         C  15 -16.534   3.436  -0.193
  164    H6     C  15           H6         C  15 -18.810   4.305   0.071
  165   1H5*    C  16          1H5*        C  16 -21.687   6.679   4.465
  166   2H5*    C  16          2H5*        C  16 -21.670   8.258   5.277
  167    H4*    C  16           H4*        C  16 -20.602   6.668   6.728
  168    H3*    C  16           H3*        C  16 -18.672   8.551   5.360
  169    H2*    C  16           H2*        C  16 -16.867   7.444   6.319
  170   2HO*    C  16          2HO*        C  16 -18.342   6.045   8.240
  171    H1*    C  16           H1*        C  16 -18.081   4.890   6.599
  172   1H4     C  16          1H4         C  16 -13.574   3.996   2.222
  173   2H4     C  16          2H4         C  16 -14.331   5.140   1.134
  174    H5     C  16           H5         C  16 -16.315   6.389   1.700
  175    H6     C  16           H6         C  16 -17.980   6.834   3.445
  176   1H5*    G  17          1H5*        G  17 -18.916   8.434  10.086
  177   2H5*    G  17          2H5*        G  17 -18.455  10.052  10.651
  178    H4*    G  17           H4*        G  17 -17.480   8.297  12.069
  179    H3*    G  17           H3*        G  17 -15.573   9.974  10.431
  180    H2*    G  17           H2*        G  17 -13.745   8.747  11.258
  181   2HO*    G  17          2HO*        G  17 -15.188   7.249  13.116
  182    H1*    G  17           H1*        G  17 -14.929   6.256  11.281
  183    H8     G  17           H8         G  17 -15.891   8.118   8.130
  184    H1     G  17           H1         G  17 -10.079   5.465   7.814
  185   1H2     G  17          1H2         G  17  -9.474   4.714   9.818
  186   2H2     G  17          2H2         G  17 -10.496   4.877  11.230
  187   1H5*    G  18          1H5*        G  18 -13.375   9.286  13.476
  188   2H5*    G  18          2H5*        G  18 -13.270  10.752  14.469
  189    H4*    G  18           H4*        G  18 -11.049  10.101  14.365
  190    H3*    G  18           H3*        G  18 -11.523  11.998  12.055
  191    H2*    G  18           H2*        G  18  -9.353  11.624  11.289
  192   2HO*    G  18          2HO*        G  18  -7.715  10.787  12.745
  193    H1*    G  18           H1*        G  18  -9.034   8.999  12.338
  194    H8     G  18           H8         G  18 -12.023   9.345  10.032
  195    H1     G  18           H1         G  18  -6.497   8.453   6.918
  196   1H2     G  18          1H2         G  18  -4.795   8.617   8.332
  197   2H2     G  18          2H2         G  18  -5.016   8.951  10.036
  198   1H5*    G  19          1H5*        G  19  -7.845  12.515  13.294
  199   2H5*    G  19          2H5*        G  19  -7.628  14.099  14.064
  200    H4*    G  19           H4*        G  19  -5.733  13.882  12.705
  201    H3*    G  19           H3*        G  19  -7.848  15.502  11.291
  202    H2*    G  19           H2*        G  19  -6.621  15.525   9.319
  203   2HO*    G  19          2HO*        G  19  -4.742  16.415   9.925
  204    H1*    G  19           H1*        G  19  -5.142  13.131   9.717
  205    H8     G  19           H8         G  19  -9.010  13.190   9.702
  206    H1     G  19           H1         G  19  -6.296  11.754   4.084
  207   1H2     G  19          1H2         G  19  -4.093  11.963   4.229
  208   2H2     G  19          2H2         G  19  -3.290  12.453   5.704
  209   1H5*    G  20          1H5*        G  20  -7.648  19.889  10.295
  210   2H5*    G  20          2H5*        G  20  -8.640  18.709   9.415
  211    H4*    G  20           H4*        G  20  -5.642  19.116   9.260
  212    H3*    G  20           H3*        G  20  -7.932  19.607   7.389
  213    H2*    G  20           H2*        G  20  -6.857  18.622   5.553
  214   2HO*    G  20          2HO*        G  20  -4.519  18.084   5.780
  215    H1*    G  20           H1*        G  20  -5.623  16.531   6.787
  216    H8     G  20           H8         G  20  -8.738  16.383   8.665
  217    H1     G  20           H1         G  20  -9.828  15.063   2.497
  218   1H2     G  20          1H2         G  20  -8.070  15.592   1.287
  219   2H2     G  20          2H2         G  20  -6.626  16.291   1.982
  220   1H5*    A  21          1H5*        A  21  -8.773  23.864   6.450
  221   2H5*    A  21          2H5*        A  21  -9.517  22.355   5.887
  222    H4*    A  21           H4*        A  21  -9.467  24.303   4.234
  223    H3*    A  21           H3*        A  21  -8.601  21.505   3.646
  224    H2*    A  21           H2*        A  21  -7.526  22.030   1.649
  225   2HO*    A  21          2HO*        A  21  -9.552  23.808   1.466
  226    H1*    A  21           H1*        A  21  -6.575  24.548   2.208
  227    H8     A  21           H8         A  21  -6.046  22.270   5.199
  228   1H6     A  21          1H6         A  21  -0.762  20.543   2.513
  229   2H6     A  21          2H6         A  21  -1.728  20.467   3.969
  230    H2     A  21           H2         A  21  -3.069  23.011  -0.448
  231   1H5*    A  22          1H5*        A  22 -10.697  19.053   0.478
  232   2H5*    A  22          2H5*        A  22  -9.393  18.262   1.387
  233    H4*    A  22           H4*        A  22  -9.285  19.910  -1.081
  234    H3*    A  22           H3*        A  22  -7.902  17.488   0.009
  235    H2*    A  22           H2*        A  22  -5.811  18.061  -0.841
  236   2HO*    A  22          2HO*        A  22  -6.737  20.124  -2.499
  237    H1*    A  22           H1*        A  22  -5.906  20.802  -0.640
  238    H8     A  22           H8         A  22  -7.227  20.099   2.646
  239   1H6     A  22          1H6         A  22  -1.686  18.042   4.445
  240   2H6     A  22          2H6         A  22  -3.274  18.547   4.977
  241    H2     A  22           H2         A  22  -1.665  18.334  -0.041
  242   1H5*    A  23          1H5*        A  23  -6.934  15.675  -4.843
  243   2H5*    A  23          2H5*        A  23  -7.058  14.260  -3.777
  244    H4*    A  23           H4*        A  23  -4.777  15.067  -5.067
  245    H3*    A  23           H3*        A  23  -5.271  13.329  -2.672
  246    H2*    A  23           H2*        A  23  -3.028  13.412  -1.970
  247   2HO*    A  23          2HO*        A  23  -2.051  14.797  -4.184
  248    H1*    A  23           H1*        A  23  -2.500  16.024  -2.460
  249    H8     A  23           H8         A  23  -6.125  15.538  -1.349
  250   1H6     A  23          1H6         A  23  -4.044  16.133   4.436
  251   2H6     A  23          2H6         A  23  -5.474  16.024   3.429
  252    H2     A  23           H2         A  23  -0.476  15.921   1.687
  253   1H5*    C  24          1H5*        C  24  -2.567  11.294  -4.143
  254   2H5*    C  24          2H5*        C  24  -2.608   9.520  -4.086
  255    H4*    C  24           H4*        C  24  -1.097  10.577  -2.385
  256    H3*    C  24           H3*        C  24  -3.400   8.838  -1.477
  257    H2*    C  24           H2*        C  24  -2.789   9.197   0.765
  258   2HO*    C  24          2HO*        C  24  -0.765   9.711   1.402
  259    H1*    C  24           H1*        C  24  -1.980  11.845   0.510
  260   1H4     C  24          1H4         C  24  -7.868  11.935   2.977
  261   2H4     C  24          2H4         C  24  -8.544  11.864   1.365
  262    H5     C  24           H5         C  24  -7.199  11.607  -0.620
  263    H6     C  24           H6         C  24  -4.922  11.326  -1.481
  264   1H5*    U  25          1H5*        U  25  -0.651   7.906   0.799
  265   2H5*    U  25          2H5*        U  25  -0.148   6.208   0.894
  266    H4*    U  25           H4*        U  25  -0.608   6.961   3.125
  267    H3*    U  25           H3*        U  25  -2.799   5.183   2.022
  268    H2*    U  25           H2*        U  25  -3.980   5.426   4.027
  269   2HO*    U  25          2HO*        U  25  -2.274   6.664   5.674
  270    H1*    U  25           H1*        U  25  -3.122   8.038   4.646
  271    H3     U  25           H3         U  25  -7.644   8.375   4.460
  272    H5     U  25           H5         U  25  -6.472   7.911   0.436
  273    H6     U  25           H6         U  25  -4.205   7.517   1.209
  274   1H5*    U  26          1H5*        U  26  -2.242   4.441   5.791
  275   2H5*    U  26          2H5*        U  26  -1.601   2.821   6.128
  276    H4*    U  26           H4*        U  26  -3.230   2.952   7.746
  277    H3*    U  26           H3*        U  26  -4.666   1.889   5.299
  278    H2*    U  26           H2*        U  26  -6.667   1.893   6.528
  279   2HO*    U  26          2HO*        U  26  -5.329   2.390   8.968
  280    H1*    U  26           H1*        U  26  -6.147   4.190   8.038
  281    H3     U  26           H3         U  26  -9.653   5.746   5.692
  282    H5     U  26           H5         U  26  -6.862   4.765   2.695
  283    H6     U  26           H6         U  26  -5.410   3.886   4.426
  284   1H5*    G  27          1H5*        G  27  -5.577   0.035   8.817
  285   2H5*    G  27          2H5*        G  27  -6.190  -1.630   8.760
  286    H4*    G  27           H4*        G  27  -7.781   0.055   9.745
  287    H3*    G  27           H3*        G  27  -8.621  -1.497   7.279
  288    H2*    G  27           H2*        G  27 -10.692  -0.415   7.374
  289   2HO*    G  27          2HO*        G  27 -11.093   0.834   9.499
  290    H1*    G  27           H1*        G  27  -9.744   1.999   8.521
  291    H8     G  27           H8         G  27  -8.077   0.804   5.273
  292    H1     G  27           H1         G  27 -13.326   4.369   4.425
  293   1H2     G  27          1H2         G  27 -14.311   4.736   6.381
  294   2H2     G  27          2H2         G  27 -13.677   4.103   7.883
  295   1H5*    G  28          1H5*        G  28 -11.287  -2.987  10.932
  296   2H5*    G  28          2H5*        G  28 -11.553  -4.696  10.540
  297    H4*    G  28           H4*        G  28 -13.657  -3.598  11.139
  298    H3*    G  28           H3*        G  28 -13.360  -4.510   8.275
  299    H2*    G  28           H2*        G  28 -15.480  -3.629   7.742
  300   2HO*    G  28          2HO*        G  28 -17.043  -3.228   9.237
  301    H1*    G  28           H1*        G  28 -15.338  -1.325   9.215
  302    H8     G  28           H8         G  28 -11.997  -2.174   7.579
  303    H1     G  28           H1         G  28 -16.050   0.882   3.686
  304   1H2     G  28          1H2         G  28 -18.034   1.097   4.673
  305   2H2     G  28          2H2         G  28 -18.369   0.453   6.265
  306   1H5*    U  29          1H5*        U  29 -17.264  -6.334   9.268
  307   2H5*    U  29          2H5*        U  29 -17.058  -8.041   8.827
  308    H4*    U  29           H4*        U  29 -19.046  -7.177   7.748
  309    H3*    U  29           H3*        U  29 -16.718  -7.700   5.894
  310    H2*    U  29           H2*        U  29 -17.945  -6.891   4.073
  311   2HO*    U  29          2HO*        U  29 -20.388  -6.800   5.456
  312    H1*    U  29           H1*        U  29 -19.399  -4.919   5.401
  313    H3     U  29           H3         U  29 -16.907  -2.557   2.453
  314    H5     U  29           H5         U  29 -14.114  -3.883   5.318
  315    H6     U  29           H6         U  29 -15.879  -5.214   6.323
  316   1H5*    U  30          1H5*        U  30 -20.443  -9.105   4.116
  317   2H5*    U  30          2H5*        U  30 -20.156 -10.753   3.525
  318    H4*    U  30           H4*        U  30 -21.231  -9.391   1.802
  319    H3*    U  30           H3*        U  30 -18.367 -10.205   1.257
  320    H2*    U  30           H2*        U  30 -18.431  -9.054  -0.788
  321   2HO*    U  30          2HO*        U  30 -20.435  -8.399  -1.734
  322    H1*    U  30           H1*        U  30 -20.053  -6.938   0.015
  323    H3     U  30           H3         U  30 -16.204  -4.765  -0.868
  324    H5     U  30           H5         U  30 -15.278  -7.086   2.528
  325    H6     U  30           H6         U  30 -17.465  -8.117   2.339
  326   1H5*    C  31          1H5*        C  31 -20.606 -10.757  -2.279
  327   2H5*    C  31          2H5*        C  31 -20.024 -12.185  -3.159
  328    H4*    C  31           H4*        C  31 -19.886 -10.043  -4.458
  329    H3*    C  31           H3*        C  31 -17.361 -11.607  -3.881
  330    H2*    C  31           H2*        C  31 -16.102  -9.984  -4.981
  331   2HO*    C  31          2HO*        C  31 -17.248  -8.437  -6.420
  332    H1*    C  31           H1*        C  31 -17.778  -7.772  -4.441
  333   1H4     C  31          1H4         C  31 -12.550  -6.731  -0.981
  334   2H4     C  31          2H4         C  31 -12.930  -8.078   0.069
  335    H5     C  31           H5         C  31 -14.820  -9.535  -0.281
  336    H6     C  31           H6         C  31 -16.734 -10.030  -1.730
  337   1H5*    U  32          1H5*        U  32 -17.983 -11.338  -8.533
  338   2H5*    U  32          2H5*        U  32 -17.264 -12.838  -9.152
  339    H4*    U  32           H4*        U  32 -16.434 -10.782 -10.299
  340    H3*    U  32           H3*        U  32 -14.529 -12.603  -8.843
  341    H2*    U  32           H2*        U  32 -12.723 -11.159  -9.220
  342   2HO*    U  32          2HO*        U  32 -14.047  -9.426 -10.956
  343    H1*    U  32           H1*        U  32 -14.031  -8.747  -8.970
  344    H3     U  32           H3         U  32 -11.477  -8.676  -5.263
  345    H5     U  32           H5         U  32 -14.292 -11.705  -4.463
  346    H6     U  32           H6         U  32 -15.113 -11.447  -6.733
  347   1H5*    U  33          1H5*        U  33 -13.077 -11.967 -13.041
  348   2H5*    U  33          2H5*        U  33 -12.322 -13.453 -13.651
  349    H4*    U  33           H4*        U  33 -10.880 -11.400 -13.821
  350    H3*    U  33           H3*        U  33 -10.004 -13.881 -12.388
  351    H2*    U  33           H2*        U  33  -8.149 -12.879 -11.420
  352   2HO*    U  33          2HO*        U  33  -8.062 -11.635 -13.818
  353    H1*    U  33           H1*        U  33  -9.038 -10.243 -11.223
  354    H3     U  33           H3         U  33  -8.346 -11.222  -6.872
  355    H5     U  33           H5         U  33 -11.649 -13.620  -7.931
  356    H6     U  33           H6         U  33 -11.353 -12.901 -10.228
  357   1H5*    C  34          1H5*        C  34  -5.476 -13.856 -14.848
  358   2H5*    C  34          2H5*        C  34  -5.338 -15.151 -13.642
  359    H4*    C  34           H4*        C  34  -4.321 -12.410 -13.579
  360    H3*    C  34           H3*        C  34  -3.739 -15.001 -12.159
  361    H2*    C  34           H2*        C  34  -2.916 -13.904 -10.265
  362   2HO*    C  34          2HO*        C  34  -2.193 -12.032 -12.120
  363    H1*    C  34           H1*        C  34  -4.614 -11.733 -10.223
  364   1H4     C  34          1H4         C  34  -6.944 -16.009  -6.080
  365   2H4     C  34          2H4         C  34  -7.952 -16.660  -7.354
  366    H5     C  34           H5         C  34  -7.812 -15.941  -9.650
  367    H6     C  34           H6         C  34  -6.653 -14.463 -11.225
  368   1H5*    C  35          1H5*        C  35   0.152 -12.611 -11.197
  369   2H5*    C  35          2H5*        C  35   1.204 -13.722 -12.097
  370    H4*    C  35           H4*        C  35   2.059 -13.302  -9.828
  371    H3*    C  35           H3*        C  35   1.175 -16.085 -10.554
  372    H2*    C  35           H2*        C  35   1.423 -16.859  -8.375
  373   2HO*    C  35          2HO*        C  35   3.641 -15.833  -8.381
  374    H1*    C  35           H1*        C  35   0.896 -14.486  -6.977
  375   1H4     C  35          1H4         C  35  -4.335 -17.984  -6.078
  376   2H4     C  35          2H4         C  35  -4.827 -17.725  -7.736
  377    H5     C  35           H5         C  35  -3.476 -16.555  -9.346
  378    H6     C  35           H6         C  35  -1.365 -15.368  -9.716
  379   1H5*    U  36          1H5*        U  36   5.198 -19.285  -9.773
  380   2H5*    U  36          2H5*        U  36   3.444 -19.145  -9.534
  381    H4*    U  36           H4*        U  36   5.492 -18.519  -7.385
  382    H3*    U  36           H3*        U  36   4.185 -21.130  -8.101
  383    H2*    U  36           H2*        U  36   3.510 -21.544  -5.917
  384   2HO*    U  36          2HO*        U  36   5.864 -20.223  -5.355
  385    H1*    U  36           H1*        U  36   3.227 -18.907  -5.002
  386    H3     U  36           H3         U  36  -0.840 -20.871  -4.422
  387    H5     U  36           H5         U  36  -0.639 -19.991  -8.539
  388    H6     U  36           H6         U  36   1.688 -19.382  -8.227
  389   1H5*    A  37          1H5*        A  37   6.080 -21.828  -3.824
  390   2H5*    A  37          2H5*        A  37   7.019 -23.245  -4.333
  391    H4*    A  37           H4*        A  37   5.261 -23.444  -2.392
  392    H3*    A  37           H3*        A  37   6.379 -25.367  -4.068
  393    H2*    A  37           H2*        A  37   4.582 -25.628  -5.554
  394   2HO*    A  37          2HO*        A  37   2.989 -27.016  -3.899
  395    H1*    A  37           H1*        A  37   2.535 -25.103  -3.416
  396    H8     A  37           H8         A  37   3.714 -24.039  -6.979
  397   1H6     A  37          1H6         A  37  -2.314 -23.628  -8.261
  398   2H6     A  37          2H6         A  37  -0.693 -23.490  -8.906
  399    H2     A  37           H2         A  37  -1.896 -24.720  -3.920
  400   1H5*    A  38          1H5*        A  38   7.334 -27.191   0.559
  401   2H5*    A  38          2H5*        A  38   6.875 -28.906   0.499
  402    H4*    A  38           H4*        A  38   6.393 -27.729   2.684
  403    H3*    A  38           H3*        A  38   4.349 -29.253   1.122
  404    H2*    A  38           H2*        A  38   2.537 -28.461   2.342
  405   2HO*    A  38          2HO*        A  38   4.316 -28.641   4.365
  406    H1*    A  38           H1*        A  38   3.443 -25.940   3.046
  407    H8     A  38           H8         A  38   4.217 -25.981  -0.536
  408   1H6     A  38          1H6         A  38  -1.797 -25.279  -1.755
  409   2H6     A  38          2H6         A  38  -0.179 -25.229  -2.420
  410    H2     A  38           H2         A  38  -1.384 -26.361   2.588
  411   1H5*    G  39          1H5*        G  39   3.256 -32.071   4.889
  412   2H5*    G  39          2H5*        G  39   2.689 -33.250   3.689
  413    H4*    G  39           H4*        G  39   1.072 -31.772   5.345
  414    H3*    G  39           H3*        G  39   0.608 -33.288   2.812
  415    H2*    G  39           H2*        G  39  -1.367 -32.174   2.261
  416   2HO*    G  39          2HO*        G  39  -2.711 -31.284   3.744
  417    H1*    G  39           H1*        G  39  -0.816 -29.655   3.161
  418    H8     G  39           H8         G  39   2.417 -30.605   1.638
  419    H1     G  39           H1         G  39  -2.049 -29.522  -2.820
  420   1H2     G  39          1H2         G  39  -4.059 -29.436  -1.879
  421   2H2     G  39          2H2         G  39  -4.300 -29.642  -0.159
  422   1H5*    U  40          1H5*        U  40  -3.500 -34.030   4.662
  423   2H5*    U  40          2H5*        U  40  -3.493 -35.803   4.582
  424    H4*    U  40           H4*        U  40  -5.469 -34.766   3.472
  425    H3*    U  40           H3*        U  40  -3.557 -36.502   1.939
  426    H2*    U  40           H2*        U  40  -4.565 -36.026  -0.118
  427   2HO*    U  40          2HO*        U  40  -6.658 -36.066  -0.171
  428    H1*    U  40           H1*        U  40  -5.234 -33.393   0.286
  429    H3     U  40           H3         U  40  -1.950 -33.183  -2.839
  430    H5     U  40           H5         U  40   0.086 -34.024   0.755
  431    H6     U  40           H6         U  40  -2.068 -34.293   1.838
  432   1H5*    C  41          1H5*        C  41  -7.368 -37.413   0.893
  433   2H5*    C  41          2H5*        C  41  -7.859 -39.118   0.826
  434    H4*    C  41           H4*        C  41  -8.388 -38.015  -1.279
  435    H3*    C  41           H3*        C  41  -6.174 -40.062  -1.352
  436    H2*    C  41           H2*        C  41  -5.759 -39.620  -3.612
  437   2HO*    C  41          2HO*        C  41  -7.891 -37.976  -4.171
  438    H1*    C  41           H1*        C  41  -6.302 -36.896  -3.614
  439   1H4     C  41          1H4         C  41   0.050 -37.284  -3.501
  440   2H4     C  41          2H4         C  41   0.018 -37.743  -1.813
  441    H5     C  41           H5         C  41  -2.018 -38.118  -0.584
  442    H6     C  41           H6         C  41  -4.466 -38.145  -0.709
  443   1H5*    C  42          1H5*        C  42  -8.385 -40.460  -4.483
  444   2H5*    C  42          2H5*        C  42  -9.204 -42.001  -4.808
  445    H4*    C  42           H4*        C  42  -8.200 -41.377  -6.857
  446    H3*    C  42           H3*        C  42  -6.543 -43.452  -5.413
  447    H2*    C  42           H2*        C  42  -4.925 -43.369  -7.111
  448   2HO*    C  42          2HO*        C  42  -6.573 -41.822  -8.805
  449    H1*    C  42           H1*        C  42  -5.085 -40.656  -7.676
  450   1H4     C  42          1H4         C  42   0.054 -41.172  -3.960
  451   2H4     C  42          2H4         C  42  -0.949 -41.501  -2.565
  452    H5     C  42           H5         C  42  -3.341 -41.706  -2.677
  453    H6     C  42           H6         C  42  -5.295 -41.682  -4.155
  454   1H5*    U  43          1H5*        U  43  -6.227 -44.036  -9.261
  455   2H5*    U  43          2H5*        U  43  -6.516 -45.704  -9.789
  456    H4*    U  43           H4*        U  43  -4.342 -44.812 -10.573
  457    H3*    U  43           H3*        U  43  -4.441 -47.197  -8.764
  458    H2*    U  43           H2*        U  43  -2.250 -47.009  -8.162
  459   2HO*    U  43          2HO*        U  43  -0.666 -46.940  -9.692
  460    H1*    U  43           H1*        U  43  -1.781 -44.460  -9.589
  461    H3     U  43           H3         U  43   1.387 -44.078  -6.418
  462    H5     U  43           H5         U  43  -2.222 -44.173  -4.235
  463    H6     U  43           H6         U  43  -3.375 -44.676  -6.311
  464    H3T    U  43           H3T        U  43  -4.819 -46.986 -11.180
  465   1H5*    G  44          1H5*        G  44  -7.178  44.275  -6.934
  466   2H5*    G  44          2H5*        G  44  -7.766  42.603  -7.027
  467    H4*    G  44           H4*        G  44  -6.953  42.924  -9.170
  468    H3*    G  44           H3*        G  44  -4.880  41.612  -7.463
  469    H2*    G  44           H2*        G  44  -3.117  41.987  -8.955
  470   2HO*    G  44          2HO*        G  44  -4.573  42.973 -11.089
  471    H1*    G  44           H1*        G  44  -3.741  44.470  -9.857
  472    H8     G  44           H8         G  44  -4.760  44.633  -6.277
  473    H1     G  44           H1         G  44   1.609  44.688  -6.942
  474   1H2     G  44          1H2         G  44   2.158  44.184  -9.033
  475   2H2     G  44          2H2         G  44   0.962  43.828 -10.260
  476    H5T    G  44           H5T        G  44  -6.415  43.192  -5.165
  477   1H5*    G  45          1H5*        G  45  -3.863  40.358 -10.993
  478   2H5*    G  45          2H5*        G  45  -3.804  38.592 -11.159
  479    H4*    G  45           H4*        G  45  -1.676  39.677 -11.814
  480    H3*    G  45           H3*        G  45  -1.696  37.792  -9.460
  481    H2*    G  45           H2*        G  45   0.534  38.247  -8.978
  482   2HO*    G  45          2HO*        G  45   1.298  39.577 -11.247
  483    H1*    G  45           H1*        G  45   0.657  40.889  -9.955
  484    H8     G  45           H8         G  45  -2.196  40.591  -7.534
  485    H1     G  45           H1         G  45   3.492  41.106  -4.642
  486   1H2     G  45          1H2         G  45   5.122  40.834  -6.119
  487   2H2     G  45          2H2         G  45   4.813  40.538  -7.814
  488   1H5*    G  46          1H5*        G  46   1.289  36.804 -11.714
  489   2H5*    G  46          2H5*        G  46   1.485  35.181 -12.407
  490    H4*    G  46           H4*        G  46   3.551  35.700 -11.356
  491    H3*    G  46           H3*        G  46   1.849  33.829  -9.713
  492    H2*    G  46           H2*        G  46   3.355  33.897  -7.936
  493   2HO*    G  46          2HO*        G  46   5.566  34.847  -8.431
  494    H1*    G  46           H1*        G  46   4.331  36.504  -8.301
  495    H8     G  46           H8         G  46   0.514  36.017  -8.206
  496    H1     G  46           H1         G  46   3.222  37.101  -2.508
  497   1H2     G  46          1H2         G  46   5.436  37.103  -2.714
  498   2H2     G  46          2H2         G  46   6.238  36.830  -4.243
  499   1H5*    A  47          1H5*        A  47   5.806  32.892  -9.684
  500   2H5*    A  47          2H5*        A  47   6.229  31.228 -10.132
  501    H4*    A  47           H4*        A  47   7.478  31.857  -8.156
  502    H3*    A  47           H3*        A  47   5.273  29.845  -7.714
  503    H2*    A  47           H2*        A  47   5.639  29.853  -5.410
  504   2HO*    A  47          2HO*        A  47   7.845  31.119  -4.892
  505    H1*    A  47           H1*        A  47   6.516  32.505  -5.130
  506    H8     A  47           H8         A  47   3.229  31.849  -7.034
  507   1H6     A  47          1H6         A  47   0.436  32.691  -1.592
  508   2H6     A  47          2H6         A  47   0.201  32.443  -3.306
  509    H2     A  47           H2         A  47   4.877  32.726  -0.886
  510   1H5*    U  48          1H5*        U  48   8.611  28.082  -5.766
  511   2H5*    U  48          2H5*        U  48   8.499  26.313  -5.844
  512    H4*    U  48           H4*        U  48   8.347  27.381  -3.526
  513    H3*    U  48           H3*        U  48   6.333  25.411  -4.594
  514    H2*    U  48           H2*        U  48   4.918  25.727  -2.785
  515   2HO*    U  48          2HO*        U  48   6.331  26.955  -0.912
  516    H1*    U  48           H1*        U  48   5.725  28.350  -2.052
  517    H3     U  48           H3         U  48   1.236  28.743  -2.415
  518    H5     U  48           H5         U  48   2.550  28.244  -6.390
  519    H6     U  48           H6         U  48   4.776  27.811  -5.527
  520   1H5*    A  49          1H5*        A  49   7.197  24.786  -0.843
  521   2H5*    A  49          2H5*        A  49   8.940  24.491  -0.674
  522    H4*    A  49           H4*        A  49   8.224  24.072   1.476
  523    H3*    A  49           H3*        A  49   8.786  21.697   0.021
  524    H2*    A  49           H2*        A  49   6.694  20.706   0.119
  525   2HO*    A  49          2HO*        A  49   7.998  20.306   2.484
  526    H1*    A  49           H1*        A  49   5.847  22.185   2.583
  527    H8     A  49           H8         A  49   4.929  21.676  -1.175
  528   1H6     A  49          1H6         A  49  -0.853  21.004   0.897
  529   2H6     A  49          2H6         A  49   0.174  20.981  -0.518
  530    H2     A  49           H2         A  49   1.788  21.885   4.422
  531   1H5*    U  50          1H5*        U  50   9.423  21.835   5.875
  532   2H5*    U  50          2H5*        U  50   8.974  20.118   5.862
  533    H4*    U  50           H4*        U  50   7.845  21.226   7.698
  534    H3*    U  50           H3*        U  50   6.448  19.699   5.861
  535    H2*    U  50           H2*        U  50   5.475  21.444   4.621
  536   2HO*    U  50          2HO*        U  50   3.411  21.975   5.580
  537    H1*    U  50           H1*        U  50   5.134  23.187   7.044
  538    H3     U  50           H3         U  50   7.067  26.770   4.344
  539    H5     U  50           H5         U  50   3.897  24.765   2.418
  540    H6     U  50           H6         U  50   4.051  23.033   4.110
  541   1H5*    G  51          1H5*        G  51   2.328  20.693   6.616
  542   2H5*    G  51          2H5*        G  51   2.195  19.643   8.041
  543    H4*    G  51           H4*        G  51   0.345  18.927   6.909
  544    H3*    G  51           H3*        G  51   2.650  17.264   5.972
  545    H2*    G  51           H2*        G  51   1.539  16.435   4.109
  546   2HO*    G  51          2HO*        G  51  -0.306  15.582   4.677
  547    H1*    G  51           H1*        G  51  -0.153  18.557   3.522
  548    H8     G  51           H8         G  51   3.457  19.598   4.178
  549    H1     G  51           H1         G  51   2.370  17.770  -1.852
  550   1H2     G  51          1H2         G  51   0.337  16.926  -2.047
  551   2H2     G  51          2H2         G  51  -0.765  16.807  -0.692
  552   1H5*    G  52          1H5*        G  52   2.183  12.745   6.101
  553   2H5*    G  52          2H5*        G  52   3.479  13.379   5.068
  554    H4*    G  52           H4*        G  52   0.618  12.761   4.392
  555    H3*    G  52           H3*        G  52   3.313  12.021   3.339
  556    H2*    G  52           H2*        G  52   2.738  12.296   1.090
  557   2HO*    G  52          2HO*        G  52   0.442  11.296   1.870
  558    H1*    G  52           H1*        G  52   1.114  14.469   1.246
  559    H8     G  52           H8         G  52   3.565  15.564   3.709
  560    H1     G  52           H1         G  52   6.187  15.392  -2.129
  561   1H2     G  52          1H2         G  52   4.890  14.239  -3.509
  562   2H2     G  52          2H2         G  52   3.385  13.510  -3.000
  563   1H5*    A  53          1H5*        A  53   0.962   8.871   1.945
  564   2H5*    A  53          2H5*        A  53   1.589   7.222   2.134
  565    H4*    A  53           H4*        A  53   1.490   7.875  -0.232
  566    H3*    A  53           H3*        A  53   4.208   7.412   0.991
  567    H2*    A  53           H2*        A  53   5.279   8.049  -0.986
  568   2HO*    A  53          2HO*        A  53   3.112   6.893  -2.104
  569    H1*    A  53           H1*        A  53   3.478   9.988  -1.844
  570    H8     A  53           H8         A  53   4.105  10.702   1.764
  571   1H6     A  53          1H6         A  53   9.451  13.312   0.107
  572   2H6     A  53          2H6         A  53   8.317  13.060   1.416
  573    H2     A  53           H2         A  53   7.803  11.146  -3.471
  574   1H5*    A  54          1H5*        A  54   3.624   5.009  -2.588
  575   2H5*    A  54          2H5*        A  54   4.432   3.428  -2.570
  576    H4*    A  54           H4*        A  54   5.027   4.841  -4.543
  577    H3*    A  54           H3*        A  54   7.186   3.978  -2.611
  578    H2*    A  54           H2*        A  54   8.803   5.125  -3.894
  579   2HO*    A  54          2HO*        A  54   7.164   5.946  -5.958
  580    H1*    A  54           H1*        A  54   7.317   7.359  -4.447
  581    H8     A  54           H8         A  54   6.576   6.290  -0.886
  582   1H6     A  54          1H6         A  54  11.678   9.360   0.747
  583   2H6     A  54          2H6         A  54  10.256   8.526   1.328
  584    H2     A  54           H2         A  54  11.569   9.157  -3.739
  585   1H5*    G  55          1H5*        G  55   8.583   2.340  -6.269
  586   2H5*    G  55          2H5*        G  55   9.113   0.655  -6.093
  587    H4*    G  55           H4*        G  55  10.928   2.044  -6.961
  588    H3*    G  55           H3*        G  55  11.252   0.898  -4.194
  589    H2*    G  55           H2*        G  55  13.247   2.065  -3.847
  590   2HO*    G  55          2HO*        G  55  14.259   3.056  -5.869
  591    H1*    G  55           H1*        G  55  12.710   4.325  -5.398
  592    H8     G  55           H8         G  55   9.884   3.471  -3.000
  593    H1     G  55           H1         G  55  14.627   6.802  -0.307
  594   1H2     G  55          1H2         G  55  16.351   6.941  -1.694
  595   2H2     G  55          2H2         G  55  16.335   6.207  -3.282
  596   1H5*    A  56          1H5*        A  56  15.043   0.203  -5.616
  597   2H5*    A  56          2H5*        A  56  15.394  -1.527  -5.436
  598    H4*    A  56           H4*        A  56  17.120  -0.298  -4.303
  599    H3*    A  56           H3*        A  56  15.142  -1.619  -2.437
  600    H2*    A  56           H2*        A  56  16.201  -0.673  -0.595
  601   2HO*    A  56          2HO*        A  56  18.412   0.029  -0.713
  602    H1*    A  56           H1*        A  56  17.230   1.643  -1.870
  603    H8     A  56           H8         A  56  13.449   0.902  -2.000
  604   1H6     A  56          1H6         A  56  13.061   4.450   3.044
  605   2H6     A  56          2H6         A  56  12.159   3.552   1.845
  606    H2     A  56           H2         A  56  17.413   3.929   2.051
  607   1H5*    A  57          1H5*        A  57  19.580  -2.155  -1.755
  608   2H5*    A  57          2H5*        A  57  19.853  -3.894  -1.526
  609    H4*    A  57           H4*        A  57  21.309  -2.814  -0.001
  610    H3*    A  57           H3*        A  57  18.830  -3.874   1.358
  611    H2*    A  57           H2*        A  57  19.531  -2.966   3.427
  612   2HO*    A  57          2HO*        A  57  22.022  -2.150   2.371
  613    H1*    A  57           H1*        A  57  20.393  -0.558   2.507
  614    H8     A  57           H8         A  57  17.351  -2.031   0.654
  615   1H6     A  57          1H6         A  57  13.903   1.118   4.686
  616   2H6     A  57          2H6         A  57  13.890   0.134   3.241
  617    H2     A  57           H2         A  57  18.204   1.529   5.932
  618   1H5*    C  58          1H5*        C  58  21.825  -5.498   4.043
  619   2H5*    C  58          2H5*        C  58  21.282  -7.145   4.424
  620    H4*    C  58           H4*        C  58  21.482  -5.698   6.435
  621    H3*    C  58           H3*        C  58  18.727  -6.729   5.706
  622    H2*    C  58           H2*        C  58  17.859  -5.651   7.603
  623   2HO*    C  58          2HO*        C  58  19.677  -4.720   9.095
  624    H1*    C  58           H1*        C  58  19.582  -3.439   7.568
  625   1H4     C  58          1H4         C  58  13.971  -1.300   5.432
  626   2H4     C  58          2H4         C  58  14.226  -2.094   3.894
  627    H5     C  58           H5         C  58  16.140  -3.481   3.422
  628    H6     C  58           H6         C  58  18.198  -4.447   4.339
  629   1H5*    C  59          1H5*        C  59  19.367  -7.397   9.517
  630   2H5*    C  59          2H5*        C  59  18.802  -8.910  10.253
  631    H4*    C  59           H4*        C  59  17.797  -6.985  11.372
  632    H3*    C  59           H3*        C  59  15.917  -8.696   9.733
  633    H2*    C  59           H2*        C  59  14.139  -7.275  10.256
  634   2HO*    C  59          2HO*        C  59  14.469  -5.685  12.050
  635    H1*    C  59           H1*        C  59  15.597  -4.882  10.436
  636   1H4     C  59          1H4         C  59  12.276  -4.504   5.023
  637   2H4     C  59          2H4         C  59  13.291  -5.716   4.271
  638    H5     C  59           H5         C  59  15.092  -6.837   5.429
  639    H6     C  59           H6         C  59  16.234  -7.107   7.582
  640   1H5*    G  60          1H5*        G  60  14.642  -8.724  14.365
  641   2H5*    G  60          2H5*        G  60  14.149 -10.418  14.563
  642    H4*    G  60           H4*        G  60  12.543  -8.901  15.627
  643    H3*    G  60           H3*        G  60  11.574 -10.437  13.211
  644    H2*    G  60           H2*        G  60   9.468  -9.403  13.381
  645   2HO*    G  60          2HO*        G  60  10.259  -8.624  16.007
  646    H1*    G  60           H1*        G  60  10.332  -6.889  14.122
  647    H8     G  60           H8         G  60  12.591  -8.262  11.419
  648    H1     G  60           H1         G  60   7.135  -5.811   9.145
  649   1H2     G  60          1H2         G  60   5.736  -5.389  10.813
  650   2H2     G  60          2H2         G  60   6.140  -5.716  12.483
  651   1H5*    G  61          1H5*        G  61   8.295 -10.135  15.284
  652   2H5*    G  61          2H5*        G  61   7.991 -11.706  16.053
  653    H4*    G  61           H4*        G  61   5.886 -11.178  15.248
  654    H3*    G  61           H3*        G  61   7.293 -12.772  13.100
  655    H2*    G  61           H2*        G  61   5.538 -12.407  11.620
  656   2HO*    G  61          2HO*        G  61   3.410 -11.911  12.377
  657    H1*    G  61           H1*        G  61   4.610  -9.948  12.705
  658    H8     G  61           H8         G  61   8.267  -9.977  11.640
  659    H1     G  61           H1         G  61   4.197  -8.796   6.845
  660   1H2     G  61          1H2         G  61   2.101  -9.090   7.535
  661   2H2     G  61          2H2         G  61   1.714  -9.587   9.167
  662   1H5*    G  62          1H5*        G  62   3.069 -13.824  13.456
  663   2H5*    G  62          2H5*        G  62   2.991 -15.591  13.608
  664    H4*    G  62           H4*        G  62   1.359 -14.712  11.967
  665    H3*    G  62           H3*        G  62   3.543 -16.560  11.032
  666    H2*    G  62           H2*        G  62   3.000 -16.248   8.802
  667   2HO*    G  62          2HO*        G  62   0.693 -16.811   9.473
  668    H1*    G  62           H1*        G  62   1.770 -13.693   8.995
  669    H8     G  62           H8         G  62   5.405 -14.209  10.158
  670    H1     G  62           H1         G  62   4.775 -12.393   4.051
  671   1H2     G  62          1H2         G  62   2.631 -12.381   3.477
  672   2H2     G  62          2H2         G  62   1.358 -12.819   4.597
  673   1H5*    G  63          1H5*        G  63   3.176 -20.707   9.750
  674   2H5*    G  63          2H5*        G  63   4.570 -19.727   9.254
  675    H4*    G  63           H4*        G  63   1.777 -19.760   8.094
  676    H3*    G  63           H3*        G  63   4.510 -20.483   7.104
  677    H2*    G  63           H2*        G  63   4.248 -19.387   5.047
  678   2HO*    G  63          2HO*        G  63   2.095 -20.290   4.715
  679    H1*    G  63           H1*        G  63   2.949 -17.155   5.865
  680    H8     G  63           H8         G  63   5.145 -17.534   8.768
  681    H1     G  63           H1         G  63   8.564 -16.109   3.548
  682   1H2     G  63          1H2         G  63   7.340 -16.374   1.741
  683   2H2     G  63          2H2         G  63   5.677 -16.910   1.800
  684   1H5*    A  64          1H5*        A  64   5.811 -24.077   6.440
  685   2H5*    A  64          2H5*        A  64   6.282 -22.432   5.964
  686    H4*    A  64           H4*        A  64   7.105 -24.598   4.630
  687    H3*    A  64           H3*        A  64   6.565 -21.812   3.713
  688    H2*    A  64           H2*        A  64   6.419 -22.345   1.441
  689   2HO*    A  64          2HO*        A  64   8.389 -23.539   1.404
  690    H1*    A  64           H1*        A  64   5.201 -24.778   1.552
  691    H8     A  64           H8         A  64   3.742 -22.526   4.243
  692   1H6     A  64          1H6         A  64  -0.153 -20.442  -0.051
  693   2H6     A  64          2H6         A  64   0.249 -20.451   1.651
  694    H2     A  64           H2         A  64   2.919 -22.989  -2.116
  695   1H5*    A  65          1H5*        A  65   9.803 -19.684   1.287
  696   2H5*    A  65          2H5*        A  65   8.324 -18.763   1.625
  697    H4*    A  65           H4*        A  65   9.003 -20.538  -0.658
  698    H3*    A  65           H3*        A  65   7.682 -17.920  -0.260
  699    H2*    A  65           H2*        A  65   5.774 -18.323  -1.499
  700   2HO*    A  65          2HO*        A  65   5.921 -20.172  -3.124
  701    H1*    A  65           H1*        A  65   5.495 -21.061  -1.334
  702    H8     A  65           H8         A  65   6.011 -20.334   2.197
  703   1H6     A  65          1H6         A  65   0.258 -18.117   2.487
  704   2H6     A  65          2H6         A  65   1.629 -18.685   3.413
  705    H2     A  65           H2         A  65   1.400 -18.426  -1.846
  706   1H5*    A  66          1H5*        A  66   7.875 -15.059  -3.710
  707   2H5*    A  66          2H5*        A  66   7.265 -14.677  -2.089
  708    H4*    A  66           H4*        A  66   5.820 -14.987  -4.658
  709    H3*    A  66           H3*        A  66   5.594 -13.294  -2.197
  710    H2*    A  66           H2*        A  66   3.253 -13.274  -2.208
  711   2HO*    A  66          2HO*        A  66   2.627 -12.762  -4.196
  712    H1*    A  66           H1*        A  66   2.739 -15.819  -3.000
  713    H8     A  66           H8         A  66   5.813 -15.589  -0.729
  714   1H6     A  66          1H6         A  66   1.935 -16.392   3.992
  715   2H6     A  66          2H6         A  66   3.618 -16.327   3.501
  716    H2     A  66           H2         A  66  -0.532 -15.848   0.251
  717   1H5*    C  67          1H5*        C  67   3.963 -10.782  -4.728
  718   2H5*    C  67          2H5*        C  67   4.221  -9.045  -4.472
  719    H4*    C  67           H4*        C  67   2.054  -9.921  -3.553
  720    H3*    C  67           H3*        C  67   4.068  -8.614  -1.713
  721    H2*    C  67           H2*        C  67   2.623  -8.963   0.118
  722   2HO*    C  67          2HO*        C  67   0.523  -9.809  -1.584
  723    H1*    C  67           H1*        C  67   1.716 -11.467  -0.599
  724   1H4     C  67          1H4         C  67   6.476 -12.443   3.537
  725   2H4     C  67          2H4         C  67   7.651 -12.210   2.263
  726    H5     C  67           H5         C  67   7.055 -11.582   0.019
  727    H6     C  67           H6         C  67   5.207 -11.013  -1.487
  728   1H5*    U  68          1H5*        U  68   0.887  -7.305  -0.695
  729   2H5*    U  68          2H5*        U  68   0.456  -5.583  -0.689
  730    H4*    U  68           H4*        U  68  -0.067  -6.370   1.477
  731    H3*    U  68           H3*        U  68   2.607  -4.950   1.490
  732    H2*    U  68           H2*        U  68   2.796  -5.383   3.798
  733   2HO*    U  68          2HO*        U  68   0.381  -6.474   4.367
  734    H1*    U  68           H1*        U  68   1.591  -7.897   3.787
  735    H3     U  68           H3         U  68   5.866  -8.679   5.095
  736    H5     U  68           H5         U  68   6.169  -7.906   0.962
  737    H6     U  68           H6         U  68   3.815  -7.327   0.963
  738   1H5*    U  69          1H5*        U  69   0.457  -4.109   4.415
  739   2H5*    U  69          2H5*        U  69  -0.010  -2.469   4.901
  740    H4*    U  69           H4*        U  69   0.727  -3.510   6.889
  741    H3*    U  69           H3*        U  69   2.944  -1.809   5.720
  742    H2*    U  69           H2*        U  69   4.341  -2.464   7.469
  743   2HO*    U  69          2HO*        U  69   2.169  -3.467   8.983
  744    H1*    U  69           H1*        U  69   3.233  -5.030   7.886
  745    H3     U  69           H3         U  69   7.526  -6.108   7.024
  746    H5     U  69           H5         U  69   6.219  -4.344   3.432
  747    H6     U  69           H6         U  69   4.117  -3.828   4.522
  748   1H5*    G  70          1H5*        G  70   2.838  -0.947   9.617
  749   2H5*    G  70          2H5*        G  70   3.164   0.754  10.005
  750    H4*    G  70           H4*        G  70   4.835  -0.677  11.041
  751    H3*    G  70           H3*        G  70   5.898   0.962   8.719
  752    H2*    G  70           H2*        G  70   8.010   0.051   9.141
  753   2HO*    G  70          2HO*        G  70   7.184   0.273  11.699
  754    H1*    G  70           H1*        G  70   7.073  -2.410  10.230
  755    H8     G  70           H8         G  70   6.057  -1.387   6.651
  756    H1     G  70           H1         G  70  11.467  -4.782   7.105
  757   1H2     G  70          1H2         G  70  11.997  -5.068   9.247
  758   2H2     G  70          2H2         G  70  11.017  -4.423  10.545
  759   1H5*    G  71          1H5*        G  71   7.751   2.181  12.958
  760   2H5*    G  71          2H5*        G  71   8.089   3.912  12.755
  761    H4*    G  71           H4*        G  71   9.970   2.790  13.835
  762    H3*    G  71           H3*        G  71  10.453   3.802  11.028
  763    H2*    G  71           H2*        G  71  12.665   2.980  11.111
  764   2HO*    G  71          2HO*        G  71  12.259   3.176  13.863
  765    H1*    G  71           H1*        G  71  12.131   0.605  12.355
  766    H8     G  71           H8         G  71   9.390   1.575   9.871
  767    H1     G  71           H1         G  71  14.418  -1.322   7.171
  768   1H2     G  71          1H2         G  71  16.034  -1.572   8.669
  769   2H2     G  71          2H2         G  71  15.884  -1.022  10.321
  770   1H5*    U  72          1H5*        U  72  13.637   5.138  13.251
  771   2H5*    U  72          2H5*        U  72  13.811   6.903  13.225
  772    H4*    U  72           H4*        U  72  15.973   6.039  12.786
  773    H3*    U  72           H3*        U  72  14.612   6.934  10.239
  774    H2*    U  72           H2*        U  72  16.457   6.213   8.979
  775   2HO*    U  72          2HO*        U  72  18.442   6.368   9.699
  776    H1*    U  72           H1*        U  72  17.120   3.980  10.498
  777    H3     U  72           H3         U  72  15.877   2.176   6.541
  778    H5     U  72           H5         U  72  12.262   3.580   8.193
  779    H6     U  72           H6         U  72  13.551   4.595   9.981
  780   1H5*    U  73          1H5*        U  73  18.518   8.527  10.066
  781   2H5*    U  73          2H5*        U  73  18.455  10.241   9.607
  782    H4*    U  73           H4*        U  73  19.979   9.062   8.133
  783    H3*    U  73           H3*        U  73  17.367   9.835   6.791
  784    H2*    U  73           H2*        U  73  18.277   9.009   4.764
  785   2HO*    U  73          2HO*        U  73  20.653   8.183   5.108
  786    H1*    U  73           H1*        U  73  19.439   6.765   5.858
  787    H3     U  73           H3         U  73  15.960   5.172   3.418
  788    H5     U  73           H5         U  73  14.125   6.930   6.782
  789    H6     U  73           H6         U  73  16.304   7.758   7.454
  790   1H5*    C  74          1H5*        C  74  20.427  10.770   4.580
  791   2H5*    C  74          2H5*        C  74  20.498  12.368   3.809
  792    H4*    C  74           H4*        C  74  20.867  10.678   2.127
  793    H3*    C  74           H3*        C  74  18.124  11.961   1.945
  794    H2*    C  74           H2*        C  74  17.704  10.633   0.033
  795   2HO*    C  74          2HO*        C  74  20.402  10.809  -0.236
  796    H1*    C  74           H1*        C  74  18.949   8.332   0.941
  797   1H4     C  74          1H4         C  74  12.792   7.331   2.144
  798   2H4     C  74          2H4         C  74  12.836   8.453   3.486
  799    H5     C  74           H5         C  74  14.777   9.763   4.044
  800    H6     C  74           H6         C  74  17.097  10.276   3.446
  801   1H5*    U  75          1H5*        U  75  19.983  12.604  -1.514
  802   2H5*    U  75          2H5*        U  75  19.754  14.063  -2.499
  803    H4*    U  75           H4*        U  75  18.876  12.128  -3.679
  804    H3*    U  75           H3*        U  75  16.795  14.062  -2.632
  805    H2*    U  75           H2*        U  75  15.097  12.710  -3.496
  806   2HO*    U  75          2HO*        U  75  16.152  10.881  -5.005
  807    H1*    U  75           H1*        U  75  16.419  10.233  -3.207
  808    H3     U  75           H3         U  75  12.729   9.559  -0.711
  809    H5     U  75           H5         U  75  14.929  12.388   1.504
  810    H6     U  75           H6         U  75  16.485  12.530  -0.356
  811   1H5*    U  76          1H5*        U  76  16.355  13.367  -6.877
  812   2H5*    U  76          2H5*        U  76  15.784  14.792  -7.770
  813    H4*    U  76           H4*        U  76  14.408  12.720  -8.119
  814    H3*    U  76           H3*        U  76  13.195  15.263  -7.064
  815    H2*    U  76           H2*        U  76  11.162  14.239  -6.614
  816   2HO*    U  76          2HO*        U  76  11.812  12.859  -8.900
  817    H1*    U  76           H1*        U  76  12.065  11.583  -6.240
  818    H3     U  76           H3         U  76   9.875  12.306  -2.356
  819    H5     U  76           H5         U  76  13.199  14.885  -2.139
  820    H6     U  76           H6         U  76  13.739  14.278  -4.423
  821   1H5*    C  77          1H5*        C  77   9.522  16.215 -10.446
  822   2H5*    C  77          2H5*        C  77   9.236  16.764  -8.781
  823    H4*    C  77           H4*        C  77   8.096  14.414 -10.250
  824    H3*    C  77           H3*        C  77   7.052  16.663  -8.568
  825    H2*    C  77           H2*        C  77   5.489  15.328  -7.451
  826   2HO*    C  77          2HO*        C  77   5.772  13.026  -8.963
  827    H1*    C  77           H1*        C  77   6.914  13.007  -7.214
  828   1H4     C  77          1H4         C  77   7.739  16.356  -1.819
  829   2H4     C  77          2H4         C  77   9.208  17.027  -2.487
  830    H5     C  77           H5         C  77   9.940  16.615  -4.745
  831    H6     C  77           H6         C  77   9.390  15.513  -6.864
  832   1H5*    C  78          1H5*        C  78   2.751  15.091 -10.348
  833   2H5*    C  78          2H5*        C  78   2.230  16.778 -10.527
  834    H4*    C  78           H4*        C  78   0.957  15.045  -8.934
  835    H3*    C  78           H3*        C  78   1.366  18.006  -8.646
  836    H2*    C  78           H2*        C  78   0.691  18.029  -6.433
  837   2HO*    C  78          2HO*        C  78  -0.620  15.996  -5.753
  838    H1*    C  78           H1*        C  78   1.268  15.339  -5.740
  839   1H4     C  78          1H4         C  78   5.362  18.884  -2.362
  840   2H4     C  78          2H4         C  78   6.405  18.993  -3.758
  841    H5     C  78           H5         C  78   5.805  18.148  -5.925
  842    H6     C  78           H6         C  78   4.080  17.002  -7.232
  843   1H5*    U  79          1H5*        U  79  -2.744  20.266  -8.927
  844   2H5*    U  79          2H5*        U  79  -1.535  21.368  -8.238
  845    H4*    U  79           H4*        U  79  -3.425  19.506  -6.886
  846    H3*    U  79           H3*        U  79  -2.348  22.271  -6.423
  847    H2*    U  79           H2*        U  79  -2.291  22.020  -4.121
  848   2HO*    U  79          2HO*        U  79  -4.424  21.506  -3.791
  849    H1*    U  79           H1*        U  79  -1.961  19.231  -3.948
  850    H3     U  79           H3         U  79   1.387  21.502  -1.688
  851    H5     U  79           H5         U  79   2.715  20.992  -5.656
  852    H6     U  79           H6         U  79   0.477  20.257  -6.239
  853   1H5*    A  80          1H5*        A  80  -5.891  24.855  -4.882
  854   2H5*    A  80          2H5*        A  80  -4.654  26.040  -5.348
  855    H4*    A  80           H4*        A  80  -5.124  24.699  -2.772
  856    H3*    A  80           H3*        A  80  -4.648  27.323  -3.577
  857    H2*    A  80           H2*        A  80  -2.332  27.233  -3.848
  858   2HO*    A  80          2HO*        A  80  -2.754  28.435  -1.852
  859    H1*    A  80           H1*        A  80  -1.923  25.170  -1.716
  860    H8     A  80           H8         A  80  -1.601  25.126  -5.590
  861   1H6     A  80          1H6         A  80   4.416  24.183  -4.558
  862   2H6     A  80          2H6         A  80   3.169  24.314  -5.779
  863    H2     A  80           H2         A  80   2.404  24.762  -0.579
  864   1H5*    A  81          1H5*        A  81  -7.805  27.225   0.747
  865   2H5*    A  81          2H5*        A  81  -7.551  28.942   1.118
  866    H4*    A  81           H4*        A  81  -7.438  27.475   3.128
  867    H3*    A  81           H3*        A  81  -5.060  29.125   2.303
  868    H2*    A  81           H2*        A  81  -3.689  28.165   3.927
  869   2HO*    A  81          2HO*        A  81  -5.291  26.737   5.491
  870    H1*    A  81           H1*        A  81  -4.796  25.609   4.004
  871    H8     A  81           H8         A  81  -4.345  26.070   0.402
  872   1H6     A  81          1H6         A  81   1.729  25.227   1.137
  873   2H6     A  81          2H6         A  81   0.417  25.311  -0.018
  874    H2     A  81           H2         A  81  -0.076  25.885   5.201
  875   1H5*    G  82          1H5*        G  82  -4.539  31.538   6.593
  876   2H5*    G  82          2H5*        G  82  -3.775  32.636   5.425
  877    H4*    G  82           H4*        G  82  -2.504  30.957   7.303
  878    H3*    G  82           H3*        G  82  -1.580  32.743   5.070
  879    H2*    G  82           H2*        G  82   0.501  31.703   4.926
  880   2HO*    G  82          2HO*        G  82   0.746  30.095   6.984
  881    H1*    G  82           H1*        G  82  -0.216  29.111   5.624
  882    H8     G  82           H8         G  82  -2.733  30.186   3.098
  883    H1     G  82           H1         G  82   2.918  28.808   0.426
  884   1H2     G  82          1H2         G  82   4.476  28.613   1.997
  885   2H2     G  82          2H2         G  82   4.129  28.833   3.698
  886   1H5*    U  83          1H5*        U  83   1.387  33.385   7.689
  887   2H5*    U  83          2H5*        U  83   1.660  35.084   8.125
  888    H4*    U  83           H4*        U  83   3.711  34.237   7.229
  889    H3*    U  83           H3*        U  83   2.209  36.087   5.391
  890    H2*    U  83           H2*        U  83   3.680  35.700   3.626
  891   2HO*    U  83          2HO*        U  83   5.784  34.585   4.184
  892    H1*    U  83           H1*        U  83   4.371  33.057   4.174
  893    H3     U  83           H3         U  83   2.364  32.659   0.151
  894    H5     U  83           H5         U  83  -0.801  33.609   2.766
  895    H6     U  83           H6         U  83   0.837  33.934   4.525
  896   1H5*    C  84          1H5*        C  84   6.265  36.903   5.439
  897   2H5*    C  84          2H5*        C  84   6.749  38.609   5.526
  898    H4*    C  84           H4*        C  84   7.874  37.495   3.666
  899    H3*    C  84           H3*        C  84   5.803  39.574   2.951
  900    H2*    C  84           H2*        C  84   6.101  39.152   0.672
  901   2HO*    C  84          2HO*        C  84   7.987  38.627  -0.173
  902    H1*    C  84           H1*        C  84   6.643  36.420   0.827
  903   1H4     C  84          1H4         C  84   0.624  36.740  -1.196
  904   2H4     C  84          2H4         C  84   0.086  37.301   0.372
  905    H5     C  84           H5         C  84   1.592  37.750   2.201
  906    H6     C  84           H6         C  84   3.938  37.777   2.913
  907   1H5*    C  85          1H5*        C  85   9.462  40.061   0.908
  908   2H5*    C  85          2H5*        C  85  10.174  41.679   1.074
  909    H4*    C  85           H4*        C  85  10.428  41.038  -1.212
  910    H3*    C  85           H3*        C  85   8.254  43.072  -0.747
  911    H2*    C  85           H2*        C  85   7.596  43.002  -2.999
  912   2HO*    C  85          2HO*        C  85   9.108  41.610  -4.434
  913    H1*    C  85           H1*        C  85   7.888  40.315  -3.446
  914   1H4     C  85          1H4         C  85   1.745  40.940  -1.902
  915   2H4     C  85          2H4         C  85   2.162  41.187  -0.222
  916    H5     C  85           H5         C  85   4.427  41.323   0.571
  917    H6     C  85           H6         C  85   6.791  41.242  -0.070
  918   1H5*    U  86          1H5*        U  86   9.793  43.699  -4.241
  919   2H5*    U  86          2H5*        U  86  10.243  45.371  -4.630
  920    H4*    U  86           H4*        U  86   8.681  44.370  -6.286
  921    H3*    U  86           H3*        U  86   7.799  46.769  -4.693
  922    H2*    U  86           H2*        U  86   5.647  46.594  -5.465
  923   2HO*    U  86          2HO*        U  86   5.958  45.239  -7.802
  924    H1*    U  86           H1*        U  86   5.886  43.872  -6.492
  925    H3     U  86           H3         U  86   1.671  43.875  -4.878
  926    H5     U  86           H5         U  86   4.092  44.236  -1.442
  927    H6     U  86           H6         U  86   6.008  44.497  -2.910
  928    H3T    U  86           H3T        U  86   9.171  46.236  -6.952
  929   1HO1  MN6 101          1HO1      MN6 101   3.365 -43.269  -0.779
  930   2HO1  MN6 101          2HO1      MN6 101   4.632 -43.693  -1.598
  931   1HO2  MN6 101          1HO2      MN6 101   2.835 -39.780  -4.247
  932   2HO2  MN6 101          2HO2      MN6 101   3.792 -39.121  -3.194
  933   1HO3  MN6 101          1HO3      MN6 101   3.412 -43.552  -4.266
  934   2HO3  MN6 101          2HO3      MN6 101   4.684 -42.744  -4.699
  935   1HO4  MN6 101          1HO4      MN6 101   4.233 -41.162  -0.361
  936   2HO4  MN6 101          2HO4      MN6 101   4.610 -39.894  -1.203
  937   1HO5  MN6 101          1HO5      MN6 101   6.156 -41.322  -2.129
  938   2HO5  MN6 101          2HO5      MN6 101   5.982 -42.665  -2.920
  939   1HO6  MN6 101          1HO6      MN6 101   1.368 -40.811  -2.541
  940   2HO6  MN6 101          2HO6      MN6 101   1.429 -42.324  -2.133
  941   1HO1  MN6 102          1HO1      MN6 102   5.263 -30.292  -7.184
  942   2HO1  MN6 102          2HO1      MN6 102   4.448 -28.990  -6.878
  943   1HO2  MN6 102          1HO2      MN6 102   5.743 -27.719 -11.496
  944   2HO2  MN6 102          2HO2      MN6 102   7.051 -28.528 -11.187
  945   1HO3  MN6 102          1HO3      MN6 102   4.478 -30.945  -9.738
  946   2HO3  MN6 102          2HO3      MN6 102   4.230 -29.989 -10.955
  947   1HO4  MN6 102          1HO4      MN6 102   6.947 -27.907  -7.375
  948   2HO4  MN6 102          2HO4      MN6 102   5.802 -26.863  -7.617
  949   1HO5  MN6 102          1HO5      MN6 102   6.859 -30.914  -9.096
  950   2HO5  MN6 102          2HO5      MN6 102   7.479 -29.932  -8.042
  951   1HO6  MN6 102          1HO6      MN6 102   3.577 -28.002 -10.442
  952   2HO6  MN6 102          2HO6      MN6 102   3.223 -28.037  -8.915
  953   1HO1  MN6 103          1HO1      MN6 103  -8.183 -16.020   1.260
  954   2HO1  MN6 103          2HO1      MN6 103  -7.756 -17.370   0.588
  955   1HO2  MN6 103          1HO2      MN6 103 -11.635 -17.139  -2.239
  956   2HO2  MN6 103          2HO2      MN6 103 -11.300 -15.641  -2.555
  957   1HO3  MN6 103          1HO3      MN6 103  -8.281 -14.390  -1.047
  958   2HO3  MN6 103          2HO3      MN6 103  -9.013 -14.663  -2.406
  959   1HO4  MN6 103          1HO4      MN6 103 -11.334 -17.704   0.614
  960   2HO4  MN6 103          2HO4      MN6 103  -9.883 -18.213   0.922
  961   1HO5  MN6 103          1HO5      MN6 103 -11.502 -15.390   0.833
  962   2HO5  MN6 103          2HO5      MN6 103 -10.490 -14.261   0.436
  963   1HO6  MN6 103          1HO6      MN6 103  -9.383 -17.362  -2.951
  964   2HO6  MN6 103          2HO6      MN6 103  -8.021 -16.819  -2.394
  965   1HO1  MN6 104          1HO1      MN6 104 -11.899  -0.596   1.341
  966   2HO1  MN6 104          2HO1      MN6 104 -12.666  -1.963   1.324
  967   1HO2  MN6 104          1HO2      MN6 104  -8.692  -4.478   1.949
  968   2HO2  MN6 104          2HO2      MN6 104  -8.014  -3.439   0.990
  969   1HO3  MN6 104          1HO3      MN6 104 -11.164  -3.929  -0.023
  970   2HO3  MN6 104          2HO3      MN6 104 -10.739  -4.854   1.168
  971   1HO4  MN6 104          1HO4      MN6 104  -9.635  -0.240   2.651
  972   2HO4  MN6 104          2HO4      MN6 104  -8.416  -1.191   2.909
  973   1HO5  MN6 104          1HO5      MN6 104 -10.126  -3.873   3.950
  974   2HO5  MN6 104          2HO5      MN6 104 -11.521  -4.095   3.271
  975   1HO6  MN6 104          1HO6      MN6 104  -9.379  -2.456  -0.492
  976   2HO6  MN6 104          2HO6      MN6 104 -10.576  -1.451  -0.369
  977   1HO1  MN6 105          1HO1      MN6 105 -14.706  12.969   7.882
  978   2HO1  MN6 105          2HO1      MN6 105 -14.623  11.481   8.369
  979   1HO2  MN6 105          1HO2      MN6 105 -10.855  11.144   5.517
  980   2HO2  MN6 105          2HO2      MN6 105 -10.377  12.600   5.849
  981   1HO3  MN6 105          1HO3      MN6 105 -14.360  12.181   5.748
  982   2HO3  MN6 105          2HO3      MN6 105 -13.065  12.252   4.868
  983   1HO4  MN6 105          1HO4      MN6 105 -11.885  11.509   9.623
  984   2HO4  MN6 105          2HO4      MN6 105 -10.541  11.474   8.815
  985   1HO5  MN6 105          1HO5      MN6 105 -12.254   9.577   6.685
  986   2HO5  MN6 105          2HO5      MN6 105 -13.635   9.844   7.378
  987   1HO6  MN6 105          1HO6      MN6 105 -13.185  14.314   6.864
  988   2HO6  MN6 105          2HO6      MN6 105 -11.845  14.414   7.671
  989   1HO1  MN6 106          1HO1      MN6 106  -2.319  42.578  -0.104
  990   2HO1  MN6 106          2HO1      MN6 106  -2.758  43.409  -1.359
  991   1HO2  MN6 106          1HO2      MN6 106  -1.832  38.731  -2.927
  992   2HO2  MN6 106          2HO2      MN6 106  -2.463  39.580  -4.083
  993   1HO3  MN6 106          1HO3      MN6 106  -1.858  43.004  -3.890
  994   2HO3  MN6 106          2HO3      MN6 106  -0.398  42.809  -3.351
  995   1HO4  MN6 106          1HO4      MN6 106  -2.395  39.322  -0.618
  996   2HO4  MN6 106          2HO4      MN6 106  -3.725  39.748  -1.334
  997   1HO5  MN6 106          1HO5      MN6 106  -4.434  41.403  -2.529
  998   2HO5  MN6 106          2HO5      MN6 106  -3.776  41.290  -3.947
  999   1HO6  MN6 106          1HO6      MN6 106   0.154  39.940  -1.690
 1000   2HO6  MN6 106          2HO6      MN6 106  -0.061  41.062  -0.616
 1001   1HO1  MN6 107          1HO1      MN6 107   0.257  30.847  -8.011
 1002   2HO1  MN6 107          2HO1      MN6 107   0.923  29.608  -8.703
 1003   1HO2  MN6 107          1HO2      MN6 107  -3.626  28.191  -9.883
 1004   2HO2  MN6 107          2HO2      MN6 107  -4.059  29.685  -9.684
 1005   1HO3  MN6 107          1HO3      MN6 107  -3.121  31.226  -8.106
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.088  29.963  -7.178
 1007   1HO4  MN6 107          1HO4      MN6 107  -0.024  27.760  -9.839
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.362  27.547 -10.627
 1009   1HO5  MN6 107          1HO5      MN6 107  -2.222  27.182  -8.242
 1010   2HO5  MN6 107          2HO5      MN6 107  -1.093  27.781  -7.333
 1011   1HO6  MN6 107          1HO6      MN6 107  -2.040  31.770  -9.912
 1012   2HO6  MN6 107          2HO6      MN6 107  -0.513  31.460 -10.088
 1013   1HO1  MN6 108          1HO1      MN6 108  10.163  14.904   5.791
 1014   2HO1  MN6 108          2HO1      MN6 108  10.722  14.572   4.365
 1015   1HO2  MN6 108          1HO2      MN6 108   6.520  17.363   3.777
 1016   2HO2  MN6 108          2HO2      MN6 108   7.710  18.338   3.475
 1017   1HO3  MN6 108          1HO3      MN6 108   8.484  15.986   6.585
 1018   2HO3  MN6 108          2HO3      MN6 108   7.728  17.271   6.100
 1019   1HO4  MN6 108          1HO4      MN6 108   9.548  16.318   1.792
 1020   2HO4  MN6 108          2HO4      MN6 108   9.820  14.859   2.296
 1021   1HO5  MN6 108          1HO5      MN6 108   6.767  14.553   4.875
 1022   2HO5  MN6 108          2HO5      MN6 108   7.588  13.770   3.793
 1023   1HO6  MN6 108          1HO6      MN6 108  10.540  17.168   5.151
 1024   2HO6  MN6 108          2HO6      MN6 108  10.496  17.621   3.650
 1025   1HO1  MN6 109          1HO1      MN6 109  10.413   3.880   4.897
 1026   2HO1  MN6 109          2HO1      MN6 109  10.252   4.297   3.394
 1027   1HO2  MN6 109          1HO2      MN6 109   8.624  -0.149   2.361
 1028   2HO2  MN6 109          2HO2      MN6 109   9.894  -0.589   3.169
 1029   1HO3  MN6 109          1HO3      MN6 109   7.003   1.410   3.860
 1030   2HO3  MN6 109          2HO3      MN6 109   7.477   2.238   5.105
 1031   1HO4  MN6 109          1HO4      MN6 109  11.863   1.973   4.177
 1032   2HO4  MN6 109          2HO4      MN6 109  11.723   1.783   2.627
 1033   1HO5  MN6 109          1HO5      MN6 109   9.710   2.233   6.151
 1034   2HO5  MN6 109          2HO5      MN6 109  10.368   0.849   5.820
 1035   1HO6  MN6 109          1HO6      MN6 109   9.417   3.255   1.649
 1036   2HO6  MN6 109          2HO6      MN6 109   9.479   1.756   1.195
 1037   1HO1  MN6 110          1HO1      MN6 110   8.336 -14.786   7.525
 1038   2HO1  MN6 110          2HO1      MN6 110   8.734 -15.131   9.002
 1039   1HO2  MN6 110          1HO2      MN6 110  10.739 -10.839   9.281
 1040   2HO2  MN6 110          2HO2      MN6 110   9.757 -10.231   8.221
 1041   1HO3  MN6 110          1HO3      MN6 110  10.656 -14.157   9.847
 1042   2HO3  MN6 110          2HO3      MN6 110  10.869 -12.718  10.432
 1043   1HO4  MN6 110          1HO4      MN6 110   8.046 -11.153   6.973
 1044   2HO4  MN6 110          2HO4      MN6 110   6.973 -11.446   8.077
 1045   1HO5  MN6 110          1HO5      MN6 110   8.244 -12.129  11.082
 1046   2HO5  MN6 110          2HO5      MN6 110   7.293 -13.206  10.459
 1047   1HO6  MN6 110          1HO6      MN6 110  10.056 -13.545   6.697
 1048   2HO6  MN6 110          2HO6      MN6 110  10.748 -12.174   7.008
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   5.841 -45.559  -1.302
    2   2H5*    G   1          2H5*        G   1   6.419 -44.016  -1.963
    3    H4*    G   1           H4*        G   1   5.874 -45.480  -3.800
    4    H3*    G   1           H3*        G   1   4.057 -43.137  -3.358
    5    H2*    G   1           H2*        G   1   2.468 -43.870  -4.906
    6   2HO*    G   1          2HO*        G   1   4.685 -45.077  -6.057
    7    H1*    G   1           H1*        G   1   2.600 -46.577  -4.493
    8    H8     G   1           H8         G   1   2.766 -45.197  -1.048
    9    H1     G   1           H1         G   1  -3.109 -44.672  -3.542
   10   1H2     G   1          1H2         G   1  -3.050 -45.100  -5.718
   11   2H2     G   1          2H2         G   1  -1.570 -45.509  -6.556
   12    H5T    G   1           H5T        G   1   4.327 -44.510  -0.345
   13   1H5*    G   2          1H5*        G   2   3.965 -43.703  -7.356
   14   2H5*    G   2          2H5*        G   2   4.280 -42.197  -8.243
   15    H4*    G   2           H4*        G   2   2.116 -43.318  -8.841
   16    H3*    G   2           H3*        G   2   2.131 -40.504  -7.743
   17    H2*    G   2           H2*        G   2  -0.197 -40.436  -7.750
   18   2HO*    G   2          2HO*        G   2  -1.407 -41.411  -9.246
   19    H1*    G   2           H1*        G   2  -0.689 -43.188  -7.351
   20    H8     G   2           H8         G   2   1.620 -41.845  -4.695
   21    H1     G   2           H1         G   2  -4.539 -40.515  -3.583
   22   1H2     G   2          1H2         G   2  -5.757 -40.983  -5.377
   23   2H2     G   2          2H2         G   2  -5.056 -41.629  -6.844
   24   1H5*    G   3          1H5*        G   3  -0.156 -40.051 -10.537
   25   2H5*    G   3          2H5*        G   3   0.232 -39.025 -11.933
   26    H4*    G   3           H4*        G   3  -1.807 -38.150 -11.268
   27    H3*    G   3           H3*        G   3   0.373 -36.584  -9.885
   28    H2*    G   3           H2*        G   3  -1.186 -35.425  -8.598
   29   2HO*    G   3          2HO*        G   3  -3.344 -36.201 -10.255
   30    H1*    G   3           H1*        G   3  -3.185 -37.410  -8.472
   31    H8     G   3           H8         G   3   0.454 -38.213  -7.441
   32    H1     G   3           H1         G   3  -3.389 -36.374  -2.661
   33   1H2     G   3          1H2         G   3  -5.354 -35.757  -3.470
   34   2H2     G   3          2H2         G   3  -5.723 -35.789  -5.179
   35   1H5*    A   4          1H5*        A   4  -3.057 -34.521 -11.434
   36   2H5*    A   4          2H5*        A   4  -2.628 -33.106 -12.416
   37    H4*    A   4           H4*        A   4  -4.537 -32.589 -10.996
   38    H3*    A   4           H3*        A   4  -1.946 -31.186 -10.393
   39    H2*    A   4           H2*        A   4  -2.784 -30.226  -8.442
   40   2HO*    A   4          2HO*        A   4  -5.462 -30.801  -8.774
   41    H1*    A   4           H1*        A   4  -4.585 -32.218  -7.680
   42    H8     A   4           H8         A   4  -0.967 -33.201  -8.629
   43   1H6     A   4          1H6         A   4   0.203 -32.898  -2.573
   44   2H6     A   4          2H6         A   4   0.848 -33.314  -4.145
   45    H2     A   4           H2         A   4  -4.013 -31.481  -3.239
   46   1H5*    U   5          1H5*        U   5  -4.841 -28.571  -9.612
   47   2H5*    U   5          2H5*        U   5  -4.589 -26.957 -10.309
   48    H4*    U   5           H4*        U   5  -4.896 -26.841  -7.873
   49    H3*    U   5           H3*        U   5  -2.223 -26.057  -9.016
   50    H2*    U   5           H2*        U   5  -1.266 -25.853  -6.913
   51   2HO*    U   5          2HO*        U   5  -2.372 -25.148  -5.151
   52    H1*    U   5           H1*        U   5  -2.938 -27.643  -5.484
   53    H3     U   5           H3         U   5   1.028 -29.501  -4.489
   54    H5     U   5           H5         U   5   0.833 -29.830  -8.687
   55    H6     U   5           H6         U   5  -1.239 -28.568  -8.622
   56   1H5*    A   6          1H5*        A   6  -5.106 -22.064  -7.485
   57   2H5*    A   6          2H5*        A   6  -4.184 -20.967  -6.437
   58    H4*    A   6           H4*        A   6  -5.977 -23.251  -5.717
   59    H3*    A   6           H3*        A   6  -6.262 -20.569  -5.331
   60    H2*    A   6           H2*        A   6  -4.461 -20.108  -3.914
   61   2HO*    A   6          2HO*        A   6  -5.192 -19.983  -1.880
   62    H1*    A   6           H1*        A   6  -4.457 -22.665  -2.420
   63    H8     A   6           H8         A   6  -2.231 -21.396  -5.345
   64   1H6     A   6          1H6         A   6   2.264 -21.138  -1.109
   65   2H6     A   6          2H6         A   6   1.878 -20.928  -2.801
   66    H2     A   6           H2         A   6  -1.532 -22.329   0.970
   67   1H5*    U   7          1H5*        U   7  -6.902 -23.366  -2.006
   68   2H5*    U   7          2H5*        U   7  -8.582 -23.347  -1.431
   69    H4*    U   7           H4*        U   7  -7.956 -22.970   0.789
   70    H3*    U   7           H3*        U   7  -5.492 -21.729  -0.344
   71    H2*    U   7           H2*        U   7  -4.026 -22.690   1.192
   72   2HO*    U   7          2HO*        U   7  -6.337 -22.914   2.801
   73    H1*    U   7           H1*        U   7  -5.156 -25.147   1.527
   74    H3     U   7           H3         U   7  -4.393 -25.763  -3.459
   75    H5     U   7           H5         U   7  -1.067 -24.747  -1.082
   76    H6     U   7           H6         U   7  -2.592 -24.234   0.727
   77   1H5*    G   8          1H5*        G   8  -3.270 -21.785   3.414
   78   2H5*    G   8          2H5*        G   8  -3.981 -20.251   3.958
   79    H4*    G   8           H4*        G   8  -1.445 -20.352   3.942
   80    H3*    G   8           H3*        G   8  -3.040 -18.207   2.582
   81    H2*    G   8           H2*        G   8  -1.189 -17.312   1.481
   82   2HO*    G   8          2HO*        G   8   0.004 -17.616   3.693
   83    H1*    G   8           H1*        G   8   0.262 -19.603   1.009
   84    H8     G   8           H8         G   8  -3.454 -20.086   0.306
   85    H1     G   8           H1         G   8  -0.227 -17.502  -4.579
   86   1H2     G   8          1H2         G   8   1.827 -16.978  -3.950
   87   2H2     G   8          2H2         G   8   2.414 -17.261  -2.326
   88   1H5*    G   9          1H5*        G   9  -2.091 -13.912   3.694
   89   2H5*    G   9          2H5*        G   9  -3.210 -14.310   2.375
   90    H4*    G   9           H4*        G   9  -0.322 -13.539   2.279
   91    H3*    G   9           H3*        G   9  -2.835 -12.826   0.797
   92    H2*    G   9           H2*        G   9  -1.741 -12.654  -1.261
   93   2HO*    G   9          2HO*        G   9   0.509 -12.362  -1.421
   94    H1*    G   9           H1*        G   9   0.122 -14.658  -0.984
   95    H8     G   9           H8         G   9  -2.813 -16.391   0.335
   96    H1     G   9           H1         G   9  -3.519 -15.256  -5.926
   97   1H2     G   9          1H2         G   9  -1.983 -13.808  -6.611
   98   2H2     G   9          2H2         G   9  -0.800 -13.106  -5.533
   99   1H5*    A  10          1H5*        A  10  -0.559  -9.039   0.340
  100   2H5*    A  10          2H5*        A  10  -1.627  -7.708   0.827
  101    H4*    A  10           H4*        A  10  -0.737  -7.503  -1.505
  102    H3*    A  10           H3*        A  10  -3.690  -7.588  -0.951
  103    H2*    A  10           H2*        A  10  -4.243  -7.763  -3.193
  104   2HO*    A  10          2HO*        A  10  -2.193  -7.146  -4.659
  105    H1*    A  10           H1*        A  10  -1.904  -8.992  -4.170
  106    H8     A  10           H8         A  10  -3.358 -10.997  -1.336
  107   1H6     A  10          1H6         A  10  -7.144 -13.579  -5.464
  108   2H6     A  10          2H6         A  10  -6.545 -13.640  -3.825
  109    H2     A  10           H2         A  10  -5.080 -10.120  -7.464
  110   1H5*    A  11          1H5*        A  11  -1.991  -4.397  -3.768
  111   2H5*    A  11          2H5*        A  11  -2.955  -2.910  -3.664
  112    H4*    A  11           H4*        A  11  -2.410  -3.650  -6.005
  113    H3*    A  11           H3*        A  11  -5.238  -3.232  -5.076
  114    H2*    A  11           H2*        A  11  -6.142  -4.073  -7.070
  115   2HO*    A  11          2HO*        A  11  -5.193  -3.817  -8.951
  116    H1*    A  11           H1*        A  11  -4.367  -6.100  -7.552
  117    H8     A  11           H8         A  11  -5.141  -5.870  -3.829
  118   1H6     A  11          1H6         A  11  -9.966  -9.548  -5.006
  119   2H6     A  11          2H6         A  11  -8.995  -8.809  -3.752
  120    H2     A  11           H2         A  11  -8.211  -8.260  -8.937
  121   1H5*    G  12          1H5*        G  12  -5.250  -0.844  -8.572
  122   2H5*    G  12          2H5*        G  12  -6.077   0.703  -8.297
  123    H4*    G  12           H4*        G  12  -7.207  -0.649 -10.021
  124    H3*    G  12           H3*        G  12  -8.703  -0.140  -7.442
  125    H2*    G  12           H2*        G  12 -10.523  -1.404  -8.238
  126   2HO*    G  12          2HO*        G  12  -9.553  -1.707 -10.840
  127    H1*    G  12           H1*        G  12  -9.083  -3.333  -9.606
  128    H8     G  12           H8         G  12  -7.542  -2.641  -6.203
  129    H1     G  12           H1         G  12 -12.589  -6.570  -5.976
  130   1H2     G  12          1H2         G  12 -13.604  -6.617  -7.949
  131   2H2     G  12          2H2         G  12 -13.042  -5.681  -9.315
  132   1H5*    A  13          1H5*        A  13 -11.271   0.269  -9.928
  133   2H5*    A  13          2H5*        A  13 -11.882   1.881 -10.351
  134    H4*    A  13           H4*        A  13 -13.876   0.778 -10.165
  135    H3*    A  13           H3*        A  13 -13.218   1.725  -7.377
  136    H2*    A  13           H2*        A  13 -15.006   0.517  -6.482
  137   2HO*    A  13          2HO*        A  13 -16.585  -0.400  -8.175
  138    H1*    A  13           H1*        A  13 -14.988  -1.643  -8.242
  139    H8     A  13           H8         A  13 -11.663  -0.527  -6.609
  140   1H6     A  13          1H6         A  13 -12.888  -4.852  -2.372
  141   2H6     A  13          2H6         A  13 -11.706  -3.701  -2.950
  142    H2     A  13           H2         A  13 -16.449  -4.533  -5.098
  143   1H5*    A  14          1H5*        A  14 -17.467   1.889  -8.608
  144   2H5*    A  14          2H5*        A  14 -17.997   3.567  -8.380
  145    H4*    A  14           H4*        A  14 -19.801   2.178  -7.675
  146    H3*    A  14           H3*        A  14 -18.261   3.377  -5.372
  147    H2*    A  14           H2*        A  14 -19.596   2.210  -3.816
  148   2HO*    A  14          2HO*        A  14 -21.560   2.719  -5.201
  149    H1*    A  14           H1*        A  14 -19.738  -0.177  -5.135
  150    H8     A  14           H8         A  14 -16.391   1.746  -5.355
  151   1H6     A  14          1H6         A  14 -14.645  -1.703  -0.539
  152   2H6     A  14          2H6         A  14 -14.128  -0.539  -1.737
  153    H2     A  14           H2         A  14 -18.994  -2.528  -1.332
  154   1H5*    C  15          1H5*        C  15 -22.183   4.192  -4.149
  155   2H5*    C  15          2H5*        C  15 -22.286   5.866  -3.572
  156    H4*    C  15           H4*        C  15 -22.954   4.314  -1.810
  157    H3*    C  15           H3*        C  15 -20.345   5.776  -1.358
  158    H2*    C  15           H2*        C  15 -20.030   4.627   0.652
  159   2HO*    C  15          2HO*        C  15 -22.848   4.330   0.602
  160    H1*    C  15           H1*        C  15 -21.357   2.238  -0.050
  161   1H4     C  15          1H4         C  15 -15.211   0.619   0.004
  162   2H4     C  15          2H4         C  15 -14.914   1.578  -1.428
  163    H5     C  15           H5         C  15 -16.597   2.929  -2.486
  164    H6     C  15           H6         C  15 -18.921   3.702  -2.379
  165   1H5*    C  16          1H5*        C  16 -22.298   5.716   1.935
  166   2H5*    C  16          2H5*        C  16 -22.494   7.202   2.885
  167    H4*    C  16           H4*        C  16 -21.508   5.556   4.320
  168    H3*    C  16           H3*        C  16 -19.546   7.648   3.366
  169    H2*    C  16           H2*        C  16 -17.793   6.545   4.424
  170   2HO*    C  16          2HO*        C  16 -18.467   4.869   6.118
  171    H1*    C  16           H1*        C  16 -18.872   3.922   4.347
  172   1H4     C  16          1H4         C  16 -13.850   3.673   0.478
  173   2H4     C  16          2H4         C  16 -14.567   4.837  -0.613
  174    H5     C  16           H5         C  16 -16.706   5.884  -0.210
  175    H6     C  16           H6         C  16 -18.577   6.090   1.363
  176   1H5*    G  17          1H5*        G  17 -20.242   7.256   8.165
  177   2H5*    G  17          2H5*        G  17 -19.877   8.897   8.731
  178    H4*    G  17           H4*        G  17 -18.921   7.164  10.212
  179    H3*    G  17           H3*        G  17 -17.011   8.976   8.727
  180    H2*    G  17           H2*        G  17 -15.171   7.852   9.679
  181   2HO*    G  17          2HO*        G  17 -17.007   7.300  11.668
  182    H1*    G  17           H1*        G  17 -16.172   5.296   9.531
  183    H8     G  17           H8         G  17 -17.146   7.132   6.391
  184    H1     G  17           H1         G  17 -11.072   5.126   6.321
  185   1H2     G  17          1H2         G  17 -10.489   4.398   8.342
  186   2H2     G  17          2H2         G  17 -11.592   4.416   9.700
  187   1H5*    G  18          1H5*        G  18 -15.158   8.310  12.054
  188   2H5*    G  18          2H5*        G  18 -15.031   9.791  13.024
  189    H4*    G  18           H4*        G  18 -12.861   8.819  13.009
  190    H3*    G  18           H3*        G  18 -13.061  11.131  11.069
  191    H2*    G  18           H2*        G  18 -10.873  10.753  10.362
  192   2HO*    G  18          2HO*        G  18 -10.567   9.925  12.987
  193    H1*    G  18           H1*        G  18 -10.782   7.966  10.855
  194    H8     G  18           H8         G  18 -13.659   9.030   8.611
  195    H1     G  18           H1         G  18  -8.102   8.343   5.510
  196   1H2     G  18          1H2         G  18  -6.452   8.041   6.963
  197   2H2     G  18          2H2         G  18  -6.718   8.014   8.692
  198   1H5*    G  19          1H5*        G  19  -9.364  11.199  12.431
  199   2H5*    G  19          2H5*        G  19  -9.204  12.543  13.579
  200    H4*    G  19           H4*        G  19  -7.245  12.790  12.400
  201    H3*    G  19           H3*        G  19  -9.316  14.383  10.877
  202    H2*    G  19           H2*        G  19  -7.765  14.826   9.192
  203   2HO*    G  19          2HO*        G  19  -5.614  14.006  10.851
  204    H1*    G  19           H1*        G  19  -6.277  12.448   9.394
  205    H8     G  19           H8         G  19 -10.121  12.330   9.046
  206    H1     G  19           H1         G  19  -6.908  12.091   3.515
  207   1H2     G  19          1H2         G  19  -4.738  12.379   3.883
  208   2H2     G  19          2H2         G  19  -4.083  12.626   5.486
  209   1H5*    G  20          1H5*        G  20  -6.619  18.152  11.571
  210   2H5*    G  20          2H5*        G  20  -7.361  16.724  10.821
  211    H4*    G  20           H4*        G  20  -4.599  17.575   9.987
  212    H3*    G  20           H3*        G  20  -7.165  18.959   9.195
  213    H2*    G  20           H2*        G  20  -6.487  18.985   6.937
  214   2HO*    G  20          2HO*        G  20  -3.935  17.941   7.418
  215    H1*    G  20           H1*        G  20  -5.423  16.475   6.821
  216    H8     G  20           H8         G  20  -8.592  17.051   8.973
  217    H1     G  20           H1         G  20  -9.733  15.209   2.957
  218   1H2     G  20          1H2         G  20  -7.839  15.066   1.831
  219   2H2     G  20          2H2         G  20  -6.286  15.425   2.551
  220   1H5*    A  21          1H5*        A  21  -6.853  23.347   8.192
  221   2H5*    A  21          2H5*        A  21  -8.386  22.514   8.516
  222    H4*    A  21           H4*        A  21  -8.994  23.112   6.445
  223    H3*    A  21           H3*        A  21  -7.245  20.790   6.000
  224    H2*    A  21           H2*        A  21  -6.344  21.380   3.972
  225   2HO*    A  21          2HO*        A  21  -8.879  22.557   3.559
  226    H1*    A  21           H1*        A  21  -6.685  24.140   3.891
  227    H8     A  21           H8         A  21  -4.959  23.560   7.100
  228   1H6     A  21          1H6         A  21   0.323  22.969   3.976
  229   2H6     A  21          2H6         A  21  -0.401  23.200   5.551
  230    H2     A  21           H2         A  21  -3.056  22.790   1.014
  231   1H5*    A  22          1H5*        A  22 -10.082  18.034   2.006
  232   2H5*    A  22          2H5*        A  22  -8.681  17.892   3.087
  233    H4*    A  22           H4*        A  22  -9.177  20.126   1.089
  234    H3*    A  22           H3*        A  22  -7.606  17.593   0.910
  235    H2*    A  22           H2*        A  22  -5.606  18.612   0.304
  236   2HO*    A  22          2HO*        A  22  -5.882  21.024  -0.374
  237    H1*    A  22           H1*        A  22  -5.815  21.028   1.621
  238    H8     A  22           H8         A  22  -6.649  19.221   4.525
  239   1H6     A  22          1H6         A  22  -0.993  16.758   4.769
  240   2H6     A  22          2H6         A  22  -2.465  17.074   5.659
  241    H2     A  22           H2         A  22  -1.609  18.395   0.626
  242   1H5*    A  23          1H5*        A  23  -7.645  16.679  -4.186
  243   2H5*    A  23          2H5*        A  23  -7.526  15.247  -3.144
  244    H4*    A  23           H4*        A  23  -5.532  16.313  -4.815
  245    H3*    A  23           H3*        A  23  -5.684  14.104  -2.810
  246    H2*    A  23           H2*        A  23  -3.394  14.107  -2.313
  247   2HO*    A  23          2HO*        A  23  -2.897  14.232  -4.678
  248    H1*    A  23           H1*        A  23  -2.876  16.756  -2.341
  249    H8     A  23           H8         A  23  -6.385  16.325  -0.990
  250   1H6     A  23          1H6         A  23  -3.820  15.336   4.532
  251   2H6     A  23          2H6         A  23  -5.320  15.641   3.677
  252    H2     A  23           H2         A  23  -0.522  15.350   1.453
  253   1H5*    C  24          1H5*        C  24  -3.219  12.307  -4.621
  254   2H5*    C  24          2H5*        C  24  -3.406  10.546  -4.747
  255    H4*    C  24           H4*        C  24  -1.873  11.316  -2.907
  256    H3*    C  24           H3*        C  24  -4.298   9.622  -2.301
  257    H2*    C  24           H2*        C  24  -3.830   9.710  -0.003
  258   2HO*    C  24          2HO*        C  24  -1.794  10.248   0.807
  259    H1*    C  24           H1*        C  24  -2.857  12.306   0.111
  260   1H4     C  24          1H4         C  24  -8.895  12.532   2.159
  261   2H4     C  24          2H4         C  24  -9.473  12.521   0.507
  262    H5     C  24           H5         C  24  -8.009  12.318  -1.402
  263    H6     C  24           H6         C  24  -5.689  12.011  -2.129
  264   1H5*    U  25          1H5*        U  25  -1.739   8.357   0.004
  265   2H5*    U  25          2H5*        U  25  -1.269   6.648  -0.042
  266    H4*    U  25           H4*        U  25  -1.841   7.186   2.222
  267    H3*    U  25           H3*        U  25  -3.959   5.564   0.802
  268    H2*    U  25           H2*        U  25  -5.349   5.687   2.670
  269   2HO*    U  25          2HO*        U  25  -4.567   5.927   4.756
  270    H1*    U  25           H1*        U  25  -4.410   8.156   3.699
  271    H3     U  25           H3         U  25  -8.865   8.852   3.317
  272    H5     U  25           H5         U  25  -7.507   8.690  -0.672
  273    H6     U  25           H6         U  25  -5.320   8.056   0.167
  274   1H5*    U  26          1H5*        U  26  -3.074   4.432   4.413
  275   2H5*    U  26          2H5*        U  26  -2.478   2.808   4.808
  276    H4*    U  26           H4*        U  26  -4.002   3.204   6.520
  277    H3*    U  26           H3*        U  26  -5.444   1.750   4.296
  278    H2*    U  26           H2*        U  26  -7.464   1.941   5.449
  279   2HO*    U  26          2HO*        U  26  -7.509   1.553   7.508
  280    H1*    U  26           H1*        U  26  -6.973   4.389   6.728
  281    H3     U  26           H3         U  26 -10.532   5.632   4.274
  282    H5     U  26           H5         U  26  -7.711   4.488   1.365
  283    H6     U  26           H6         U  26  -6.239   3.785   3.159
  284   1H5*    G  27          1H5*        G  27  -6.477  -0.014   7.923
  285   2H5*    G  27          2H5*        G  27  -6.953  -1.717   7.776
  286    H4*    G  27           H4*        G  27  -8.780  -0.167   8.551
  287    H3*    G  27           H3*        G  27  -9.163  -1.759   6.000
  288    H2*    G  27           H2*        G  27 -11.281  -0.803   5.770
  289   2HO*    G  27          2HO*        G  27 -12.318  -1.182   7.611
  290    H1*    G  27           H1*        G  27 -10.697   1.639   7.105
  291    H8     G  27           H8         G  27  -8.550   0.664   4.065
  292    H1     G  27           H1         G  27 -13.850   3.973   2.676
  293   1H2     G  27          1H2         G  27 -15.101   4.193   4.497
  294   2H2     G  27          2H2         G  27 -14.626   3.527   6.045
  295   1H5*    G  28          1H5*        G  28 -12.130  -3.624   9.198
  296   2H5*    G  28          2H5*        G  28 -12.342  -5.302   8.660
  297    H4*    G  28           H4*        G  28 -14.494  -4.100   8.982
  298    H3*    G  28           H3*        G  28 -13.791  -5.083   6.209
  299    H2*    G  28           H2*        G  28 -15.803  -4.196   5.380
  300   2HO*    G  28          2HO*        G  28 -17.208  -5.032   6.928
  301    H1*    G  28           H1*        G  28 -15.889  -1.908   6.931
  302    H8     G  28           H8         G  28 -12.420  -2.646   5.521
  303    H1     G  28           H1         G  28 -16.274   0.378   1.403
  304   1H2     G  28          1H2         G  28 -18.329   0.502   2.240
  305   2H2     G  28          2H2         G  28 -18.758  -0.187   3.788
  306   1H5*    U  29          1H5*        U  29 -17.713  -7.184   6.810
  307   2H5*    U  29          2H5*        U  29 -17.348  -8.868   6.383
  308    H4*    U  29           H4*        U  29 -19.251  -8.135   5.088
  309    H3*    U  29           H3*        U  29 -16.693  -8.432   3.508
  310    H2*    U  29           H2*        U  29 -17.750  -7.654   1.575
  311   2HO*    U  29          2HO*        U  29 -20.081  -8.597   2.848
  312    H1*    U  29           H1*        U  29 -19.553  -5.880   2.774
  313    H3     U  29           H3         U  29 -17.040  -3.191   0.127
  314    H5     U  29           H5         U  29 -14.418  -4.318   3.231
  315    H6     U  29           H6         U  29 -16.128  -5.846   4.030
  316   1H5*    U  30          1H5*        U  30 -20.055  -9.963   1.505
  317   2H5*    U  30          2H5*        U  30 -19.801 -11.624   0.932
  318    H4*    U  30           H4*        U  30 -20.805 -10.332  -0.845
  319    H3*    U  30           H3*        U  30 -17.896 -11.027  -1.270
  320    H2*    U  30           H2*        U  30 -17.874  -9.836  -3.290
  321   2HO*    U  30          2HO*        U  30 -20.595  -9.328  -3.458
  322    H1*    U  30           H1*        U  30 -19.597  -7.780  -2.566
  323    H3     U  30           H3         U  30 -15.741  -5.513  -3.114
  324    H5     U  30           H5         U  30 -15.024  -7.876   0.303
  325    H6     U  30           H6         U  30 -17.168  -8.947  -0.073
  326   1H5*    C  31          1H5*        C  31 -19.773 -11.427  -4.859
  327   2H5*    C  31          2H5*        C  31 -19.255 -12.874  -5.745
  328    H4*    C  31           H4*        C  31 -18.884 -10.793  -7.032
  329    H3*    C  31           H3*        C  31 -16.443 -12.379  -6.198
  330    H2*    C  31           H2*        C  31 -15.070 -10.786  -7.200
  331   2HO*    C  31          2HO*        C  31 -17.013  -9.443  -8.655
  332    H1*    C  31           H1*        C  31 -16.808  -8.556  -6.897
  333   1H4     C  31          1H4         C  31 -11.898  -7.279  -3.077
  334   2H4     C  31          2H4         C  31 -12.362  -8.568  -1.989
  335    H5     C  31           H5         C  31 -14.197 -10.069  -2.426
  336    H6     C  31           H6         C  31 -15.977 -10.660  -4.003
  337   1H5*    U  32          1H5*        U  32 -16.485 -11.777 -10.791
  338   2H5*    U  32          2H5*        U  32 -15.967 -13.357 -11.415
  339    H4*    U  32           H4*        U  32 -14.732 -11.530 -12.493
  340    H3*    U  32           H3*        U  32 -13.205 -13.436 -10.730
  341    H2*    U  32           H2*        U  32 -11.222 -12.213 -10.985
  342   2HO*    U  32          2HO*        U  32 -10.837 -10.852 -12.686
  343    H1*    U  32           H1*        U  32 -12.282  -9.671 -10.991
  344    H3     U  32           H3         U  32 -10.137  -9.675  -7.027
  345    H5     U  32           H5         U  32 -13.349 -12.330  -6.416
  346    H6     U  32           H6         U  32 -13.892 -12.109  -8.771
  347   1H5*    U  33          1H5*        U  33 -11.248 -12.506 -14.400
  348   2H5*    U  33          2H5*        U  33 -10.288 -13.829 -15.093
  349    H4*    U  33           H4*        U  33  -9.021 -11.684 -14.738
  350    H3*    U  33           H3*        U  33  -8.124 -14.251 -13.430
  351    H2*    U  33           H2*        U  33  -6.439 -13.150 -12.261
  352   2HO*    U  33          2HO*        U  33  -6.289 -11.743 -14.568
  353    H1*    U  33           H1*        U  33  -7.649 -10.603 -12.073
  354    H3     U  33           H3         U  33  -6.933 -11.505  -7.716
  355    H5     U  33           H5         U  33  -9.779 -14.391  -8.876
  356    H6     U  33           H6         U  33  -9.550 -13.607 -11.160
  357   1H5*    C  34          1H5*        C  34  -3.330 -14.706 -15.066
  358   2H5*    C  34          2H5*        C  34  -3.839 -15.504 -13.563
  359    H4*    C  34           H4*        C  34  -2.406 -12.874 -13.930
  360    H3*    C  34           H3*        C  34  -1.834 -15.457 -12.516
  361    H2*    C  34           H2*        C  34  -0.993 -14.404 -10.613
  362   2HO*    C  34          2HO*        C  34  -0.038 -12.691 -12.423
  363    H1*    C  34           H1*        C  34  -2.582 -12.142 -10.571
  364   1H4     C  34          1H4         C  34  -4.962 -16.342  -6.349
  365   2H4     C  34          2H4         C  34  -6.162 -16.782  -7.545
  366    H5     C  34           H5         C  34  -6.130 -15.965  -9.811
  367    H6     C  34           H6         C  34  -4.934 -14.562 -11.427
  368   1H5*    C  35          1H5*        C  35   3.110 -16.409 -12.582
  369   2H5*    C  35          2H5*        C  35   1.849 -17.178 -11.597
  370    H4*    C  35           H4*        C  35   3.901 -15.119 -10.790
  371    H3*    C  35           H3*        C  35   3.264 -17.926 -10.022
  372    H2*    C  35           H2*        C  35   3.242 -17.558  -7.733
  373   2HO*    C  35          2HO*        C  35   5.117 -16.670  -7.232
  374    H1*    C  35           H1*        C  35   2.391 -14.934  -7.598
  375   1H4     C  35          1H4         C  35  -2.690 -18.616  -6.315
  376   2H4     C  35          2H4         C  35  -3.170 -18.456  -7.989
  377    H5     C  35           H5         C  35  -1.800 -17.407  -9.660
  378    H6     C  35           H6         C  35   0.326 -16.274 -10.098
  379   1H5*    U  36          1H5*        U  36   7.984 -20.459  -9.267
  380   2H5*    U  36          2H5*        U  36   6.219 -20.643  -9.329
  381    H4*    U  36           H4*        U  36   7.838 -19.538  -7.009
  382    H3*    U  36           H3*        U  36   6.543 -22.204  -7.523
  383    H2*    U  36           H2*        U  36   5.572 -22.268  -5.415
  384   2HO*    U  36          2HO*        U  36   7.847 -20.794  -4.718
  385    H1*    U  36           H1*        U  36   5.369 -19.494  -4.925
  386    H3     U  36           H3         U  36   1.212 -21.335  -4.378
  387    H5     U  36           H5         U  36   1.670 -20.780  -8.533
  388    H6     U  36           H6         U  36   4.001 -20.232  -8.132
  389   1H5*    A  37          1H5*        A  37   9.725 -24.827  -3.778
  390   2H5*    A  37          2H5*        A  37   8.733 -25.738  -4.935
  391    H4*    A  37           H4*        A  37   8.194 -25.005  -2.117
  392    H3*    A  37           H3*        A  37   8.259 -27.397  -3.487
  393    H2*    A  37           H2*        A  37   6.302 -27.217  -4.749
  394   2HO*    A  37          2HO*        A  37   5.804 -28.289  -2.292
  395    H1*    A  37           H1*        A  37   4.775 -25.640  -2.732
  396    H8     A  37           H8         A  37   6.342 -25.206  -6.287
  397   1H6     A  37          1H6         A  37   0.674 -23.408  -7.960
  398   2H6     A  37          2H6         A  37   2.311 -23.697  -8.507
  399    H2     A  37           H2         A  37   0.579 -24.369  -3.571
  400   1H5*    A  38          1H5*        A  38   9.088 -27.370   1.531
  401   2H5*    A  38          2H5*        A  38   9.056 -29.085   1.991
  402    H4*    A  38           H4*        A  38   8.006 -27.878   3.762
  403    H3*    A  38           H3*        A  38   6.127 -29.411   1.998
  404    H2*    A  38           H2*        A  38   4.220 -28.425   2.881
  405   2HO*    A  38          2HO*        A  38   4.921 -27.148   5.072
  406    H1*    A  38           H1*        A  38   5.235 -25.933   3.615
  407    H8     A  38           H8         A  38   6.313 -26.393   0.094
  408   1H6     A  38          1H6         A  38   0.604 -24.810  -1.655
  409   2H6     A  38          2H6         A  38   2.249 -25.081  -2.186
  410    H2     A  38           H2         A  38   0.533 -25.571   2.777
  411   1H5*    G  39          1H5*        G  39   3.646 -31.457   5.814
  412   2H5*    G  39          2H5*        G  39   2.833 -32.135   4.391
  413    H4*    G  39           H4*        G  39   2.066 -29.899   6.072
  414    H3*    G  39           H3*        G  39   0.761 -31.642   4.020
  415    H2*    G  39           H2*        G  39  -0.691 -29.993   3.244
  416   2HO*    G  39          2HO*        G  39  -1.006 -29.434   5.703
  417    H1*    G  39           H1*        G  39   0.875 -27.760   3.478
  418    H8     G  39           H8         G  39   3.268 -30.268   2.155
  419    H1     G  39           H1         G  39  -0.903 -28.380  -2.321
  420   1H2     G  39          1H2         G  39  -2.571 -27.261  -1.382
  421   2H2     G  39          2H2         G  39  -2.662 -26.980   0.343
  422   1H5*    U  40          1H5*        U  40  -3.042 -30.300   6.074
  423   2H5*    U  40          2H5*        U  40  -3.746 -31.891   6.431
  424    H4*    U  40           H4*        U  40  -5.260 -30.413   5.114
  425    H3*    U  40           H3*        U  40  -4.346 -33.054   3.994
  426    H2*    U  40           H2*        U  40  -5.365 -32.646   1.926
  427   2HO*    U  40          2HO*        U  40  -6.801 -30.460   3.045
  428    H1*    U  40           H1*        U  40  -4.929 -29.928   1.741
  429    H3     U  40           H3         U  40  -2.356 -31.693  -1.556
  430    H5     U  40           H5         U  40  -0.212 -32.489   1.983
  431    H6     U  40           H6         U  40  -2.116 -31.665   3.244
  432   1H5*    C  41          1H5*        C  41  -8.474 -32.771   3.516
  433   2H5*    C  41          2H5*        C  41  -9.430 -34.220   3.889
  434    H4*    C  41           H4*        C  41  -9.893 -33.451   1.616
  435    H3*    C  41           H3*        C  41  -8.414 -36.074   1.881
  436    H2*    C  41           H2*        C  41  -8.283 -36.267  -0.454
  437   2HO*    C  41          2HO*        C  41  -9.653 -35.212  -1.847
  438    H1*    C  41           H1*        C  41  -7.925 -33.583  -1.050
  439   1H4     C  41          1H4         C  41  -2.103 -36.146  -1.325
  440   2H4     C  41          2H4         C  41  -2.025 -36.229   0.421
  441    H5     C  41           H5         C  41  -3.855 -35.607   1.856
  442    H6     C  41           H6         C  41  -6.163 -34.780   1.930
  443   1H5*    C  42          1H5*        C  42 -11.521 -36.779  -0.965
  444   2H5*    C  42          2H5*        C  42 -12.485 -38.156  -0.394
  445    H4*    C  42           H4*        C  42 -11.937 -38.510  -2.717
  446    H3*    C  42           H3*        C  42 -10.483 -40.283  -0.760
  447    H2*    C  42           H2*        C  42  -9.191 -41.238  -2.464
  448   2HO*    C  42          2HO*        C  42 -10.691 -40.083  -4.545
  449    H1*    C  42           H1*        C  42  -8.880 -39.013  -4.073
  450   1H4     C  42          1H4         C  42  -3.448 -39.297  -0.773
  451   2H4     C  42          2H4         C  42  -4.261 -38.727   0.666
  452    H5     C  42           H5         C  42  -6.628 -38.343   0.779
  453    H6     C  42           H6         C  42  -8.742 -38.412  -0.461
  454   1H5*    U  43          1H5*        U  43 -11.313 -42.269  -4.212
  455   2H5*    U  43          2H5*        U  43 -11.879 -43.935  -3.987
  456    H4*    U  43           H4*        U  43  -9.844 -43.705  -5.448
  457    H3*    U  43           H3*        U  43  -9.759 -45.368  -2.936
  458    H2*    U  43           H2*        U  43  -7.495 -45.705  -3.144
  459   2HO*    U  43          2HO*        U  43  -6.634 -46.331  -4.980
  460    H1*    U  43           H1*        U  43  -6.964 -43.491  -4.928
  461    H3     U  43           H3         U  43  -3.498 -43.070  -2.095
  462    H5     U  43           H5         U  43  -6.869 -42.407   0.352
  463    H6     U  43           H6         U  43  -8.270 -42.995  -1.541
  464    H3T    U  43           H3T        U  43 -10.962 -46.073  -4.751
  465   1H5*    G  44          1H5*        G  44  -8.565  42.197  -1.883
  466   2H5*    G  44          2H5*        G  44  -8.890  40.541  -2.433
  467    H4*    G  44           H4*        G  44  -8.508  41.600  -4.448
  468    H3*    G  44           H3*        G  44  -5.931  40.428  -3.460
  469    H2*    G  44           H2*        G  44  -4.627  41.556  -5.043
  470   2HO*    G  44          2HO*        G  44  -6.693  41.103  -6.606
  471    H1*    G  44           H1*        G  44  -5.953  43.946  -5.143
  472    H8     G  44           H8         G  44  -6.051  43.260  -1.524
  473    H1     G  44           H1         G  44  -0.094  44.625  -3.446
  474   1H2     G  44          1H2         G  44   0.011  44.589  -5.665
  475   2H2     G  44          2H2         G  44  -1.375  44.225  -6.667
  476    H5T    G  44           H5T        G  44  -6.762  40.004  -1.934
  477   1H5*    G  45          1H5*        G  45  -5.210  40.025  -7.380
  478   2H5*    G  45          2H5*        G  45  -5.031  38.303  -7.772
  479    H4*    G  45           H4*        G  45  -3.102  39.601  -8.561
  480    H3*    G  45           H3*        G  45  -2.652  37.576  -6.374
  481    H2*    G  45           H2*        G  45  -0.437  38.230  -6.099
  482   2HO*    G  45          2HO*        G  45   0.786  39.118  -7.743
  483    H1*    G  45           H1*        G  45  -0.670  40.924  -6.877
  484    H8     G  45           H8         G  45  -3.194  40.126  -4.199
  485    H1     G  45           H1         G  45   2.694  41.128  -1.884
  486   1H2     G  45          1H2         G  45   4.160  41.181  -3.554
  487   2H2     G  45          2H2         G  45   3.689  40.973  -5.225
  488   1H5*    G  46          1H5*        G  46   0.211  36.952  -9.290
  489   2H5*    G  46          2H5*        G  46   0.477  35.272  -9.803
  490    H4*    G  46           H4*        G  46   2.582  36.322  -9.114
  491    H3*    G  46           H3*        G  46   1.523  34.087  -7.382
  492    H2*    G  46           H2*        G  46   3.265  34.369  -5.857
  493   2HO*    G  46          2HO*        G  46   4.714  34.599  -7.968
  494    H1*    G  46           H1*        G  46   3.656  37.132  -6.178
  495    H8     G  46           H8         G  46   0.026  36.167  -5.546
  496    H1     G  46           H1         G  46   3.528  36.756  -0.220
  497   1H2     G  46          1H2         G  46   5.675  36.972  -0.751
  498   2H2     G  46          2H2         G  46   6.239  36.971  -2.405
  499   1H5*    A  47          1H5*        A  47   5.797  33.020  -8.513
  500   2H5*    A  47          2H5*        A  47   5.782  31.271  -8.815
  501    H4*    A  47           H4*        A  47   7.537  31.990  -7.194
  502    H3*    A  47           H3*        A  47   5.386  30.057  -6.331
  503    H2*    A  47           H2*        A  47   6.204  30.032  -4.140
  504   2HO*    A  47          2HO*        A  47   8.518  31.395  -4.305
  505    H1*    A  47           H1*        A  47   7.091  32.669  -3.990
  506    H8     A  47           H8         A  47   3.583  32.205  -5.465
  507   1H6     A  47          1H6         A  47   1.512  32.717   0.327
  508   2H6     A  47          2H6         A  47   1.062  32.614  -1.359
  509    H2     A  47           H2         A  47   6.006  32.551   0.476
  510   1H5*    U  48          1H5*        U  48   8.753  28.010  -4.775
  511   2H5*    U  48          2H5*        U  48   8.510  26.289  -5.136
  512    H4*    U  48           H4*        U  48   8.639  26.820  -2.689
  513    H3*    U  48           H3*        U  48   6.211  25.488  -3.870
  514    H2*    U  48           H2*        U  48   5.037  25.625  -1.867
  515   2HO*    U  48          2HO*        U  48   7.321  24.888  -0.852
  516    H1*    U  48           H1*        U  48   6.238  27.934  -0.797
  517    H3     U  48           H3         U  48   1.917  29.202  -0.916
  518    H5     U  48           H5         U  48   2.963  28.859  -4.984
  519    H6     U  48           H6         U  48   5.113  27.975  -4.289
  520   1H5*    A  49          1H5*        A  49   8.614  21.410  -1.286
  521   2H5*    A  49          2H5*        A  49   7.059  20.586  -1.046
  522    H4*    A  49           H4*        A  49   8.646  22.255   0.906
  523    H3*    A  49           H3*        A  49   8.471  19.516   0.668
  524    H2*    A  49           H2*        A  49   6.214  19.196   1.182
  525   2HO*    A  49          2HO*        A  49   6.947  18.183   2.946
  526    H1*    A  49           H1*        A  49   6.043  21.444   3.137
  527    H8     A  49           H8         A  49   4.650  20.939  -0.464
  528   1H6     A  49          1H6         A  49  -0.905  21.122   2.254
  529   2H6     A  49          2H6         A  49  -0.057  21.025   0.727
  530    H2     A  49           H2         A  49   2.221  21.337   5.472
  531   1H5*    U  50          1H5*        U  50  10.216  19.069   6.286
  532   2H5*    U  50          2H5*        U  50   9.510  17.613   5.556
  533    H4*    U  50           H4*        U  50   8.635  18.043   7.828
  534    H3*    U  50           H3*        U  50   7.069  17.349   5.644
  535    H2*    U  50           H2*        U  50   6.122  19.453   5.214
  536   2HO*    U  50          2HO*        U  50   4.128  19.130   5.791
  537    H1*    U  50           H1*        U  50   6.035  20.180   8.128
  538    H3     U  50           H3         U  50   7.963  24.461   6.788
  539    H5     U  50           H5         U  50   4.571  23.392   4.523
  540    H6     U  50           H6         U  50   4.746  21.148   5.438
  541   1H5*    G  51          1H5*        G  51   2.945  18.078   7.348
  542   2H5*    G  51          2H5*        G  51   2.885  16.452   8.060
  543    H4*    G  51           H4*        G  51   0.872  16.626   6.858
  544    H3*    G  51           H3*        G  51   2.962  15.126   5.298
  545    H2*    G  51           H2*        G  51   1.648  15.062   3.384
  546   2HO*    G  51          2HO*        G  51  -0.368  14.914   5.229
  547    H1*    G  51           H1*        G  51   0.263  17.462   3.694
  548    H8     G  51           H8         G  51   3.808  18.390   4.173
  549    H1     G  51           H1         G  51   2.522  17.051  -1.950
  550   1H2     G  51          1H2         G  51   0.559  16.017  -2.102
  551   2H2     G  51          2H2         G  51  -0.426  15.667  -0.702
  552   1H5*    G  52          1H5*        G  52   3.186  11.155   4.153
  553   2H5*    G  52          2H5*        G  52   3.177  12.928   4.231
  554    H4*    G  52           H4*        G  52   0.640  11.768   3.295
  555    H3*    G  52           H3*        G  52   3.186  11.023   1.914
  556    H2*    G  52           H2*        G  52   2.528  11.851  -0.163
  557   2HO*    G  52          2HO*        G  52  -0.092  11.519   0.854
  558    H1*    G  52           H1*        G  52   1.054  14.025   0.598
  559    H8     G  52           H8         G  52   3.813  14.551   2.887
  560    H1     G  52           H1         G  52   5.755  15.318  -3.169
  561   1H2     G  52          1H2         G  52   4.268  14.439  -4.553
  562   2H2     G  52          2H2         G  52   2.803  13.664  -3.999
  563   1H5*    A  53          1H5*        A  53   0.423   8.254   0.022
  564   2H5*    A  53          2H5*        A  53   1.012   6.582   0.094
  565    H4*    A  53           H4*        A  53   0.696   7.350  -2.227
  566    H3*    A  53           H3*        A  53   3.438   6.609  -1.262
  567    H2*    A  53           H2*        A  53   4.501   7.431  -3.156
  568   2HO*    A  53          2HO*        A  53   3.247   7.740  -5.150
  569    H1*    A  53           H1*        A  53   2.705   9.446  -3.896
  570    H8     A  53           H8         A  53   3.631   9.800  -0.255
  571   1H6     A  53          1H6         A  53   8.617  12.914  -2.144
  572   2H6     A  53          2H6         A  53   7.646  12.452  -0.763
  573    H2     A  53           H2         A  53   6.687  11.066  -5.758
  574   1H5*    A  54          1H5*        A  54   3.052   4.529  -4.893
  575   2H5*    A  54          2H5*        A  54   3.732   2.890  -4.857
  576    H4*    A  54           H4*        A  54   4.846   4.327  -6.530
  577    H3*    A  54           H3*        A  54   6.522   3.405  -4.179
  578    H2*    A  54           H2*        A  54   8.369   4.518  -5.111
  579   2HO*    A  54          2HO*        A  54   8.593   4.080  -7.168
  580    H1*    A  54           H1*        A  54   6.966   6.673  -6.209
  581    H8     A  54           H8         A  54   6.036   5.932  -2.578
  582   1H6     A  54          1H6         A  54  10.788   9.550  -1.023
  583   2H6     A  54          2H6         A  54   9.406   8.658  -0.430
  584    H2     A  54           H2         A  54  10.932   8.922  -5.470
  585   1H5*    G  55          1H5*        G  55   8.484   1.601  -7.877
  586   2H5*    G  55          2H5*        G  55   9.241   0.085  -7.349
  587    H4*    G  55           H4*        G  55  10.821   1.707  -8.425
  588    H3*    G  55           H3*        G  55  11.291   0.826  -5.566
  589    H2*    G  55           H2*        G  55  13.239   2.165  -5.488
  590   2HO*    G  55          2HO*        G  55  13.987   3.164  -7.533
  591    H1*    G  55           H1*        G  55  12.254   4.303  -6.913
  592    H8     G  55           H8         G  55   9.677   2.904  -4.462
  593    H1     G  55           H1         G  55  13.846   6.995  -1.851
  594   1H2     G  55          1H2         G  55  15.479   7.436  -3.298
  595   2H2     G  55          2H2         G  55  15.532   6.724  -4.895
  596   1H5*    A  56          1H5*        A  56  14.630   0.551  -6.957
  597   2H5*    A  56          2H5*        A  56  15.531  -0.977  -6.918
  598    H4*    A  56           H4*        A  56  16.953   0.555  -5.850
  599    H3*    A  56           H3*        A  56  15.392  -0.987  -3.766
  600    H2*    A  56           H2*        A  56  16.374   0.290  -2.080
  601   2HO*    A  56          2HO*        A  56  18.520  -0.137  -2.666
  602    H1*    A  56           H1*        A  56  16.852   2.631  -3.629
  603    H8     A  56           H8         A  56  13.222   1.447  -3.438
  604   1H6     A  56          1H6         A  56  12.738   5.084   1.533
  605   2H6     A  56          2H6         A  56  11.864   4.096   0.385
  606    H2     A  56           H2         A  56  17.079   4.899   0.364
  607   1H5*    A  57          1H5*        A  57  19.949  -1.695  -3.293
  608   2H5*    A  57          2H5*        A  57  20.156  -3.345  -2.672
  609    H4*    A  57           H4*        A  57  21.438  -1.707  -1.356
  610    H3*    A  57           H3*        A  57  19.162  -3.144   0.012
  611    H2*    A  57           H2*        A  57  19.551  -1.946   1.994
  612   2HO*    A  57          2HO*        A  57  21.804  -0.562   1.418
  613    H1*    A  57           H1*        A  57  20.224   0.488   0.863
  614    H8     A  57           H8         A  57  17.229  -1.313  -0.739
  615   1H6     A  57          1H6         A  57  13.732   1.768   3.306
  616   2H6     A  57          2H6         A  57  13.731   0.701   1.921
  617    H2     A  57           H2         A  57  18.042   2.574   4.317
  618   1H5*    C  58          1H5*        C  58  22.300  -3.770   2.893
  619   2H5*    C  58          2H5*        C  58  22.194  -5.477   3.364
  620    H4*    C  58           H4*        C  58  21.983  -4.007   5.313
  621    H3*    C  58           H3*        C  58  19.465  -5.517   4.553
  622    H2*    C  58           H2*        C  58  18.399  -4.561   6.414
  623   2HO*    C  58          2HO*        C  58  19.476  -3.858   8.208
  624    H1*    C  58           H1*        C  58  19.785  -2.108   6.372
  625   1H4     C  58          1H4         C  58  13.914  -0.767   4.315
  626   2H4     C  58          2H4         C  58  14.214  -1.605   2.809
  627    H5     C  58           H5         C  58  16.272  -2.765   2.329
  628    H6     C  58           H6         C  58  18.464  -3.417   3.211
  629   1H5*    C  59          1H5*        C  59  20.114  -5.938   8.586
  630   2H5*    C  59          2H5*        C  59  19.700  -7.549   9.210
  631    H4*    C  59           H4*        C  59  18.449  -5.741  10.350
  632    H3*    C  59           H3*        C  59  16.879  -7.739   8.707
  633    H2*    C  59           H2*        C  59  14.897  -6.609   9.203
  634   2HO*    C  59          2HO*        C  59  16.310  -5.681  11.481
  635    H1*    C  59           H1*        C  59  15.996  -4.020   9.477
  636   1H4     C  59          1H4         C  59  12.644  -3.729   4.091
  637   2H4     C  59          2H4         C  59  13.776  -4.789   3.280
  638    H5     C  59           H5         C  59  15.657  -5.816   4.394
  639    H6     C  59           H6         C  59  16.833  -6.069   6.533
  640   1H5*    G  60          1H5*        G  60  15.793  -7.608  13.392
  641   2H5*    G  60          2H5*        G  60  15.506  -9.326  13.727
  642    H4*    G  60           H4*        G  60  13.844  -7.991  14.883
  643    H3*    G  60           H3*        G  60  12.824  -9.606  12.544
  644    H2*    G  60           H2*        G  60  10.657  -8.733  12.843
  645   2HO*    G  60          2HO*        G  60  11.292  -7.389  15.227
  646    H1*    G  60           H1*        G  60  11.356  -6.146  13.419
  647    H8     G  60           H8         G  60  13.667  -7.475  10.742
  648    H1     G  60           H1         G  60   7.992  -5.574   8.479
  649   1H2     G  60          1H2         G  60   6.601  -5.169  10.155
  650   2H2     G  60          2H2         G  60   7.068  -5.364  11.830
  651   1H5*    G  61          1H5*        G  61   9.801  -9.704  14.781
  652   2H5*    G  61          2H5*        G  61   9.604 -11.288  15.555
  653    H4*    G  61           H4*        G  61   7.445 -10.814  14.834
  654    H3*    G  61           H3*        G  61   8.815 -12.450  12.694
  655    H2*    G  61           H2*        G  61   6.989 -12.192  11.278
  656   2HO*    G  61          2HO*        G  61   5.521 -11.898  13.683
  657    H1*    G  61           H1*        G  61   6.028  -9.725  12.317
  658    H8     G  61           H8         G  61   9.613  -9.542  11.113
  659    H1     G  61           H1         G  61   5.317  -8.938   6.411
  660   1H2     G  61          1H2         G  61   3.285  -9.417   7.173
  661   2H2     G  61          2H2         G  61   2.993  -9.889   8.832
  662   1H5*    G  62          1H5*        G  62   4.820 -13.576  13.276
  663   2H5*    G  62          2H5*        G  62   4.644 -15.327  13.517
  664    H4*    G  62           H4*        G  62   3.010 -14.512  11.891
  665    H3*    G  62           H3*        G  62   5.176 -16.348  10.889
  666    H2*    G  62           H2*        G  62   4.556 -16.047   8.680
  667   2HO*    G  62          2HO*        G  62   2.416 -15.570   8.074
  668    H1*    G  62           H1*        G  62   3.308 -13.505   8.912
  669    H8     G  62           H8         G  62   6.992 -13.930   9.938
  670    H1     G  62           H1         G  62   6.092 -12.331   3.807
  671   1H2     G  62          1H2         G  62   3.927 -12.374   3.321
  672   2H2     G  62          2H2         G  62   2.709 -12.791   4.504
  673   1H5*    G  63          1H5*        G  63   5.265 -20.498  10.064
  674   2H5*    G  63          2H5*        G  63   6.476 -19.331   9.494
  675    H4*    G  63           H4*        G  63   3.635 -19.694   8.495
  676    H3*    G  63           H3*        G  63   6.329 -20.382   7.407
  677    H2*    G  63           H2*        G  63   5.992 -19.374   5.328
  678   2HO*    G  63          2HO*        G  63   3.525 -18.616   5.118
  679    H1*    G  63           H1*        G  63   4.555 -17.179   6.047
  680    H8     G  63           H8         G  63   6.882 -17.241   8.874
  681    H1     G  63           H1         G  63   9.978 -15.856   3.449
  682   1H2     G  63          1H2         G  63   8.694 -16.286   1.706
  683   2H2     G  63          2H2         G  63   7.073 -16.924   1.867
  684   1H5*    A  64          1H5*        A  64   7.608 -24.120   6.886
  685   2H5*    A  64          2H5*        A  64   8.154 -22.476   6.505
  686    H4*    A  64           H4*        A  64   8.997 -24.530   5.089
  687    H3*    A  64           H3*        A  64   8.322 -21.764   4.202
  688    H2*    A  64           H2*        A  64   8.159 -22.284   1.932
  689   2HO*    A  64          2HO*        A  64   9.439 -24.784   2.370
  690    H1*    A  64           H1*        A  64   7.098 -24.797   2.039
  691    H8     A  64           H8         A  64   5.545 -22.527   4.694
  692   1H6     A  64          1H6         A  64   1.457 -20.904   0.363
  693   2H6     A  64          2H6         A  64   1.887 -20.781   2.053
  694    H2     A  64           H2         A  64   4.633 -23.395  -1.609
  695   1H5*    A  65          1H5*        A  65  11.512 -19.608   1.646
  696   2H5*    A  65          2H5*        A  65  10.132 -18.618   2.163
  697    H4*    A  65           H4*        A  65  10.529 -20.177  -0.296
  698    H3*    A  65           H3*        A  65   8.904 -17.798   0.562
  699    H2*    A  65           H2*        A  65   7.179 -18.255  -0.947
  700   2HO*    A  65          2HO*        A  65   7.852 -18.704  -2.888
  701    H1*    A  65           H1*        A  65   7.168 -20.992  -0.843
  702    H8     A  65           H8         A  65   7.546 -20.338   2.725
  703   1H6     A  65          1H6         A  65   1.650 -18.521   2.945
  704   2H6     A  65          2H6         A  65   3.044 -19.003   3.888
  705    H2     A  65           H2         A  65   2.892 -18.670  -1.373
  706   1H5*    A  66          1H5*        A  66   9.197 -16.005  -4.657
  707   2H5*    A  66          2H5*        A  66   9.099 -14.664  -3.498
  708    H4*    A  66           H4*        A  66   7.129 -15.420  -5.297
  709    H3*    A  66           H3*        A  66   7.135 -13.683  -2.841
  710    H2*    A  66           H2*        A  66   4.784 -13.671  -2.724
  711   2HO*    A  66          2HO*        A  66   4.810 -14.689  -5.388
  712    H1*    A  66           H1*        A  66   4.305 -16.268  -3.392
  713    H8     A  66           H8         A  66   7.450 -15.773  -1.247
  714   1H6     A  66          1H6         A  66   3.761 -16.567   3.635
  715   2H6     A  66          2H6         A  66   5.423 -16.427   3.095
  716    H2     A  66           H2         A  66   1.165 -16.344  -0.046
  717   1H5*    C  67          1H5*        C  67   4.901 -11.674  -5.044
  718   2H5*    C  67          2H5*        C  67   4.902  -9.898  -5.045
  719    H4*    C  67           H4*        C  67   2.945 -10.870  -3.859
  720    H3*    C  67           H3*        C  67   4.914  -9.196  -2.286
  721    H2*    C  67           H2*        C  67   3.639  -9.522  -0.335
  722   2HO*    C  67          2HO*        C  67   1.518  -9.831  -0.352
  723    H1*    C  67           H1*        C  67   2.891 -12.151  -0.813
  724   1H4     C  67          1H4         C  67   7.797 -12.541   3.219
  725   2H4     C  67          2H4         C  67   8.924 -12.194   1.926
  726    H5     C  67           H5         C  67   8.232 -11.665  -0.319
  727    H6     C  67           H6         C  67   6.310 -11.335  -1.805
  728   1H5*    U  68          1H5*        U  68   1.408  -8.092  -1.105
  729   2H5*    U  68          2H5*        U  68   1.076  -6.349  -1.058
  730    H4*    U  68           H4*        U  68   0.664  -7.390   1.126
  731    H3*    U  68           H3*        U  68   2.975  -5.452   0.948
  732    H2*    U  68           H2*        U  68   3.499  -5.833   3.194
  733   2HO*    U  68          2HO*        U  68   1.176  -7.208   3.870
  734    H1*    U  68           H1*        U  68   2.624  -8.509   3.347
  735    H3     U  68           H3         U  68   6.989  -8.679   4.574
  736    H5     U  68           H5         U  68   7.096  -8.058   0.407
  737    H6     U  68           H6         U  68   4.688  -7.760   0.454
  738   1H5*    U  69          1H5*        U  69   1.022  -4.938   4.042
  739   2H5*    U  69          2H5*        U  69   0.205  -3.423   4.474
  740    H4*    U  69           H4*        U  69   1.307  -3.981   6.446
  741    H3*    U  69           H3*        U  69   3.150  -2.168   4.867
  742    H2*    U  69           H2*        U  69   4.753  -2.393   6.546
  743   2HO*    U  69          2HO*        U  69   2.507  -2.756   8.167
  744    H1*    U  69           H1*        U  69   4.037  -5.004   7.379
  745    H3     U  69           H3         U  69   8.368  -5.669   6.330
  746    H5     U  69           H5         U  69   6.655  -4.486   2.669
  747    H6     U  69           H6         U  69   4.572  -4.091   3.843
  748   1H5*    G  70          1H5*        G  70   2.963  -0.999   8.766
  749   2H5*    G  70          2H5*        G  70   3.217   0.731   9.066
  750    H4*    G  70           H4*        G  70   4.925  -0.670  10.169
  751    H3*    G  70           H3*        G  70   5.904   1.139   7.941
  752    H2*    G  70           H2*        G  70   8.071   0.360   8.336
  753   2HO*    G  70          2HO*        G  70   7.527   0.734  10.780
  754    H1*    G  70           H1*        G  70   7.320  -2.198   9.332
  755    H8     G  70           H8         G  70   6.297  -1.075   5.778
  756    H1     G  70           H1         G  70  11.859  -4.220   6.172
  757   1H2     G  70          1H2         G  70  12.381  -4.564   8.303
  758   2H2     G  70          2H2         G  70  11.359  -4.022   9.616
  759   1H5*    G  71          1H5*        G  71   7.754   2.679  12.023
  760   2H5*    G  71          2H5*        G  71   7.803   4.438  11.792
  761    H4*    G  71           H4*        G  71   9.955   3.646  12.612
  762    H3*    G  71           H3*        G  71   9.938   4.590   9.736
  763    H2*    G  71           H2*        G  71  12.240   4.108   9.578
  764   2HO*    G  71          2HO*        G  71  12.909   3.328  12.050
  765    H1*    G  71           H1*        G  71  12.232   1.781  11.051
  766    H8     G  71           H8         G  71   9.258   2.152   8.655
  767    H1     G  71           H1         G  71  14.504  -0.357   5.971
  768   1H2     G  71          1H2         G  71  16.204  -0.256   7.401
  769   2H2     G  71          2H2         G  71  16.047   0.435   9.000
  770   1H5*    U  72          1H5*        U  72  13.305   6.530  11.714
  771   2H5*    U  72          2H5*        U  72  13.251   8.248  11.275
  772    H4*    U  72           H4*        U  72  15.481   7.395  10.879
  773    H3*    U  72           H3*        U  72  13.918   7.898   8.329
  774    H2*    U  72           H2*        U  72  15.858   7.307   7.116
  775   2HO*    U  72          2HO*        U  72  17.660   8.080   7.876
  776    H1*    U  72           H1*        U  72  16.664   5.241   8.793
  777    H3     U  72           H3         U  72  15.510   3.087   4.964
  778    H5     U  72           H5         U  72  11.828   4.352   6.583
  779    H6     U  72           H6         U  72  13.066   5.583   8.265
  780   1H5*    U  73          1H5*        U  73  17.618   9.878   8.235
  781   2H5*    U  73          2H5*        U  73  17.523  11.542   7.623
  782    H4*    U  73           H4*        U  73  19.287  10.353   6.459
  783    H3*    U  73           H3*        U  73  16.830  10.936   4.793
  784    H2*    U  73           H2*        U  73  17.880   9.920   2.930
  785   2HO*    U  73          2HO*        U  73  20.121   9.348   3.000
  786    H1*    U  73           H1*        U  73  18.977   7.794   4.271
  787    H3     U  73           H3         U  73  15.604   5.917   1.902
  788    H5     U  73           H5         U  73  13.639   8.005   4.992
  789    H6     U  73           H6         U  73  15.789   8.917   5.651
  790   1H5*    C  74          1H5*        C  74  19.865  12.071   2.405
  791   2H5*    C  74          2H5*        C  74  19.515  13.548   1.485
  792    H4*    C  74           H4*        C  74  19.950  11.591   0.029
  793    H3*    C  74           H3*        C  74  17.149  12.753  -0.071
  794    H2*    C  74           H2*        C  74  16.676  11.193  -1.781
  795   2HO*    C  74          2HO*        C  74  19.283  10.314  -2.160
  796    H1*    C  74           H1*        C  74  18.334   9.134  -0.805
  797   1H4     C  74          1H4         C  74  12.443   7.117   0.510
  798   2H4     C  74          2H4         C  74  12.380   8.174   1.900
  799    H5     C  74           H5         C  74  14.092   9.798   2.409
  800    H6     C  74           H6         C  74  16.256  10.718   1.720
  801   1H5*    U  75          1H5*        U  75  18.931  13.591  -3.772
  802   2H5*    U  75          2H5*        U  75  18.269  14.878  -4.800
  803    H4*    U  75           H4*        U  75  17.740  12.580  -5.622
  804    H3*    U  75           H3*        U  75  15.464  14.409  -4.821
  805    H2*    U  75           H2*        U  75  13.936  12.731  -5.334
  806   2HO*    U  75          2HO*        U  75  15.952  11.563  -6.972
  807    H1*    U  75           H1*        U  75  15.651  10.514  -4.847
  808    H3     U  75           H3         U  75  11.970   9.591  -2.384
  809    H5     U  75           H5         U  75  13.798  12.795  -0.354
  810    H6     U  75           H6         U  75  15.348  13.004  -2.207
  811   1H5*    U  76          1H5*        U  76  14.980  13.586  -9.287
  812   2H5*    U  76          2H5*        U  76  14.378  15.095  -9.996
  813    H4*    U  76           H4*        U  76  12.977  13.179 -10.625
  814    H3*    U  76           H3*        U  76  11.701  15.282  -8.857
  815    H2*    U  76           H2*        U  76   9.687  14.062  -8.852
  816   2HO*    U  76          2HO*        U  76  10.756  12.461 -10.959
  817    H1*    U  76           H1*        U  76  10.784  11.537  -8.686
  818    H3     U  76           H3         U  76   8.889  12.078  -4.605
  819    H5     U  76           H5         U  76  12.241  14.627  -4.519
  820    H6     U  76           H6         U  76  12.621  14.103  -6.856
  821   1H5*    C  77          1H5*        C  77   7.561  16.694 -12.285
  822   2H5*    C  77          2H5*        C  77   7.928  17.197 -10.623
  823    H4*    C  77           H4*        C  77   6.362  14.777 -11.553
  824    H3*    C  77           H3*        C  77   5.703  17.276 -10.022
  825    H2*    C  77           H2*        C  77   4.493  16.144  -8.404
  826   2HO*    C  77          2HO*        C  77   3.447  14.167  -8.828
  827    H1*    C  77           H1*        C  77   5.741  13.620  -8.548
  828   1H4     C  77          1H4         C  77   7.352  16.248  -2.949
  829   2H4     C  77          2H4         C  77   8.791  16.895  -3.708
  830    H5     C  77           H5         C  77   9.214  16.758  -6.078
  831    H6     C  77           H6         C  77   8.346  15.973  -8.232
  832   1H5*    C  78          1H5*        C  78   1.044  18.401 -10.390
  833   2H5*    C  78          2H5*        C  78   1.920  18.901  -8.930
  834    H4*    C  78           H4*        C  78  -0.054  16.669  -9.308
  835    H3*    C  78           H3*        C  78   0.186  19.064  -7.569
  836    H2*    C  78           H2*        C  78  -0.210  17.980  -5.558
  837   2HO*    C  78          2HO*        C  78  -1.141  15.572  -6.172
  838    H1*    C  78           H1*        C  78   0.799  15.466  -6.054
  839   1H4     C  78          1H4         C  78   5.240  18.608  -2.706
  840   2H4     C  78          2H4         C  78   6.000  19.085  -4.207
  841    H5     C  78           H5         C  78   5.032  18.656  -6.372
  842    H6     C  78           H6         C  78   3.136  17.660  -7.564
  843   1H5*    U  79          1H5*        U  79  -4.119  21.495  -7.105
  844   2H5*    U  79          2H5*        U  79  -2.459  21.763  -6.536
  845    H4*    U  79           H4*        U  79  -4.854  20.746  -5.007
  846    H3*    U  79           H3*        U  79  -2.966  23.064  -4.764
  847    H2*    U  79           H2*        U  79  -2.711  22.830  -2.468
  848   2HO*    U  79          2HO*        U  79  -4.700  21.093  -1.830
  849    H1*    U  79           H1*        U  79  -3.086  20.078  -2.203
  850    H3     U  79           H3         U  79   1.082  21.057  -0.629
  851    H5     U  79           H5         U  79   1.506  20.786  -4.818
  852    H6     U  79           H6         U  79  -0.914  20.672  -4.982
  853   1H5*    A  80          1H5*        A  80  -6.415  26.006  -1.890
  854   2H5*    A  80          2H5*        A  80  -4.928  26.872  -2.323
  855    H4*    A  80           H4*        A  80  -5.690  25.529   0.219
  856    H3*    A  80           H3*        A  80  -5.060  28.122  -0.374
  857    H2*    A  80           H2*        A  80  -2.807  27.907  -0.958
  858   2HO*    A  80          2HO*        A  80  -3.137  28.626   1.535
  859    H1*    A  80           H1*        A  80  -2.150  25.736   0.964
  860    H8     A  80           H8         A  80  -2.731  25.776  -2.885
  861   1H6     A  80          1H6         A  80   3.285  24.418  -3.272
  862   2H6     A  80          2H6         A  80   1.807  24.672  -4.173
  863    H2     A  80           H2         A  80   2.273  24.994   1.071
  864   1H5*    A  81          1H5*        A  81  -7.766  27.810   4.782
  865   2H5*    A  81          2H5*        A  81  -6.557  28.976   4.207
  866    H4*    A  81           H4*        A  81  -6.680  27.791   6.736
  867    H3*    A  81           H3*        A  81  -4.662  29.459   5.276
  868    H2*    A  81           H2*        A  81  -2.880  28.786   6.615
  869   2HO*    A  81          2HO*        A  81  -4.663  27.769   8.579
  870    H1*    A  81           H1*        A  81  -3.662  26.202   7.239
  871    H8     A  81           H8         A  81  -4.149  26.712   3.538
  872   1H6     A  81          1H6         A  81   1.852  25.433   2.864
  873   2H6     A  81          2H6         A  81   0.331  25.681   2.035
  874    H2     A  81           H2         A  81   1.035  25.940   7.256
  875   1H5*    G  82          1H5*        G  82  -2.398  32.688   8.135
  876   2H5*    G  82          2H5*        G  82  -2.252  31.899   6.552
  877    H4*    G  82           H4*        G  82  -1.112  30.792   9.141
  878    H3*    G  82           H3*        G  82   0.088  32.648   7.123
  879    H2*    G  82           H2*        G  82   1.981  31.345   6.767
  880   2HO*    G  82          2HO*        G  82   2.138  31.209   9.242
  881    H1*    G  82           H1*        G  82   0.956  28.808   7.198
  882    H8     G  82           H8         G  82  -1.483  30.519   4.948
  883    H1     G  82           H1         G  82   3.812  28.690   1.850
  884   1H2     G  82          1H2         G  82   5.373  28.081   3.302
  885   2H2     G  82          2H2         G  82   5.116  28.126   5.032
  886   1H5*    U  83          1H5*        U  83   3.390  32.453   9.437
  887   2H5*    U  83          2H5*        U  83   3.745  34.052  10.120
  888    H4*    U  83           H4*        U  83   5.723  33.387   9.002
  889    H3*    U  83           H3*        U  83   4.112  35.354   7.376
  890    H2*    U  83           H2*        U  83   5.606  35.176   5.575
  891   2HO*    U  83          2HO*        U  83   7.553  33.621   6.727
  892    H1*    U  83           H1*        U  83   6.186  32.483   5.778
  893    H3     U  83           H3         U  83   3.873  32.639   1.902
  894    H5     U  83           H5         U  83   0.943  33.334   4.853
  895    H6     U  83           H6         U  83   2.718  33.397   6.508
  896   1H5*    C  84          1H5*        C  84   8.155  36.600   7.231
  897   2H5*    C  84          2H5*        C  84   8.319  38.356   7.428
  898    H4*    C  84           H4*        C  84   9.415  37.575   5.370
  899    H3*    C  84           H3*        C  84   7.009  39.376   5.092
  900    H2*    C  84           H2*        C  84   7.075  39.205   2.765
  901   2HO*    C  84          2HO*        C  84   9.184  38.095   1.925
  902    H1*    C  84           H1*        C  84   8.039  36.592   2.561
  903   1H4     C  84          1H4         C  84   1.849  36.081   1.216
  904   2H4     C  84          2H4         C  84   1.423  36.403   2.880
  905    H5     C  84           H5         C  84   3.041  36.944   4.575
  906    H6     C  84           H6         C  84   5.421  37.299   5.044
  907   1H5*    C  85          1H5*        C  85   9.646  40.307   2.524
  908   2H5*    C  85          2H5*        C  85  10.508  41.852   2.656
  909    H4*    C  85           H4*        C  85  10.099  41.691   0.367
  910    H3*    C  85           H3*        C  85   7.877  43.302   1.633
  911    H2*    C  85           H2*        C  85   6.779  43.453  -0.438
  912   2HO*    C  85          2HO*        C  85   7.906  42.853  -2.409
  913    H1*    C  85           H1*        C  85   7.393  40.924  -1.391
  914   1H4     C  85          1H4         C  85   1.475  40.323   0.856
  915   2H4     C  85          2H4         C  85   2.048  40.446   2.503
  916    H5     C  85           H5         C  85   4.350  40.866   3.072
  917    H6     C  85           H6         C  85   6.601  41.258   2.185
  918   1H5*    U  86          1H5*        U  86   8.479  44.638  -2.008
  919   2H5*    U  86          2H5*        U  86   8.686  46.398  -2.111
  920    H4*    U  86           H4*        U  86   6.924  45.582  -3.628
  921    H3*    U  86           H3*        U  86   6.220  47.460  -1.407
  922    H2*    U  86           H2*        U  86   3.999  46.947  -1.481
  923   2HO*    U  86          2HO*        U  86   3.850  46.587  -4.244
  924    H1*    U  86           H1*        U  86   4.275  44.816  -3.522
  925    H3     U  86           H3         U  86   0.495  43.346  -1.596
  926    H5     U  86           H5         U  86   3.295  43.317   1.564
  927    H6     U  86           H6         U  86   4.875  44.398   0.069
  928    H3T    U  86           H3T        U  86   5.525  48.003  -4.002
  929   1HO1  MN6 101          1HO1      MN6 101  -0.621 -40.237   3.009
  930   2HO1  MN6 101          2HO1      MN6 101   0.845 -40.062   2.480
  931   1HO2  MN6 101          1HO2      MN6 101  -1.801 -42.091  -1.161
  932   2HO2  MN6 101          2HO2      MN6 101  -0.299 -42.312  -1.553
  933   1HO3  MN6 101          1HO3      MN6 101  -2.716 -41.448   1.837
  934   2HO3  MN6 101          2HO3      MN6 101  -2.231 -40.011   1.439
  935   1HO4  MN6 101          1HO4      MN6 101   1.623 -42.925   0.309
  936   2HO4  MN6 101          2HO4      MN6 101   2.042 -41.667   1.146
  937   1HO5  MN6 101          1HO5      MN6 101  -0.312 -39.086   0.601
  938   2HO5  MN6 101          2HO5      MN6 101   0.671 -39.703  -0.453
  939   1HO6  MN6 101          1HO6      MN6 101  -0.617 -43.129   2.762
  940   2HO6  MN6 101          2HO6      MN6 101  -0.352 -43.987   1.478
  941   1HO1  MN6 102          1HO1      MN6 102   4.757 -33.190  -7.096
  942   2HO1  MN6 102          2HO1      MN6 102   5.287 -32.048  -6.162
  943   1HO2  MN6 102          1HO2      MN6 102   5.536 -30.609 -11.011
  944   2HO2  MN6 102          2HO2      MN6 102   6.831 -30.143 -10.261
  945   1HO3  MN6 102          1HO3      MN6 102   4.295 -33.347  -9.344
  946   2HO3  MN6 102          2HO3      MN6 102   4.942 -32.644 -10.586
  947   1HO4  MN6 102          1HO4      MN6 102   6.014 -28.880  -8.006
  948   2HO4  MN6 102          2HO4      MN6 102   6.599 -29.882  -6.953
  949   1HO5  MN6 102          1HO5      MN6 102   7.607 -32.036  -9.177
  950   2HO5  MN6 102          2HO5      MN6 102   7.112 -32.810  -7.907
  951   1HO6  MN6 102          1HO6      MN6 102   3.213 -29.861  -8.505
  952   2HO6  MN6 102          2HO6      MN6 102   2.861 -31.388  -8.557
  953   1HO1  MN6 103          1HO1      MN6 103  -9.924 -17.640  -3.518
  954   2HO1  MN6 103          2HO1      MN6 103  -8.878 -16.642  -4.126
  955   1HO2  MN6 103          1HO2      MN6 103  -8.151 -15.411   0.458
  956   2HO2  MN6 103          2HO2      MN6 103  -7.005 -16.481   0.453
  957   1HO3  MN6 103          1HO3      MN6 103  -8.860 -18.832  -0.119
  958   2HO3  MN6 103          2HO3      MN6 103 -10.209 -18.417  -0.801
  959   1HO4  MN6 103          1HO4      MN6 103  -8.613 -14.404  -1.887
  960   2HO4  MN6 103          2HO4      MN6 103  -7.916 -15.006  -3.155
  961   1HO5  MN6 103          1HO5      MN6 103 -10.552 -15.430  -1.911
  962   2HO5  MN6 103          2HO5      MN6 103 -10.485 -15.864  -0.405
  963   1HO6  MN6 103          1HO6      MN6 103  -6.046 -17.281  -1.349
  964   2HO6  MN6 103          2HO6      MN6 103  -6.512 -17.765  -2.764
  965   1HO1  MN6 104          1HO1      MN6 104 -11.242  -4.624  -0.187
  966   2HO1  MN6 104          2HO1      MN6 104 -12.062  -3.594   0.664
  967   1HO2  MN6 104          1HO2      MN6 104  -8.716  -0.215  -0.326
  968   2HO2  MN6 104          2HO2      MN6 104  -7.761  -1.366   0.144
  969   1HO3  MN6 104          1HO3      MN6 104  -9.751  -4.191  -2.031
  970   2HO3  MN6 104          2HO3      MN6 104 -10.019  -2.846  -2.791
  971   1HO4  MN6 104          1HO4      MN6 104 -10.540  -2.543   2.076
  972   2HO4  MN6 104          2HO4      MN6 104 -10.973  -1.122   1.577
  973   1HO5  MN6 104          1HO5      MN6 104  -8.233  -3.543   1.122
  974   2HO5  MN6 104          2HO5      MN6 104  -8.212  -4.195  -0.303
  975   1HO6  MN6 104          1HO6      MN6 104 -11.599  -0.551  -0.617
  976   2HO6  MN6 104          2HO6      MN6 104 -10.638  -0.602  -1.855
  977   1HO1  MN6 105          1HO1      MN6 105 -12.389   9.801   4.550
  978   2HO1  MN6 105          2HO1      MN6 105 -11.207  10.829   4.578
  979   1HO2  MN6 105          1HO2      MN6 105 -15.340  13.085   6.334
  980   2HO2  MN6 105          2HO2      MN6 105 -14.271  13.537   7.390
  981   1HO3  MN6 105          1HO3      MN6 105 -13.548  11.371   3.390
  982   2HO3  MN6 105          2HO3      MN6 105 -14.867  12.009   3.948
  983   1HO4  MN6 105          1HO4      MN6 105 -12.770  11.554   8.231
  984   2HO4  MN6 105          2HO4      MN6 105 -12.035  12.857   7.765
  985   1HO5  MN6 105          1HO5      MN6 105 -11.406  12.944   4.317
  986   2HO5  MN6 105          2HO5      MN6 105 -11.187  13.500   5.767
  987   1HO6  MN6 105          1HO6      MN6 105 -14.282   9.723   5.770
  988   2HO6  MN6 105          2HO6      MN6 105 -14.573  10.392   7.157
  989   1HO1  MN6 106          1HO1      MN6 106  -3.070  41.553   3.515
  990   2HO1  MN6 106          2HO1      MN6 106  -3.292  40.039   3.857
  991   1HO2  MN6 106          1HO2      MN6 106  -2.668  39.238  -0.851
  992   2HO2  MN6 106          2HO2      MN6 106  -1.137  39.228  -0.517
  993   1HO3  MN6 106          1HO3      MN6 106  -0.017  39.223   1.358
  994   2HO3  MN6 106          2HO3      MN6 106  -0.355  39.532   2.857
  995   1HO4  MN6 106          1HO4      MN6 106  -4.644  40.129   0.568
  996   2HO4  MN6 106          2HO4      MN6 106  -4.577  41.175   1.733
  997   1HO5  MN6 106          1HO5      MN6 106  -1.622  42.565   2.057
  998   2HO5  MN6 106          2HO5      MN6 106  -2.183  42.594   0.594
  999   1HO6  MN6 106          1HO6      MN6 106  -3.706  38.201   1.868
 1000   2HO6  MN6 106          2HO6      MN6 106  -2.374  38.088   2.687
 1001   1HO1  MN6 107          1HO1      MN6 107  -5.127  29.817  -5.172
 1002   2HO1  MN6 107          2HO1      MN6 107  -5.290  31.216  -5.862
 1003   1HO2  MN6 107          1HO2      MN6 107  -0.640  32.172  -4.762
 1004   2HO2  MN6 107          2HO2      MN6 107  -0.463  30.659  -4.394
 1005   1HO3  MN6 107          1HO3      MN6 107  -3.702  31.076  -7.389
 1006   2HO3  MN6 107          2HO3      MN6 107  -3.010  32.452  -7.098
 1007   1HO4  MN6 107          1HO4      MN6 107  -2.373  29.370  -3.284
 1008   2HO4  MN6 107          2HO4      MN6 107  -2.271  30.795  -2.640
 1009   1HO5  MN6 107          1HO5      MN6 107  -1.902  29.087  -6.377
 1010   2HO5  MN6 107          2HO5      MN6 107  -3.460  28.915  -6.329
 1011   1HO6  MN6 107          1HO6      MN6 107  -3.963  33.197  -4.938
 1012   2HO6  MN6 107          2HO6      MN6 107  -3.160  32.998  -3.607
 1013   1HO1  MN6 108          1HO1      MN6 108   9.995  15.906   3.167
 1014   2HO1  MN6 108          2HO1      MN6 108  10.678  14.742   3.964
 1015   1HO2  MN6 108          1HO2      MN6 108   7.029  11.946   2.560
 1016   2HO2  MN6 108          2HO2      MN6 108   6.635  13.013   1.481
 1017   1HO3  MN6 108          1HO3      MN6 108   9.354  13.219   0.093
 1018   2HO3  MN6 108          2HO3      MN6 108  10.546  14.032   0.704
 1019   1HO4  MN6 108          1HO4      MN6 108   6.744  14.028   3.788
 1020   2HO4  MN6 108          2HO4      MN6 108   7.574  15.358   3.834
 1021   1HO5  MN6 108          1HO5      MN6 108   8.623  15.218   0.435
 1022   2HO5  MN6 108          2HO5      MN6 108   8.291  16.094   1.692
 1023   1HO6  MN6 108          1HO6      MN6 108  10.267  11.805   2.846
 1024   2HO6  MN6 108          2HO6      MN6 108  10.169  12.609   4.188
 1025   1HO1  MN6 109          1HO1      MN6 109   7.571   0.010   2.712
 1026   2HO1  MN6 109          2HO1      MN6 109   6.667   1.276   2.514
 1027   1HO2  MN6 109          1HO2      MN6 109  11.556   2.609   2.732
 1028   2HO2  MN6 109          2HO2      MN6 109  10.830   3.862   2.129
 1029   1HO3  MN6 109          1HO3      MN6 109  10.739   0.252   1.722
 1030   2HO3  MN6 109          2HO3      MN6 109  10.858   0.399   3.279
 1031   1HO4  MN6 109          1HO4      MN6 109   7.072   3.382   2.574
 1032   2HO4  MN6 109          2HO4      MN6 109   8.265   4.331   2.204
 1033   1HO5  MN6 109          1HO5      MN6 109   8.071   1.415   4.729
 1034   2HO5  MN6 109          2HO5      MN6 109   9.261   2.392   5.018
 1035   1HO6  MN6 109          1HO6      MN6 109   9.005   1.348   0.156
 1036   2HO6  MN6 109          2HO6      MN6 109   8.927   2.913   0.213
 1037   1HO1  MN6 110          1HO1      MN6 110   8.216 -11.551   9.189
 1038   2HO1  MN6 110          2HO1      MN6 110   8.798 -12.740  10.030
 1039   1HO2  MN6 110          1HO2      MN6 110  12.053 -11.700   6.265
 1040   2HO2  MN6 110          2HO2      MN6 110  11.844 -13.252   6.329
 1041   1HO3  MN6 110          1HO3      MN6 110  11.141 -13.168  10.407
 1042   2HO3  MN6 110          2HO3      MN6 110  12.229 -13.594   9.362
 1043   1HO4  MN6 110          1HO4      MN6 110  10.009 -10.507   6.462
 1044   2HO4  MN6 110          2HO4      MN6 110   8.683 -10.838   7.229
 1045   1HO5  MN6 110          1HO5      MN6 110  11.116 -10.245   9.715
 1046   2HO5  MN6 110          2HO5      MN6 110  10.930  -9.665   8.271
 1047   1HO6  MN6 110          1HO6      MN6 110   9.626 -14.107   6.945
 1048   2HO6  MN6 110          2HO6      MN6 110  10.547 -14.620   8.105
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.823 -45.186   1.317
    2   2H5*    G   1          2H5*        G   1   6.832 -44.035   0.418
    3    H4*    G   1           H4*        G   1   6.387 -45.586  -1.227
    4    H3*    G   1           H3*        G   1   4.384 -43.377  -1.361
    5    H2*    G   1           H2*        G   1   2.876 -44.520  -2.725
    6   2HO*    G   1          2HO*        G   1   4.740 -46.569  -3.313
    7    H1*    G   1           H1*        G   1   3.128 -47.058  -1.768
    8    H8     G   1           H8         G   1   3.234 -45.356   1.444
    9    H1     G   1           H1         G   1  -2.522 -44.600  -1.259
   10   1H2     G   1          1H2         G   1  -2.436 -45.177  -3.399
   11   2H2     G   1          2H2         G   1  -0.968 -45.746  -4.164
   12    H5T    G   1           H5T        G   1   5.326 -42.835   1.445
   13   1H5*    G   2          1H5*        G   2   4.117 -44.446  -4.966
   14   2H5*    G   2          2H5*        G   2   4.661 -43.222  -6.131
   15    H4*    G   2           H4*        G   2   2.422 -43.953  -6.714
   16    H3*    G   2           H3*        G   2   2.655 -41.147  -5.636
   17    H2*    G   2           H2*        G   2   0.338 -40.871  -5.669
   18   2HO*    G   2          2HO*        G   2  -0.706 -42.865  -6.997
   19    H1*    G   2           H1*        G   2  -0.416 -43.539  -5.218
   20    H8     G   2           H8         G   2   2.073 -42.461  -2.607
   21    H1     G   2           H1         G   2  -3.897 -40.500  -1.357
   22   1H2     G   2          1H2         G   2  -5.182 -40.792  -3.143
   23   2H2     G   2          2H2         G   2  -4.578 -41.473  -4.637
   24   1H5*    G   3          1H5*        G   3   0.172 -40.858  -8.666
   25   2H5*    G   3          2H5*        G   3   0.660 -39.768  -9.979
   26    H4*    G   3           H4*        G   3  -1.573 -39.173  -9.422
   27    H3*    G   3           H3*        G   3   0.447 -37.250  -8.259
   28    H2*    G   3           H2*        G   3  -1.229 -36.091  -7.129
   29   2HO*    G   3          2HO*        G   3  -3.525 -36.993  -8.150
   30    H1*    G   3           H1*        G   3  -3.044 -38.226  -6.775
   31    H8     G   3           H8         G   3   0.567 -38.704  -5.545
   32    H1     G   3           H1         G   3  -3.420 -36.178  -1.221
   33   1H2     G   3          1H2         G   3  -5.367 -35.695  -2.183
   34   2H2     G   3          2H2         G   3  -5.677 -35.993  -3.878
   35   1H5*    A   4          1H5*        A   4  -2.878 -35.487  -9.943
   36   2H5*    A   4          2H5*        A   4  -2.591 -34.159 -11.086
   37    H4*    A   4           H4*        A   4  -4.337 -33.504  -9.550
   38    H3*    A   4           H3*        A   4  -1.688 -32.109  -9.166
   39    H2*    A   4           H2*        A   4  -2.494 -30.969  -7.289
   40   2HO*    A   4          2HO*        A   4  -5.179 -31.672  -7.674
   41    H1*    A   4           H1*        A   4  -4.216 -32.932  -6.310
   42    H8     A   4           H8         A   4  -0.644 -33.992  -7.308
   43   1H6     A   4          1H6         A   4   0.790 -33.076  -1.375
   44   2H6     A   4          2H6         A   4   1.356 -33.680  -2.916
   45    H2     A   4           H2         A   4  -3.431 -31.660  -2.011
   46   1H5*    U   5          1H5*        U   5  -4.805 -29.492  -8.802
   47   2H5*    U   5          2H5*        U   5  -4.580 -27.900  -9.555
   48    H4*    U   5           H4*        U   5  -5.153 -27.731  -7.158
   49    H3*    U   5           H3*        U   5  -2.469 -26.729  -8.094
   50    H2*    U   5           H2*        U   5  -1.779 -26.262  -5.916
   51   2HO*    U   5          2HO*        U   5  -4.338 -26.545  -4.791
   52    H1*    U   5           H1*        U   5  -3.158 -28.287  -4.576
   53    H3     U   5           H3         U   5   1.021 -29.639  -3.649
   54    H5     U   5           H5         U   5   0.776 -30.043  -7.838
   55    H6     U   5           H6         U   5  -1.422 -29.021  -7.741
   56   1H5*    A   6          1H5*        A   6  -6.978 -23.322  -5.799
   57   2H5*    A   6          2H5*        A   6  -5.727 -22.145  -5.350
   58    H4*    A   6           H4*        A   6  -6.959 -24.347  -3.712
   59    H3*    A   6           H3*        A   6  -7.297 -21.602  -3.627
   60    H2*    A   6           H2*        A   6  -5.200 -20.944  -2.846
   61   2HO*    A   6          2HO*        A   6  -6.081 -22.060  -0.391
   62    H1*    A   6           H1*        A   6  -4.707 -23.383  -1.212
   63    H8     A   6           H8         A   6  -3.218 -22.186  -4.590
   64   1H6     A   6          1H6         A   6   1.975 -21.271  -1.386
   65   2H6     A   6          2H6         A   6   1.230 -21.213  -2.967
   66    H2     A   6           H2         A   6  -1.204 -22.609   1.494
   67   1H5*    U   7          1H5*        U   7  -9.116 -22.461   1.703
   68   2H5*    U   7          2H5*        U   7  -8.139 -21.003   1.969
   69    H4*    U   7           H4*        U   7  -7.908 -22.949   3.649
   70    H3*    U   7           H3*        U   7  -6.024 -21.036   2.842
   71    H2*    U   7           H2*        U   7  -4.676 -22.436   1.535
   72   2HO*    U   7          2HO*        U   7  -2.958 -22.952   2.720
   73    H1*    U   7           H1*        U   7  -5.266 -24.827   3.267
   74    H3     U   7           H3         U   7  -5.992 -27.290  -0.881
   75    H5     U   7           H5         U   7  -2.367 -25.141  -0.867
   76    H6     U   7           H6         U   7  -3.151 -23.953   1.099
   77   1H5*    G   8          1H5*        G   8  -4.143 -19.147   3.630
   78   2H5*    G   8          2H5*        G   8  -3.907 -20.555   2.575
   79    H4*    G   8           H4*        G   8  -1.499 -19.907   4.094
   80    H3*    G   8           H3*        G   8  -2.831 -17.684   2.596
   81    H2*    G   8           H2*        G   8  -0.990 -17.236   1.249
   82   2HO*    G   8          2HO*        G   8   0.404 -18.188   3.464
   83    H1*    G   8           H1*        G   8   0.096 -19.763   1.007
   84    H8     G   8           H8         G   8  -3.579 -20.169   0.445
   85    H1     G   8           H1         G   8  -0.605 -17.577  -4.589
   86   1H2     G   8          1H2         G   8   1.461 -17.000  -4.035
   87   2H2     G   8          2H2         G   8   2.107 -17.250  -2.430
   88   1H5*    G   9          1H5*        G   9  -3.225 -13.655   3.695
   89   2H5*    G   9          2H5*        G   9  -4.048 -14.255   2.240
   90    H4*    G   9           H4*        G   9  -1.196 -13.404   2.618
   91    H3*    G   9           H3*        G   9  -3.422 -12.805   0.706
   92    H2*    G   9           H2*        G   9  -2.042 -12.824  -1.185
   93   2HO*    G   9          2HO*        G   9  -0.269 -11.718  -0.914
   94    H1*    G   9           H1*        G   9  -0.360 -14.860  -0.543
   95    H8     G   9           H8         G   9  -3.302 -16.516   0.702
   96    H1     G   9           H1         G   9  -3.866 -15.606  -5.614
   97   1H2     G   9          1H2         G   9  -2.358 -14.124  -6.303
   98   2H2     G   9          2H2         G   9  -1.222 -13.363  -5.211
   99   1H5*    A  10          1H5*        A  10  -1.144  -9.739  -0.109
  100   2H5*    A  10          2H5*        A  10  -1.760  -8.090   0.126
  101    H4*    A  10           H4*        A  10  -1.134  -8.444  -2.207
  102    H3*    A  10           H3*        A  10  -4.079  -8.118  -1.632
  103    H2*    A  10           H2*        A  10  -4.620  -8.533  -3.857
  104   2HO*    A  10          2HO*        A  10  -2.065  -8.228  -4.919
  105    H1*    A  10           H1*        A  10  -2.393 -10.154  -4.525
  106    H8     A  10           H8         A  10  -4.131 -11.684  -1.593
  107   1H6     A  10          1H6         A  10  -8.108 -14.194  -5.603
  108   2H6     A  10          2H6         A  10  -7.544 -14.194  -3.947
  109    H2     A  10           H2         A  10  -5.666 -11.130  -7.804
  110   1H5*    A  11          1H5*        A  11  -2.177  -5.471  -4.592
  111   2H5*    A  11          2H5*        A  11  -2.853  -3.834  -4.725
  112    H4*    A  11           H4*        A  11  -2.518  -4.937  -6.929
  113    H3*    A  11           H3*        A  11  -5.294  -4.136  -6.061
  114    H2*    A  11           H2*        A  11  -6.234  -5.067  -8.002
  115   2HO*    A  11          2HO*        A  11  -4.339  -5.851  -9.580
  116    H1*    A  11           H1*        A  11  -4.593  -7.272  -8.241
  117    H8     A  11           H8         A  11  -5.602  -6.717  -4.612
  118   1H6     A  11          1H6         A  11 -10.651 -10.031  -5.920
  119   2H6     A  11          2H6         A  11  -9.712  -9.286  -4.645
  120    H2     A  11           H2         A  11  -8.513  -9.189  -9.778
  121   1H5*    G  12          1H5*        G  12  -4.983  -1.801  -9.750
  122   2H5*    G  12          2H5*        G  12  -5.756  -0.227  -9.468
  123    H4*    G  12           H4*        G  12  -6.864  -1.583 -11.249
  124    H3*    G  12           H3*        G  12  -8.422  -0.822  -8.772
  125    H2*    G  12           H2*        G  12 -10.305  -1.973  -9.583
  126   2HO*    G  12          2HO*        G  12 -10.733  -2.219 -11.678
  127    H1*    G  12           H1*        G  12  -8.971  -4.072 -10.813
  128    H8     G  12           H8         G  12  -7.516  -3.423  -7.371
  129    H1     G  12           H1         G  12 -12.955  -6.798  -7.253
  130   1H2     G  12          1H2         G  12 -13.889  -6.794  -9.269
  131   2H2     G  12          2H2         G  12 -13.177  -5.960 -10.631
  132   1H5*    A  13          1H5*        A  13 -10.871  -0.292 -11.415
  133   2H5*    A  13          2H5*        A  13 -11.291   1.362 -11.905
  134    H4*    A  13           H4*        A  13 -13.397   0.483 -11.775
  135    H3*    A  13           H3*        A  13 -12.747   1.426  -8.983
  136    H2*    A  13           H2*        A  13 -14.694   0.447  -8.136
  137   2HO*    A  13          2HO*        A  13 -16.469  -0.069  -9.448
  138    H1*    A  13           H1*        A  13 -14.824  -1.768  -9.820
  139    H8     A  13           H8         A  13 -11.476  -0.858  -8.101
  140   1H6     A  13          1H6         A  13 -13.138  -4.980  -3.815
  141   2H6     A  13          2H6         A  13 -11.864  -3.919  -4.374
  142    H2     A  13           H2         A  13 -16.561  -4.526  -6.693
  143   1H5*    A  14          1H5*        A  14 -16.887   2.236  -9.794
  144   2H5*    A  14          2H5*        A  14 -17.216   3.936  -9.401
  145    H4*    A  14           H4*        A  14 -18.887   2.511  -8.357
  146    H3*    A  14           H3*        A  14 -16.931   3.857  -6.498
  147    H2*    A  14           H2*        A  14 -17.792   2.728  -4.658
  148   2HO*    A  14          2HO*        A  14 -20.127   1.784  -5.823
  149    H1*    A  14           H1*        A  14 -18.699   0.397  -5.961
  150    H8     A  14           H8         A  14 -15.044   1.617  -6.315
  151   1H6     A  14          1H6         A  14 -13.783  -2.354  -1.759
  152   2H6     A  14          2H6         A  14 -13.107  -1.230  -2.916
  153    H2     A  14           H2         A  14 -18.242  -2.304  -2.356
  154   1H5*    C  15          1H5*        C  15 -21.226   4.177  -5.055
  155   2H5*    C  15          2H5*        C  15 -21.409   5.850  -4.494
  156    H4*    C  15           H4*        C  15 -22.313   4.339  -2.828
  157    H3*    C  15           H3*        C  15 -19.718   5.681  -2.040
  158    H2*    C  15           H2*        C  15 -19.714   4.507  -0.011
  159   2HO*    C  15          2HO*        C  15 -22.202   3.385  -0.046
  160    H1*    C  15           H1*        C  15 -20.950   2.156  -0.911
  161   1H4     C  15          1H4         C  15 -14.844   0.466  -0.397
  162   2H4     C  15          2H4         C  15 -14.384   1.575  -1.669
  163    H5     C  15           H5         C  15 -15.946   3.053  -2.762
  164    H6     C  15           H6         C  15 -18.276   3.813  -2.843
  165   1H5*    C  16          1H5*        C  16 -22.036   5.916   1.397
  166   2H5*    C  16          2H5*        C  16 -21.939   7.559   2.063
  167    H4*    C  16           H4*        C  16 -21.223   5.956   3.743
  168    H3*    C  16           H3*        C  16 -19.046   7.692   2.571
  169    H2*    C  16           H2*        C  16 -17.418   6.565   3.787
  170   2HO*    C  16          2HO*        C  16 -18.853   5.119   5.566
  171    H1*    C  16           H1*        C  16 -18.709   4.057   3.975
  172   1H4     C  16          1H4         C  16 -13.819   3.026   0.058
  173   2H4     C  16          2H4         C  16 -14.455   4.158  -1.115
  174    H5     C  16           H5         C  16 -16.473   5.431  -0.765
  175    H6     C  16           H6         C  16 -18.289   5.927   0.807
  176   1H5*    G  17          1H5*        G  17 -19.968   7.965   7.383
  177   2H5*    G  17          2H5*        G  17 -19.288   9.542   7.831
  178    H4*    G  17           H4*        G  17 -18.799   7.710   9.470
  179    H3*    G  17           H3*        G  17 -16.553   9.202   8.115
  180    H2*    G  17           H2*        G  17 -14.943   7.848   9.165
  181   2HO*    G  17          2HO*        G  17 -16.669   6.426  10.807
  182    H1*    G  17           H1*        G  17 -16.264   5.446   9.005
  183    H8     G  17           H8         G  17 -16.883   7.240   5.770
  184    H1     G  17           H1         G  17 -11.029   4.682   6.058
  185   1H2     G  17          1H2         G  17 -10.609   3.979   8.138
  186   2H2     G  17          2H2         G  17 -11.765   4.158   9.438
  187   1H5*    G  18          1H5*        G  18 -14.741   8.493  11.366
  188   2H5*    G  18          2H5*        G  18 -14.707   9.967  12.355
  189    H4*    G  18           H4*        G  18 -12.507   9.211  12.486
  190    H3*    G  18           H3*        G  18 -12.695  11.232  10.248
  191    H2*    G  18           H2*        G  18 -10.501  10.801   9.602
  192   2HO*    G  18          2HO*        G  18  -9.277   9.464  11.445
  193    H1*    G  18           H1*        G  18 -10.322   8.125  10.539
  194    H8     G  18           H8         G  18 -13.178   8.599   8.114
  195    H1     G  18           H1         G  18  -7.521   7.835   5.228
  196   1H2     G  18          1H2         G  18  -5.880   7.955   6.719
  197   2H2     G  18          2H2         G  18  -6.180   8.225   8.421
  198   1H5*    G  19          1H5*        G  19  -9.095  11.496  12.032
  199   2H5*    G  19          2H5*        G  19  -8.881  13.057  12.848
  200    H4*    G  19           H4*        G  19  -6.833  12.551  11.710
  201    H3*    G  19           H3*        G  19  -8.487  14.691  10.377
  202    H2*    G  19           H2*        G  19  -7.052  14.777   8.553
  203   2HO*    G  19          2HO*        G  19  -4.833  13.637   9.002
  204    H1*    G  19           H1*        G  19  -6.065  12.129   8.646
  205    H8     G  19           H8         G  19  -9.837  12.986   8.454
  206    H1     G  19           H1         G  19  -7.031  11.826   2.819
  207   1H2     G  19          1H2         G  19  -4.855  11.501   3.103
  208   2H2     G  19          2H2         G  19  -4.095  11.572   4.677
  209   1H5*    G  20          1H5*        G  20  -7.766  18.950  10.177
  210   2H5*    G  20          2H5*        G  20  -8.830  18.139   9.011
  211    H4*    G  20           H4*        G  20  -5.834  18.356   9.041
  212    H3*    G  20           H3*        G  20  -8.044  18.929   7.103
  213    H2*    G  20           H2*        G  20  -6.883  18.058   5.258
  214   2HO*    G  20          2HO*        G  20  -4.690  18.760   6.783
  215    H1*    G  20           H1*        G  20  -5.749  15.878   6.405
  216    H8     G  20           H8         G  20  -8.935  15.844   8.232
  217    H1     G  20           H1         G  20  -9.862  14.456   2.052
  218   1H2     G  20          1H2         G  20  -8.052  14.917   0.887
  219   2H2     G  20          2H2         G  20  -6.606  15.585   1.612
  220   1H5*    A  21          1H5*        A  21  -9.342  22.651   6.461
  221   2H5*    A  21          2H5*        A  21  -9.477  21.133   5.548
  222    H4*    A  21           H4*        A  21  -9.811  23.565   4.433
  223    H3*    A  21           H3*        A  21  -8.980  20.937   3.326
  224    H2*    A  21           H2*        A  21  -7.862  21.751   1.468
  225   2HO*    A  21          2HO*        A  21  -8.644  23.343   0.315
  226    H1*    A  21           H1*        A  21  -6.922  24.169   2.374
  227    H8     A  21           H8         A  21  -6.403  21.475   5.005
  228   1H6     A  21          1H6         A  21  -1.147  20.102   2.084
  229   2H6     A  21          2H6         A  21  -2.129  19.807   3.502
  230    H2     A  21           H2         A  21  -3.404  23.037  -0.465
  231   1H5*    A  22          1H5*        A  22 -10.882  19.371  -0.399
  232   2H5*    A  22          2H5*        A  22  -9.875  18.243   0.530
  233    H4*    A  22           H4*        A  22  -9.166  20.011  -1.710
  234    H3*    A  22           H3*        A  22  -8.105  17.463  -0.500
  235    H2*    A  22           H2*        A  22  -5.940  17.893  -1.289
  236   2HO*    A  22          2HO*        A  22  -5.716  19.788  -2.830
  237    H1*    A  22           H1*        A  22  -5.882  20.618  -0.915
  238    H8     A  22           H8         A  22  -7.434  19.743   2.248
  239   1H6     A  22          1H6         A  22  -2.097  17.290   4.162
  240   2H6     A  22          2H6         A  22  -3.693  17.820   4.648
  241    H2     A  22           H2         A  22  -1.816  17.923  -0.280
  242   1H5*    A  23          1H5*        A  23  -7.112  15.505  -5.543
  243   2H5*    A  23          2H5*        A  23  -7.165  14.235  -4.304
  244    H4*    A  23           H4*        A  23  -4.925  15.129  -5.770
  245    H3*    A  23           H3*        A  23  -5.398  13.158  -3.567
  246    H2*    A  23           H2*        A  23  -3.176  13.201  -2.809
  247   2HO*    A  23          2HO*        A  23  -1.882  13.017  -4.507
  248    H1*    A  23           H1*        A  23  -2.648  15.839  -3.035
  249    H8     A  23           H8         A  23  -6.306  15.203  -2.083
  250   1H6     A  23          1H6         A  23  -4.404  15.477   3.787
  251   2H6     A  23          2H6         A  23  -5.800  15.425   2.732
  252    H2     A  23           H2         A  23  -0.760  15.487   1.140
  253   1H5*    C  24          1H5*        C  24  -2.790  11.223  -5.079
  254   2H5*    C  24          2H5*        C  24  -2.901   9.467  -5.305
  255    H4*    C  24           H4*        C  24  -1.513  10.059  -3.356
  256    H3*    C  24           H3*        C  24  -4.113   8.607  -2.803
  257    H2*    C  24           H2*        C  24  -3.616   8.635  -0.501
  258   2HO*    C  24          2HO*        C  24  -0.952   9.408  -1.154
  259    H1*    C  24           H1*        C  24  -2.442  11.148  -0.415
  260   1H4     C  24          1H4         C  24  -8.407  11.916   1.703
  261   2H4     C  24          2H4         C  24  -9.018  11.867   0.065
  262    H5     C  24           H5         C  24  -7.619  11.450  -1.856
  263    H6     C  24           H6         C  24  -5.338  10.967  -2.614
  264   1H5*    U  25          1H5*        U  25  -1.488   7.163  -0.651
  265   2H5*    U  25          2H5*        U  25  -1.190   5.420  -0.524
  266    H4*    U  25           H4*        U  25  -1.550   6.342   1.691
  267    H3*    U  25           H3*        U  25  -3.782   4.598   0.639
  268    H2*    U  25           H2*        U  25  -5.035   4.983   2.572
  269   2HO*    U  25          2HO*        U  25  -3.013   6.148   4.087
  270    H1*    U  25           H1*        U  25  -4.072   7.575   3.147
  271    H3     U  25           H3         U  25  -8.551   8.168   2.782
  272    H5     U  25           H5         U  25  -7.247   7.562  -1.182
  273    H6     U  25           H6         U  25  -5.054   7.010  -0.306
  274   1H5*    U  26          1H5*        U  26  -3.033   3.633   4.285
  275   2H5*    U  26          2H5*        U  26  -2.428   2.008   4.667
  276    H4*    U  26           H4*        U  26  -4.059   2.241   6.280
  277    H3*    U  26           H3*        U  26  -5.441   1.054   3.863
  278    H2*    U  26           H2*        U  26  -7.489   1.166   4.986
  279   2HO*    U  26          2HO*        U  26  -6.236   1.685   7.471
  280    H1*    U  26           H1*        U  26  -6.995   3.496   6.459
  281    H3     U  26           H3         U  26 -10.436   4.969   3.964
  282    H5     U  26           H5         U  26  -7.531   3.954   1.088
  283    H6     U  26           H6         U  26  -6.128   3.132   2.887
  284   1H5*    G  27          1H5*        G  27  -6.518  -0.817   7.412
  285   2H5*    G  27          2H5*        G  27  -7.113  -2.482   7.263
  286    H4*    G  27           H4*        G  27  -8.785  -0.823   8.166
  287    H3*    G  27           H3*        G  27  -9.426  -2.346   5.623
  288    H2*    G  27           H2*        G  27 -11.507  -1.264   5.561
  289   2HO*    G  27          2HO*        G  27 -11.817  -1.801   7.904
  290    H1*    G  27           H1*        G  27 -10.665   1.149   6.756
  291    H8     G  27           H8         G  27  -8.689  -0.108   3.705
  292    H1     G  27           H1         G  27 -13.795   3.497   2.307
  293   1H2     G  27          1H2         G  27 -14.961   3.895   4.151
  294   2H2     G  27          2H2         G  27 -14.477   3.281   5.716
  295   1H5*    G  28          1H5*        G  28 -12.674  -3.760   8.597
  296   2H5*    G  28          2H5*        G  28 -12.565  -5.524   8.429
  297    H4*    G  28           H4*        G  28 -14.874  -4.982   8.240
  298    H3*    G  28           H3*        G  28 -13.598  -5.541   5.561
  299    H2*    G  28           H2*        G  28 -15.607  -5.033   4.450
  300   2HO*    G  28          2HO*        G  28 -17.573  -5.153   5.382
  301    H1*    G  28           H1*        G  28 -16.398  -2.912   6.002
  302    H8     G  28           H8         G  28 -12.633  -3.100   5.211
  303    H1     G  28           H1         G  28 -16.121  -0.029   0.801
  304   1H2     G  28          1H2         G  28 -18.278  -0.186   1.300
  305   2H2     G  28          2H2         G  28 -18.858  -1.060   2.700
  306   1H5*    U  29          1H5*        U  29 -17.531  -7.444   5.580
  307   2H5*    U  29          2H5*        U  29 -17.269  -9.105   5.010
  308    H4*    U  29           H4*        U  29 -19.094  -7.985   3.784
  309    H3*    U  29           H3*        U  29 -16.612  -8.714   2.216
  310    H2*    U  29           H2*        U  29 -17.557  -7.792   0.283
  311   2HO*    U  29          2HO*        U  29 -19.950  -8.432   1.573
  312    H1*    U  29           H1*        U  29 -18.983  -5.712   1.501
  313    H3     U  29           H3         U  29 -16.052  -3.526  -1.181
  314    H5     U  29           H5         U  29 -13.636  -5.152   1.868
  315    H6     U  29           H6         U  29 -15.589  -6.321   2.702
  316   1H5*    U  30          1H5*        U  30 -20.454 -10.083   0.221
  317   2H5*    U  30          2H5*        U  30 -20.074 -11.601  -0.614
  318    H4*    U  30           H4*        U  30 -21.192  -9.879  -2.055
  319    H3*    U  30           H3*        U  30 -18.430 -10.869  -2.815
  320    H2*    U  30           H2*        U  30 -18.500  -9.489  -4.724
  321   2HO*    U  30          2HO*        U  30 -21.270  -9.026  -4.272
  322    H1*    U  30           H1*        U  30 -19.803  -7.338  -3.560
  323    H3     U  30           H3         U  30 -15.708  -5.619  -4.411
  324    H5     U  30           H5         U  30 -15.035  -8.323  -1.245
  325    H6     U  30           H6         U  30 -17.339  -9.052  -1.467
  326   1H5*    C  31          1H5*        C  31 -20.513 -11.160  -6.453
  327   2H5*    C  31          2H5*        C  31 -19.926 -12.598  -7.311
  328    H4*    C  31           H4*        C  31 -19.516 -10.416  -8.497
  329    H3*    C  31           H3*        C  31 -17.201 -12.223  -7.772
  330    H2*    C  31           H2*        C  31 -15.694 -10.659  -8.600
  331   2HO*    C  31          2HO*        C  31 -17.222 -10.591 -10.605
  332    H1*    C  31           H1*        C  31 -17.286  -8.336  -8.214
  333   1H4     C  31          1H4         C  31 -12.367  -7.577  -4.272
  334   2H4     C  31          2H4         C  31 -12.993  -8.814  -3.204
  335    H5     C  31           H5         C  31 -14.951 -10.126  -3.707
  336    H6     C  31           H6         C  31 -16.717 -10.551  -5.354
  337   1H5*    U  32          1H5*        U  32 -16.871 -11.712 -12.296
  338   2H5*    U  32          2H5*        U  32 -16.472 -13.339 -12.885
  339    H4*    U  32           H4*        U  32 -14.857 -11.695 -13.714
  340    H3*    U  32           H3*        U  32 -13.856 -13.748 -11.744
  341    H2*    U  32           H2*        U  32 -11.732 -12.765 -11.701
  342   2HO*    U  32          2HO*        U  32 -10.934 -11.502 -13.341
  343    H1*    U  32           H1*        U  32 -12.490 -10.109 -11.959
  344    H3     U  32           H3         U  32 -10.824 -10.062  -7.784
  345    H5     U  32           H5         U  32 -14.242 -12.490  -7.435
  346    H6     U  32           H6         U  32 -14.524 -12.320  -9.840
  347   1H5*    U  33          1H5*        U  33 -11.492 -13.017 -14.990
  348   2H5*    U  33          2H5*        U  33 -10.573 -14.325 -15.762
  349    H4*    U  33           H4*        U  33  -9.165 -12.369 -15.133
  350    H3*    U  33           H3*        U  33  -8.604 -15.063 -13.891
  351    H2*    U  33           H2*        U  33  -6.976 -14.163 -12.506
  352   2HO*    U  33          2HO*        U  33  -5.593 -12.663 -13.163
  353    H1*    U  33           H1*        U  33  -7.956 -11.499 -12.390
  354    H3     U  33           H3         U  33  -7.564 -12.447  -8.016
  355    H5     U  33           H5         U  33 -10.608 -15.051  -9.329
  356    H6     U  33           H6         U  33 -10.174 -14.306 -11.598
  357   1H5*    C  34          1H5*        C  34  -3.697 -15.968 -14.429
  358   2H5*    C  34          2H5*        C  34  -5.016 -15.834 -13.249
  359    H4*    C  34           H4*        C  34  -3.167 -13.499 -13.687
  360    H3*    C  34           H3*        C  34  -2.451 -16.045 -12.249
  361    H2*    C  34           H2*        C  34  -1.730 -14.903 -10.349
  362   2HO*    C  34          2HO*        C  34  -0.456 -13.434 -11.825
  363    H1*    C  34           H1*        C  34  -3.452 -12.715 -10.442
  364   1H4     C  34          1H4         C  34  -5.564 -16.762  -5.937
  365   2H4     C  34          2H4         C  34  -6.751 -17.327  -7.090
  366    H5     C  34           H5         C  34  -6.779 -16.645  -9.397
  367    H6     C  34           H6         C  34  -5.661 -15.299 -11.106
  368   1H5*    C  35          1H5*        C  35   2.594 -14.300 -12.332
  369   2H5*    C  35          2H5*        C  35   2.728 -16.067 -12.445
  370    H4*    C  35           H4*        C  35   3.661 -14.559 -10.360
  371    H3*    C  35           H3*        C  35   2.874 -17.455 -10.563
  372    H2*    C  35           H2*        C  35   2.839 -17.730  -8.257
  373   2HO*    C  35          2HO*        C  35   5.066 -16.605  -8.287
  374    H1*    C  35           H1*        C  35   2.208 -15.090  -7.496
  375   1H4     C  35          1H4         C  35  -3.009 -18.559  -6.283
  376   2H4     C  35          2H4         C  35  -3.517 -18.360  -7.943
  377    H5     C  35           H5         C  35  -2.151 -17.312  -9.625
  378    H6     C  35           H6         C  35  -0.005 -16.220 -10.079
  379   1H5*    U  36          1H5*        U  36   6.278 -20.461 -10.115
  380   2H5*    U  36          2H5*        U  36   4.714 -21.243  -9.807
  381    H4*    U  36           H4*        U  36   6.368 -19.509  -7.967
  382    H3*    U  36           H3*        U  36   5.340 -22.327  -7.921
  383    H2*    U  36           H2*        U  36   4.649 -22.208  -5.709
  384   2HO*    U  36          2HO*        U  36   5.717 -20.068  -4.630
  385    H1*    U  36           H1*        U  36   4.130 -19.456  -5.506
  386    H3     U  36           H3         U  36   0.372 -21.886  -4.390
  387    H5     U  36           H5         U  36   0.246 -21.338  -8.571
  388    H6     U  36           H6         U  36   2.520 -20.497  -8.462
  389   1H5*    A  37          1H5*        A  37   9.128 -25.061  -5.062
  390   2H5*    A  37          2H5*        A  37   7.627 -25.476  -5.914
  391    H4*    A  37           H4*        A  37   7.935 -24.488  -3.065
  392    H3*    A  37           H3*        A  37   7.923 -27.095  -3.932
  393    H2*    A  37           H2*        A  37   5.787 -27.190  -4.894
  394   2HO*    A  37          2HO*        A  37   5.850 -28.340  -2.691
  395    H1*    A  37           H1*        A  37   4.518 -25.359  -2.902
  396    H8     A  37           H8         A  37   5.386 -25.375  -6.714
  397   1H6     A  37          1H6         A  37  -0.657 -24.374  -7.514
  398   2H6     A  37          2H6         A  37   0.883 -24.598  -8.314
  399    H2     A  37           H2         A  37   0.124 -24.660  -3.097
  400   1H5*    A  38          1H5*        A  38   9.285 -26.968   0.982
  401   2H5*    A  38          2H5*        A  38   8.911 -28.631   1.481
  402    H4*    A  38           H4*        A  38   8.562 -26.994   3.306
  403    H3*    A  38           H3*        A  38   6.292 -28.651   2.274
  404    H2*    A  38           H2*        A  38   4.653 -27.442   3.393
  405   2HO*    A  38          2HO*        A  38   4.955 -26.557   5.339
  406    H1*    A  38           H1*        A  38   5.809 -24.921   3.437
  407    H8     A  38           H8         A  38   6.238 -25.842  -0.087
  408   1H6     A  38          1H6         A  38   0.230 -24.747  -0.995
  409   2H6     A  38          2H6         A  38   1.775 -25.019  -1.768
  410    H2     A  38           H2         A  38   0.951 -24.903   3.439
  411   1H5*    G  39          1H5*        G  39   4.181 -31.296   6.376
  412   2H5*    G  39          2H5*        G  39   4.074 -31.146   4.610
  413    H4*    G  39           H4*        G  39   2.975 -29.251   6.707
  414    H3*    G  39           H3*        G  39   1.757 -31.239   4.847
  415    H2*    G  39           H2*        G  39   0.208 -29.774   3.924
  416   2HO*    G  39          2HO*        G  39  -0.839 -28.372   5.115
  417    H1*    G  39           H1*        G  39   1.576 -27.385   4.050
  418    H8     G  39           H8         G  39   4.134 -29.706   2.724
  419    H1     G  39           H1         G  39  -0.382 -28.435  -1.630
  420   1H2     G  39          1H2         G  39  -2.106 -27.430  -0.669
  421   2H2     G  39          2H2         G  39  -2.154 -27.078   1.045
  422   1H5*    U  40          1H5*        U  40  -1.644 -29.688   6.901
  423   2H5*    U  40          2H5*        U  40  -2.487 -31.024   7.712
  424    H4*    U  40           H4*        U  40  -4.073 -29.725   6.407
  425    H3*    U  40           H3*        U  40  -3.480 -32.525   5.498
  426    H2*    U  40           H2*        U  40  -4.677 -32.289   3.505
  427   2HO*    U  40          2HO*        U  40  -6.110 -30.364   3.274
  428    H1*    U  40           H1*        U  40  -4.123 -29.653   2.925
  429    H3     U  40           H3         U  40  -1.900 -31.839  -0.342
  430    H5     U  40           H5         U  40   0.431 -32.505   3.106
  431    H6     U  40           H6         U  40  -1.317 -31.444   4.413
  432   1H5*    C  41          1H5*        C  41  -7.548 -32.123   5.013
  433   2H5*    C  41          2H5*        C  41  -8.472 -33.529   5.581
  434    H4*    C  41           H4*        C  41  -8.901 -33.079   3.205
  435    H3*    C  41           H3*        C  41  -7.441 -35.636   3.890
  436    H2*    C  41           H2*        C  41  -7.262 -36.173   1.614
  437   2HO*    C  41          2HO*        C  41  -8.593 -35.287   0.040
  438    H1*    C  41           H1*        C  41  -6.913 -33.600   0.625
  439   1H4     C  41          1H4         C  41  -1.059 -36.064   0.719
  440   2H4     C  41          2H4         C  41  -1.013 -35.993   2.466
  441    H5     C  41           H5         C  41  -2.878 -35.271   3.805
  442    H6     C  41           H6         C  41  -5.194 -34.469   3.761
  443   1H5*    C  42          1H5*        C  42 -10.677 -36.368   1.283
  444   2H5*    C  42          2H5*        C  42 -11.731 -37.705   1.784
  445    H4*    C  42           H4*        C  42 -11.200 -37.985  -0.549
  446    H3*    C  42           H3*        C  42  -9.835 -39.930   1.310
  447    H2*    C  42           H2*        C  42  -8.662 -40.896  -0.478
  448   2HO*    C  42          2HO*        C  42 -10.482 -39.561  -2.221
  449    H1*    C  42           H1*        C  42  -8.167 -38.606  -1.931
  450   1H4     C  42          1H4         C  42  -2.843 -39.538   1.435
  451   2H4     C  42          2H4         C  42  -3.653 -39.068   2.912
  452    H5     C  42           H5         C  42  -5.997 -38.516   3.013
  453    H6     C  42           H6         C  42  -8.071 -38.311   1.727
  454   1H5*    U  43          1H5*        U  43 -10.578 -41.775  -1.981
  455   2H5*    U  43          2H5*        U  43 -11.395 -43.345  -1.846
  456    H4*    U  43           H4*        U  43  -9.316 -43.543  -3.127
  457    H3*    U  43           H3*        U  43  -9.442 -44.911  -0.452
  458    H2*    U  43           H2*        U  43  -7.202 -45.389  -0.469
  459   2HO*    U  43          2HO*        U  43  -7.641 -45.756  -3.231
  460    H1*    U  43           H1*        U  43  -6.454 -43.536  -2.581
  461    H3     U  43           H3         U  43  -2.948 -42.941   0.169
  462    H5     U  43           H5         U  43  -6.250 -41.705   2.485
  463    H6     U  43           H6         U  43  -7.702 -42.473   0.698
  464    H3T    U  43           H3T        U  43  -9.898 -46.595  -1.699
  465   1H5*    G  44          1H5*        G  44  -6.228  45.147   0.561
  466   2H5*    G  44          2H5*        G  44  -6.036  43.422   0.194
  467    H4*    G  44           H4*        G  44  -5.581  44.924  -1.751
  468    H3*    G  44           H3*        G  44  -3.564  42.976  -0.715
  469    H2*    G  44           H2*        G  44  -1.786  43.844  -1.950
  470   2HO*    G  44          2HO*        G  44  -3.482  45.438  -3.557
  471    H1*    G  44           H1*        G  44  -2.368  46.512  -1.886
  472    H8     G  44           H8         G  44  -3.217  45.529   1.568
  473    H1     G  44           H1         G  44   3.105  45.292   0.569
  474   1H2     G  44          1H2         G  44   3.534  45.458  -1.609
  475   2H2     G  44          2H2         G  44   2.267  45.616  -2.805
  476    H5T    G  44           H5T        G  44  -4.553  43.319   1.646
  477   1H5*    G  45          1H5*        G  45  -2.635  42.980  -4.125
  478   2H5*    G  45          2H5*        G  45  -2.870  41.597  -5.212
  479    H4*    G  45           H4*        G  45  -0.596  42.221  -5.452
  480    H3*    G  45           H3*        G  45  -0.938  39.808  -3.674
  481    H2*    G  45           H2*        G  45   1.330  39.781  -3.153
  482   2HO*    G  45          2HO*        G  45   2.892  40.411  -4.542
  483    H1*    G  45           H1*        G  45   1.862  42.540  -3.420
  484    H8     G  45           H8         G  45  -1.018  41.955  -1.056
  485    H1     G  45           H1         G  45   4.709  41.053   1.667
  486   1H2     G  45          1H2         G  45   6.294  41.034   0.120
  487   2H2     G  45          2H2         G  45   5.948  41.249  -1.582
  488   1H5*    G  46          1H5*        G  46   2.205  39.429  -6.250
  489   2H5*    G  46          2H5*        G  46   2.123  38.040  -7.353
  490    H4*    G  46           H4*        G  46   4.376  38.198  -6.549
  491    H3*    G  46           H3*        G  46   2.779  35.931  -5.378
  492    H2*    G  46           H2*        G  46   4.494  35.363  -3.886
  493   2HO*    G  46          2HO*        G  46   6.347  37.015  -5.264
  494    H1*    G  46           H1*        G  46   5.483  37.896  -3.352
  495    H8     G  46           H8         G  46   1.652  37.553  -3.368
  496    H1     G  46           H1         G  46   4.409  36.493   2.313
  497   1H2     G  46          1H2         G  46   6.621  36.457   2.084
  498   2H2     G  46          2H2         G  46   7.408  36.691   0.540
  499   1H5*    A  47          1H5*        A  47   6.485  34.836  -5.749
  500   2H5*    A  47          2H5*        A  47   6.831  33.430  -6.775
  501    H4*    A  47           H4*        A  47   8.038  33.146  -4.721
  502    H3*    A  47           H3*        A  47   5.613  31.371  -4.976
  503    H2*    A  47           H2*        A  47   5.874  30.573  -2.805
  504   2HO*    A  47          2HO*        A  47   8.192  31.228  -1.881
  505    H1*    A  47           H1*        A  47   7.122  32.830  -1.665
  506    H8     A  47           H8         A  47   3.785  33.313  -3.523
  507   1H6     A  47          1H6         A  47   1.126  32.632   2.004
  508   2H6     A  47          2H6         A  47   0.865  33.019   0.318
  509    H2     A  47           H2         A  47   5.518  31.779   2.471
  510   1H5*    U  48          1H5*        U  48   8.722  28.804  -3.399
  511   2H5*    U  48          2H5*        U  48   8.421  27.168  -4.020
  512    H4*    U  48           H4*        U  48   8.290  27.510  -1.477
  513    H3*    U  48           H3*        U  48   6.191  26.131  -3.131
  514    H2*    U  48           H2*        U  48   4.683  26.042  -1.374
  515   2HO*    U  48          2HO*        U  48   7.021  25.842   0.152
  516    H1*    U  48           H1*        U  48   5.602  28.253   0.135
  517    H3     U  48           H3         U  48   1.244  29.294  -0.387
  518    H5     U  48           H5         U  48   2.817  29.562  -4.289
  519    H6     U  48           H6         U  48   4.915  28.698  -3.432
  520   1H5*    A  49          1H5*        A  49   8.924  22.231  -1.168
  521   2H5*    A  49          2H5*        A  49   7.803  20.878  -1.425
  522    H4*    A  49           H4*        A  49   8.272  22.549   0.986
  523    H3*    A  49           H3*        A  49   8.302  19.777   0.403
  524    H2*    A  49           H2*        A  49   6.069  19.278   0.714
  525   2HO*    A  49          2HO*        A  49   5.515  19.133   2.982
  526    H1*    A  49           H1*        A  49   5.503  21.589   2.522
  527    H8     A  49           H8         A  49   4.584  20.976  -1.199
  528   1H6     A  49          1H6         A  49  -1.232  20.575   0.850
  529   2H6     A  49          2H6         A  49  -0.207  20.596  -0.564
  530    H2     A  49           H2         A  49   1.461  20.976   4.417
  531   1H5*    U  50          1H5*        U  50   9.249  19.256   5.573
  532   2H5*    U  50          2H5*        U  50   8.028  19.296   4.285
  533    H4*    U  50           H4*        U  50   7.710  19.595   7.160
  534    H3*    U  50           H3*        U  50   6.234  18.403   5.126
  535    H2*    U  50           H2*        U  50   5.214  20.344   4.283
  536   2HO*    U  50          2HO*        U  50   3.291  20.741   5.892
  537    H1*    U  50           H1*        U  50   5.020  21.583   7.017
  538    H3     U  50           H3         U  50   6.856  25.552   4.691
  539    H5     U  50           H5         U  50   3.205  24.117   3.147
  540    H6     U  50           H6         U  50   3.531  22.094   4.449
  541   1H5*    G  51          1H5*        G  51   2.172  19.336   6.604
  542   2H5*    G  51          2H5*        G  51   2.088  17.910   7.659
  543    H4*    G  51           H4*        G  51   0.065  17.845   6.484
  544    H3*    G  51           H3*        G  51   2.109  15.995   5.321
  545    H2*    G  51           H2*        G  51   0.924  15.600   3.367
  546   2HO*    G  51          2HO*        G  51  -1.113  15.504   5.015
  547    H1*    G  51           H1*        G  51  -0.421  18.009   3.073
  548    H8     G  51           H8         G  51   3.254  18.525   3.859
  549    H1     G  51           H1         G  51   2.112  17.387  -2.334
  550   1H2     G  51          1H2         G  51   0.021  16.734  -2.616
  551   2H2     G  51          2H2         G  51  -1.103  16.579  -1.285
  552   1H5*    G  52          1H5*        G  52   0.873  11.703   4.379
  553   2H5*    G  52          2H5*        G  52   1.998  12.969   3.846
  554    H4*    G  52           H4*        G  52  -0.598  12.186   2.473
  555    H3*    G  52           H3*        G  52   2.296  11.571   1.842
  556    H2*    G  52           H2*        G  52   1.835  11.807  -0.458
  557   2HO*    G  52          2HO*        G  52  -0.750  12.242  -0.675
  558    H1*    G  52           H1*        G  52   0.110  13.955  -0.259
  559    H8     G  52           H8         G  52   2.756  14.947   2.102
  560    H1     G  52           H1         G  52   4.881  15.131  -3.940
  561   1H2     G  52          1H2         G  52   3.433  14.103  -5.282
  562   2H2     G  52          2H2         G  52   1.952  13.382  -4.695
  563   1H5*    A  53          1H5*        A  53  -0.012   8.436   0.288
  564   2H5*    A  53          2H5*        A  53   0.526   6.752   0.440
  565    H4*    A  53           H4*        A  53   0.310   7.343  -1.909
  566    H3*    A  53           H3*        A  53   3.127   6.926  -0.903
  567    H2*    A  53           H2*        A  53   4.006   7.497  -2.996
  568   2HO*    A  53          2HO*        A  53   1.403   7.035  -4.067
  569    H1*    A  53           H1*        A  53   2.093   9.389  -3.742
  570    H8     A  53           H8         A  53   3.261  10.049  -0.211
  571   1H6     A  53          1H6         A  53   8.126  12.944  -2.656
  572   2H6     A  53          2H6         A  53   7.259  12.580  -1.183
  573    H2     A  53           H2         A  53   5.920  10.889  -5.997
  574   1H5*    A  54          1H5*        A  54   2.682   4.880  -4.638
  575   2H5*    A  54          2H5*        A  54   3.397   3.260  -4.530
  576    H4*    A  54           H4*        A  54   4.227   4.544  -6.479
  577    H3*    A  54           H3*        A  54   6.210   3.772  -4.331
  578    H2*    A  54           H2*        A  54   7.922   4.858  -5.507
  579   2HO*    A  54          2HO*        A  54   6.733   5.536  -7.831
  580    H1*    A  54           H1*        A  54   6.426   6.961  -6.537
  581    H8     A  54           H8         A  54   5.899   6.191  -2.805
  582   1H6     A  54          1H6         A  54  10.539  10.137  -1.774
  583   2H6     A  54          2H6         A  54   9.334   9.114  -1.028
  584    H2     A  54           H2         A  54  10.173   9.571  -6.209
  585   1H5*    G  55          1H5*        G  55   7.713   1.945  -7.993
  586   2H5*    G  55          2H5*        G  55   8.493   0.384  -7.668
  587    H4*    G  55           H4*        G  55  10.034   1.985  -8.741
  588    H3*    G  55           H3*        G  55  10.684   1.161  -5.897
  589    H2*    G  55           H2*        G  55  12.632   2.494  -6.007
  590   2HO*    G  55          2HO*        G  55  12.471   1.835  -8.654
  591    H1*    G  55           H1*        G  55  11.555   4.551  -7.537
  592    H8     G  55           H8         G  55   9.286   3.417  -4.677
  593    H1     G  55           H1         G  55  13.747   7.671  -2.974
  594   1H2     G  55          1H2         G  55  15.205   7.945  -4.630
  595   2H2     G  55          2H2         G  55  15.067   7.087  -6.149
  596   1H5*    A  56          1H5*        A  56  14.364   0.560  -7.891
  597   2H5*    A  56          2H5*        A  56  14.947  -1.057  -7.451
  598    H4*    A  56           H4*        A  56  16.656   0.598  -6.952
  599    H3*    A  56           H3*        A  56  15.327  -0.665  -4.549
  600    H2*    A  56           H2*        A  56  16.601   0.667  -3.112
  601   2HO*    A  56          2HO*        A  56  18.360   1.608  -5.072
  602    H1*    A  56           H1*        A  56  16.809   2.932  -4.754
  603    H8     A  56           H8         A  56  13.305   1.436  -4.224
  604   1H6     A  56          1H6         A  56  12.822   5.383   0.495
  605   2H6     A  56          2H6         A  56  11.980   4.217  -0.499
  606    H2     A  56           H2         A  56  17.047   5.582  -1.050
  607   1H5*    A  57          1H5*        A  57  19.825  -1.124  -3.990
  608   2H5*    A  57          2H5*        A  57  20.019  -2.765  -3.339
  609    H4*    A  57           H4*        A  57  21.156  -1.018  -1.970
  610    H3*    A  57           H3*        A  57  18.978  -2.719  -0.779
  611    H2*    A  57           H2*        A  57  18.936  -1.485   1.190
  612   2HO*    A  57          2HO*        A  57  21.631  -1.133   0.596
  613    H1*    A  57           H1*        A  57  19.728   1.013   0.191
  614    H8     A  57           H8         A  57  16.815  -0.871  -1.506
  615   1H6     A  57          1H6         A  57  13.142   2.388   2.250
  616   2H6     A  57          2H6         A  57  13.195   1.250   0.922
  617    H2     A  57           H2         A  57  17.409   3.257   3.375
  618   1H5*    C  58          1H5*        C  58  21.948  -2.627   2.217
  619   2H5*    C  58          2H5*        C  58  22.245  -4.266   2.831
  620    H4*    C  58           H4*        C  58  21.694  -2.831   4.689
  621    H3*    C  58           H3*        C  58  19.407  -4.685   3.954
  622    H2*    C  58           H2*        C  58  18.207  -3.792   5.759
  623   2HO*    C  58          2HO*        C  58  20.029  -2.314   7.072
  624    H1*    C  58           H1*        C  58  19.361  -1.205   5.665
  625   1H4     C  58          1H4         C  58  13.334  -0.443   3.781
  626   2H4     C  58          2H4         C  58  13.625  -1.381   2.333
  627    H5     C  58           H5         C  58  15.749  -2.390   1.823
  628    H6     C  58           H6         C  58  18.019  -2.826   2.638
  629   1H5*    C  59          1H5*        C  59  20.255  -4.976   8.031
  630   2H5*    C  59          2H5*        C  59  19.954  -6.581   8.730
  631    H4*    C  59           H4*        C  59  18.623  -4.772   9.809
  632    H3*    C  59           H3*        C  59  17.179  -7.005   8.372
  633    H2*    C  59           H2*        C  59  15.131  -5.996   8.798
  634   2HO*    C  59          2HO*        C  59  16.333  -5.422  11.149
  635    H1*    C  59           H1*        C  59  16.037  -3.316   8.956
  636   1H4     C  59          1H4         C  59  12.369  -3.521   3.788
  637   2H4     C  59          2H4         C  59  13.508  -4.562   2.960
  638    H5     C  59           H5         C  59  15.535  -5.388   3.990
  639    H6     C  59           H6         C  59  16.852  -5.453   6.061
  640   1H5*    G  60          1H5*        G  60  16.116  -6.846  13.017
  641   2H5*    G  60          2H5*        G  60  15.807  -8.545  13.424
  642    H4*    G  60           H4*        G  60  14.072  -7.120  14.374
  643    H3*    G  60           H3*        G  60  13.145  -8.873  12.079
  644    H2*    G  60           H2*        G  60  10.967  -8.022  12.377
  645   2HO*    G  60          2HO*        G  60  11.717  -7.902  14.940
  646    H1*    G  60           H1*        G  60  11.689  -5.408  12.944
  647    H8     G  60           H8         G  60  13.690  -6.918  10.079
  648    H1     G  60           H1         G  60   7.954  -4.709   8.312
  649   1H2     G  60          1H2         G  60   6.785  -4.121  10.108
  650   2H2     G  60          2H2         G  60   7.416  -4.279  11.732
  651   1H5*    G  61          1H5*        G  61  10.005  -8.802  14.566
  652   2H5*    G  61          2H5*        G  61   9.958 -10.380  15.376
  653    H4*    G  61           H4*        G  61   7.714  -9.994  14.870
  654    H3*    G  61           H3*        G  61   8.913 -11.641  12.635
  655    H2*    G  61           H2*        G  61   6.897 -11.535  11.455
  656   2HO*    G  61          2HO*        G  61   5.609 -10.780  13.885
  657    H1*    G  61           H1*        G  61   6.044  -9.008  12.363
  658    H8     G  61           H8         G  61   9.585  -8.973  11.005
  659    H1     G  61           H1         G  61   5.134  -8.579   6.434
  660   1H2     G  61          1H2         G  61   3.116  -8.944   7.298
  661   2H2     G  61          2H2         G  61   2.871  -9.297   8.993
  662   1H5*    G  62          1H5*        G  62   5.011 -12.645  12.928
  663   2H5*    G  62          2H5*        G  62   4.931 -14.283  13.608
  664    H4*    G  62           H4*        G  62   3.353 -14.291  11.859
  665    H3*    G  62           H3*        G  62   5.953 -15.533  10.970
  666    H2*    G  62           H2*        G  62   5.215 -15.689   8.772
  667   2HO*    G  62          2HO*        G  62   2.615 -15.747   9.914
  668    H1*    G  62           H1*        G  62   3.354 -13.542   8.797
  669    H8     G  62           H8         G  62   7.059 -12.982   9.734
  670    H1     G  62           H1         G  62   5.676 -12.010   3.561
  671   1H2     G  62          1H2         G  62   3.566 -12.580   3.152
  672   2H2     G  62          2H2         G  62   2.505 -13.198   4.399
  673   1H5*    G  63          1H5*        G  63   5.813 -19.933   9.770
  674   2H5*    G  63          2H5*        G  63   7.122 -19.031   8.980
  675    H4*    G  63           H4*        G  63   4.283 -19.451   8.100
  676    H3*    G  63           H3*        G  63   7.012 -19.825   6.930
  677    H2*    G  63           H2*        G  63   6.443 -18.948   4.832
  678   2HO*    G  63          2HO*        G  63   4.603 -19.723   4.130
  679    H1*    G  63           H1*        G  63   4.877 -16.876   5.587
  680    H8     G  63           H8         G  63   7.257 -16.699   8.360
  681    H1     G  63           H1         G  63  10.134 -15.212   2.841
  682   1H2     G  63          1H2         G  63   8.847 -15.770   1.139
  683   2H2     G  63          2H2         G  63   7.281 -16.519   1.352
  684   1H5*    A  64          1H5*        A  64   8.773 -23.199   5.961
  685   2H5*    A  64          2H5*        A  64   8.991 -21.515   5.444
  686    H4*    A  64           H4*        A  64   9.881 -23.532   3.978
  687    H3*    A  64           H3*        A  64   8.786 -20.888   3.151
  688    H2*    A  64           H2*        A  64   8.322 -21.499   0.945
  689   2HO*    A  64          2HO*        A  64   9.813 -23.890   1.112
  690    H1*    A  64           H1*        A  64   7.582 -24.106   1.244
  691    H8     A  64           H8         A  64   6.177 -22.102   4.133
  692   1H6     A  64          1H6         A  64   1.287 -20.986   0.561
  693   2H6     A  64          2H6         A  64   1.939 -20.893   2.181
  694    H2     A  64           H2         A  64   4.484 -22.828  -2.014
  695   1H5*    A  65          1H5*        A  65  11.821 -19.121   0.254
  696   2H5*    A  65          2H5*        A  65  10.746 -17.735   0.519
  697    H4*    A  65           H4*        A  65  10.575 -19.836  -1.456
  698    H3*    A  65           H3*        A  65   9.247 -17.198  -0.959
  699    H2*    A  65           H2*        A  65   7.236 -17.817  -1.900
  700   2HO*    A  65          2HO*        A  65   7.345 -18.509  -3.866
  701    H1*    A  65           H1*        A  65   7.425 -20.646  -1.688
  702    H8     A  65           H8         A  65   7.577 -19.626   1.789
  703   1H6     A  65          1H6         A  65   1.492 -18.634   1.663
  704   2H6     A  65          2H6         A  65   2.889 -18.885   2.685
  705    H2     A  65           H2         A  65   2.930 -18.909  -2.588
  706   1H5*    A  66          1H5*        A  66   8.839 -14.464  -4.509
  707   2H5*    A  66          2H5*        A  66   8.208 -14.025  -2.909
  708    H4*    A  66           H4*        A  66   6.784 -14.686  -5.388
  709    H3*    A  66           H3*        A  66   6.247 -13.112  -2.897
  710    H2*    A  66           H2*        A  66   3.950 -13.589  -2.874
  711   2HO*    A  66          2HO*        A  66   4.015 -14.810  -5.419
  712    H1*    A  66           H1*        A  66   3.998 -16.193  -3.581
  713    H8     A  66           H8         A  66   7.137 -15.425  -1.566
  714   1H6     A  66          1H6         A  66   3.790 -16.644   3.472
  715   2H6     A  66          2H6         A  66   5.404 -16.354   2.852
  716    H2     A  66           H2         A  66   0.989 -16.513  -0.061
  717   1H5*    C  67          1H5*        C  67   4.069 -11.109  -5.203
  718   2H5*    C  67          2H5*        C  67   3.883  -9.352  -5.035
  719    H4*    C  67           H4*        C  67   2.151 -10.667  -3.808
  720    H3*    C  67           H3*        C  67   4.011  -8.861  -2.247
  721    H2*    C  67           H2*        C  67   2.929  -9.475  -0.257
  722   2HO*    C  67          2HO*        C  67   0.826 -10.683  -1.743
  723    H1*    C  67           H1*        C  67   2.409 -12.132  -0.925
  724   1H4     C  67          1H4         C  67   7.424 -12.122   3.012
  725   2H4     C  67          2H4         C  67   8.490 -11.763   1.673
  726    H5     C  67           H5         C  67   7.698 -11.342  -0.564
  727    H6     C  67           H6         C  67   5.714 -11.144  -1.989
  728   1H5*    U  68          1H5*        U  68   0.797  -8.336  -0.598
  729   2H5*    U  68          2H5*        U  68   0.042  -6.734  -0.691
  730    H4*    U  68           H4*        U  68  -0.031  -7.344   1.596
  731    H3*    U  68           H3*        U  68   2.251  -5.440   1.037
  732    H2*    U  68           H2*        U  68   2.886  -5.538   3.294
  733   2HO*    U  68          2HO*        U  68   1.184  -6.751   4.719
  734    H1*    U  68           H1*        U  68   2.154  -8.203   3.769
  735    H3     U  68           H3         U  68   6.605  -8.223   4.561
  736    H5     U  68           H5         U  68   6.314  -7.833   0.373
  737    H6     U  68           H6         U  68   3.913  -7.601   0.626
  738   1H5*    U  69          1H5*        U  69   0.602  -4.521   4.253
  739   2H5*    U  69          2H5*        U  69  -0.152  -2.930   4.474
  740    H4*    U  69           H4*        U  69   1.104  -3.180   6.420
  741    H3*    U  69           H3*        U  69   2.802  -1.676   4.415
  742    H2*    U  69           H2*        U  69   4.569  -1.682   5.932
  743   2HO*    U  69          2HO*        U  69   3.386  -2.458   8.244
  744    H1*    U  69           H1*        U  69   3.853  -4.066   7.319
  745    H3     U  69           H3         U  69   8.091  -5.113   6.184
  746    H5     U  69           H5         U  69   6.192  -4.577   2.472
  747    H6     U  69           H6         U  69   4.201  -3.873   3.656
  748   1H5*    G  70          1H5*        G  70   2.831  -0.007   8.288
  749   2H5*    G  70          2H5*        G  70   3.197   1.729   8.341
  750    H4*    G  70           H4*        G  70   4.823   0.269   9.585
  751    H3*    G  70           H3*        G  70   5.867   1.952   7.283
  752    H2*    G  70           H2*        G  70   8.007   1.159   7.779
  753   2HO*    G  70          2HO*        G  70   7.715   1.734  10.081
  754    H1*    G  70           H1*        G  70   7.174  -1.358   8.812
  755    H8     G  70           H8         G  70   6.168  -0.309   5.244
  756    H1     G  70           H1         G  70  11.737  -3.435   5.703
  757   1H2     G  70          1H2         G  70  12.255  -3.744   7.840
  758   2H2     G  70          2H2         G  70  11.231  -3.183   9.144
  759   1H5*    G  71          1H5*        G  71   7.624   3.767  11.320
  760   2H5*    G  71          2H5*        G  71   7.590   5.507  10.974
  761    H4*    G  71           H4*        G  71   9.743   4.962  11.900
  762    H3*    G  71           H3*        G  71   9.748   5.579   8.948
  763    H2*    G  71           H2*        G  71  12.028   5.079   8.772
  764   2HO*    G  71          2HO*        G  71  12.989   6.158  10.377
  765    H1*    G  71           H1*        G  71  12.138   2.962  10.530
  766    H8     G  71           H8         G  71   9.062   3.011   8.230
  767    H1     G  71           H1         G  71  14.219   0.224   5.664
  768   1H2     G  71          1H2         G  71  15.956   0.457   7.036
  769   2H2     G  71          2H2         G  71  15.853   1.322   8.550
  770   1H5*    U  72          1H5*        U  72  13.094   7.920  10.549
  771   2H5*    U  72          2H5*        U  72  12.910   9.560   9.897
  772    H4*    U  72           H4*        U  72  15.167   8.683   9.480
  773    H3*    U  72           H3*        U  72  13.402   9.109   7.063
  774    H2*    U  72           H2*        U  72  15.076   8.294   5.668
  775   2HO*    U  72          2HO*        U  72  16.817   9.082   7.751
  776    H1*    U  72           H1*        U  72  16.251   6.483   7.475
  777    H3     U  72           H3         U  72  15.099   3.878   3.956
  778    H5     U  72           H5         U  72  11.405   4.991   5.656
  779    H6     U  72           H6         U  72  12.610   6.452   7.168
  780   1H5*    U  73          1H5*        U  73  17.190  10.624   6.843
  781   2H5*    U  73          2H5*        U  73  17.404  12.314   6.342
  782    H4*    U  73           H4*        U  73  19.076  11.106   5.176
  783    H3*    U  73           H3*        U  73  16.703  11.541   3.329
  784    H2*    U  73           H2*        U  73  17.958  10.473   1.612
  785   2HO*    U  73          2HO*        U  73  20.115  10.232   1.670
  786    H1*    U  73           H1*        U  73  18.861   8.418   3.162
  787    H3     U  73           H3         U  73  15.642   6.364   0.750
  788    H5     U  73           H5         U  73  13.479   8.811   3.416
  789    H6     U  73           H6         U  73  15.594   9.775   4.140
  790   1H5*    C  74          1H5*        C  74  19.553  12.186   1.209
  791   2H5*    C  74          2H5*        C  74  19.722  13.717   0.333
  792    H4*    C  74           H4*        C  74  19.958  12.026  -1.304
  793    H3*    C  74           H3*        C  74  17.090  13.039  -1.375
  794    H2*    C  74           H2*        C  74  16.792  11.626  -3.276
  795   2HO*    C  74          2HO*        C  74  19.094  10.409  -3.620
  796    H1*    C  74           H1*        C  74  18.084   9.473  -2.194
  797   1H4     C  74          1H4         C  74  11.952   8.633  -0.690
  798   2H4     C  74          2H4         C  74  12.131   9.686   0.700
  799    H5     C  74           H5         C  74  14.131  10.954   1.141
  800    H6     C  74           H6         C  74  16.426  11.411   0.414
  801   1H5*    U  75          1H5*        U  75  18.581  13.836  -4.965
  802   2H5*    U  75          2H5*        U  75  17.941  15.123  -6.001
  803    H4*    U  75           H4*        U  75  17.312  12.852  -6.780
  804    H3*    U  75           H3*        U  75  15.143  14.774  -5.935
  805    H2*    U  75           H2*        U  75  13.518  13.151  -6.242
  806   2HO*    U  75          2HO*        U  75  15.171  12.434  -8.315
  807    H1*    U  75           H1*        U  75  15.168  10.868  -5.857
  808    H3     U  75           H3         U  75  11.528  10.255  -3.225
  809    H5     U  75           H5         U  75  13.929  13.014  -1.133
  810    H6     U  75           H6         U  75  15.331  13.186  -3.108
  811   1H5*    U  76          1H5*        U  76  14.361  13.272  -9.685
  812   2H5*    U  76          2H5*        U  76  13.923  14.393 -10.984
  813    H4*    U  76           H4*        U  76  12.294  12.632 -10.973
  814    H3*    U  76           H3*        U  76  11.269  15.236  -9.848
  815    H2*    U  76           H2*        U  76   9.296  14.252  -9.137
  816   2HO*    U  76          2HO*        U  76   8.475  13.487 -10.994
  817    H1*    U  76           H1*        U  76  10.199  11.562  -8.898
  818    H3     U  76           H3         U  76   8.389  12.159  -4.791
  819    H5     U  76           H5         U  76  11.617  14.855  -4.869
  820    H6     U  76           H6         U  76  11.948  14.306  -7.201
  821   1H5*    C  77          1H5*        C  77   7.225  15.892 -12.963
  822   2H5*    C  77          2H5*        C  77   7.049  16.746 -11.417
  823    H4*    C  77           H4*        C  77   5.863  14.167 -12.329
  824    H3*    C  77           H3*        C  77   4.949  16.581 -10.793
  825    H2*    C  77           H2*        C  77   3.624  15.339  -9.331
  826   2HO*    C  77          2HO*        C  77   3.460  12.892 -10.251
  827    H1*    C  77           H1*        C  77   5.092  12.990  -9.208
  828   1H4     C  77          1H4         C  77   6.337  16.197  -3.827
  829   2H4     C  77          2H4         C  77   7.759  16.869  -4.596
  830    H5     C  77           H5         C  77   8.258  16.583  -6.932
  831    H6     C  77           H6         C  77   7.534  15.545  -9.032
  832   1H5*    C  78          1H5*        C  78   0.775  18.070 -11.180
  833   2H5*    C  78          2H5*        C  78   1.705  18.546  -9.746
  834    H4*    C  78           H4*        C  78  -0.370  16.376 -10.036
  835    H3*    C  78           H3*        C  78  -0.027  18.838  -8.370
  836    H2*    C  78           H2*        C  78  -0.646  17.825  -6.375
  837   2HO*    C  78          2HO*        C  78  -2.629  17.027  -7.094
  838    H1*    C  78           H1*        C  78   0.228  15.227  -6.819
  839   1H4     C  78          1H4         C  78   4.451  18.242  -3.030
  840   2H4     C  78          2H4         C  78   5.469  18.448  -4.434
  841    H5     C  78           H5         C  78   4.785  17.837  -6.659
  842    H6     C  78           H6         C  78   2.950  16.977  -8.033
  843   1H5*    U  79          1H5*        U  79  -3.584  21.622  -8.540
  844   2H5*    U  79          2H5*        U  79  -2.265  22.374  -7.621
  845    H4*    U  79           H4*        U  79  -4.425  20.525  -6.724
  846    H3*    U  79           H3*        U  79  -3.132  23.026  -5.737
  847    H2*    U  79           H2*        U  79  -2.952  22.350  -3.536
  848   2HO*    U  79          2HO*        U  79  -4.381  20.817  -2.619
  849    H1*    U  79           H1*        U  79  -2.798  19.585  -3.812
  850    H3     U  79           H3         U  79   0.965  21.226  -1.710
  851    H5     U  79           H5         U  79   1.750  21.365  -5.848
  852    H6     U  79           H6         U  79  -0.588  20.848  -6.243
  853   1H5*    A  80          1H5*        A  80  -5.303  26.389  -4.013
  854   2H5*    A  80          2H5*        A  80  -3.540  26.519  -4.179
  855    H4*    A  80           H4*        A  80  -5.117  25.223  -1.943
  856    H3*    A  80           H3*        A  80  -4.203  27.799  -2.075
  857    H2*    A  80           H2*        A  80  -1.904  27.425  -2.276
  858   2HO*    A  80          2HO*        A  80  -1.575  26.721   0.339
  859    H1*    A  80           H1*        A  80  -1.825  25.008  -0.535
  860    H8     A  80           H8         A  80  -1.558  25.448  -4.391
  861   1H6     A  80          1H6         A  80   4.329  23.714  -3.663
  862   2H6     A  80          2H6         A  80   3.087  24.140  -4.819
  863    H2     A  80           H2         A  80   2.454  24.007   0.419
  864   1H5*    A  81          1H5*        A  81  -7.779  27.166   1.902
  865   2H5*    A  81          2H5*        A  81  -7.407  28.767   2.576
  866    H4*    A  81           H4*        A  81  -7.566  26.973   4.302
  867    H3*    A  81           H3*        A  81  -5.038  28.553   3.930
  868    H2*    A  81           H2*        A  81  -3.811  27.198   5.363
  869   2HO*    A  81          2HO*        A  81  -6.158  27.167   6.707
  870    H1*    A  81           H1*        A  81  -5.175  24.775   5.016
  871    H8     A  81           H8         A  81  -4.407  25.664   1.561
  872   1H6     A  81          1H6         A  81   1.498  24.151   2.540
  873   2H6     A  81          2H6         A  81   0.284  24.516   1.333
  874    H2     A  81           H2         A  81  -0.539  24.429   6.543
  875   1H5*    G  82          1H5*        G  82  -4.292  30.402   8.922
  876   2H5*    G  82          2H5*        G  82  -3.475  30.978   7.455
  877    H4*    G  82           H4*        G  82  -2.675  28.864   9.395
  878    H3*    G  82           H3*        G  82  -1.318  31.046   7.837
  879    H2*    G  82           H2*        G  82   0.612  29.792   7.493
  880   2HO*    G  82          2HO*        G  82   1.367  28.937   9.255
  881    H1*    G  82           H1*        G  82  -0.480  27.246   7.358
  882    H8     G  82           H8         G  82  -2.672  29.189   5.119
  883    H1     G  82           H1         G  82   3.121  28.303   2.545
  884   1H2     G  82          1H2         G  82   4.536  27.582   4.089
  885   2H2     G  82          2H2         G  82   4.060  27.318   5.751
  886   1H5*    U  83          1H5*        U  83   1.741  30.303  10.955
  887   2H5*    U  83          2H5*        U  83   2.014  31.903  11.672
  888    H4*    U  83           H4*        U  83   4.130  30.908  10.960
  889    H3*    U  83           H3*        U  83   3.173  33.367   9.522
  890    H2*    U  83           H2*        U  83   4.882  33.250   7.924
  891   2HO*    U  83          2HO*        U  83   6.606  31.492   8.456
  892    H1*    U  83           H1*        U  83   5.035  30.529   7.610
  893    H3     U  83           H3         U  83   3.171  31.779   3.678
  894    H5     U  83           H5         U  83   0.092  32.377   6.495
  895    H6     U  83           H6         U  83   1.676  31.833   8.248
  896   1H5*    C  84          1H5*        C  84   6.868  33.621   9.798
  897   2H5*    C  84          2H5*        C  84   7.745  34.948  10.587
  898    H4*    C  84           H4*        C  84   8.697  34.718   8.416
  899    H3*    C  84           H3*        C  84   6.830  37.065   8.672
  900    H2*    C  84           H2*        C  84   6.842  37.483   6.401
  901   2HO*    C  84          2HO*        C  84   8.792  36.346   5.218
  902    H1*    C  84           H1*        C  84   7.494  34.892   5.456
  903   1H4     C  84          1H4         C  84   1.569  35.920   3.415
  904   2H4     C  84          2H4         C  84   0.955  35.881   5.052
  905    H5     C  84           H5         C  84   2.366  35.637   6.987
  906    H6     C  84           H6         C  84   4.678  35.416   7.774
  907   1H5*    C  85          1H5*        C  85  10.699  38.008   6.676
  908   2H5*    C  85          2H5*        C  85  11.359  39.528   7.311
  909    H4*    C  85           H4*        C  85  11.543  39.525   4.896
  910    H3*    C  85           H3*        C  85   9.505  41.421   6.057
  911    H2*    C  85           H2*        C  85   8.805  42.078   3.917
  912   2HO*    C  85          2HO*        C  85  10.437  40.919   2.197
  913    H1*    C  85           H1*        C  85   9.028  39.642   2.637
  914   1H4     C  85          1H4         C  85   2.859  40.066   4.154
  915   2H4     C  85          2H4         C  85   3.226  39.729   5.830
  916    H5     C  85           H5         C  85   5.458  39.472   6.669
  917    H6     C  85           H6         C  85   7.838  39.492   6.091
  918   1H5*    U  86          1H5*        U  86  11.058  42.991   2.857
  919   2H5*    U  86          2H5*        U  86  11.685  44.644   3.009
  920    H4*    U  86           H4*        U  86  10.096  44.430   1.133
  921    H3*    U  86           H3*        U  86   9.437  46.217   3.444
  922    H2*    U  86           H2*        U  86   7.227  46.366   2.905
  923   2HO*    U  86          2HO*        U  86   7.828  46.222   0.135
  924    H1*    U  86           H1*        U  86   7.240  44.308   0.809
  925    H3     U  86           H3         U  86   3.051  43.680   2.329
  926    H5     U  86           H5         U  86   5.453  42.979   5.728
  927    H6     U  86           H6         U  86   7.379  43.671   4.422
  928    H3T    U  86           H3T        U  86   9.411  47.168   0.877
  929   1HO1  MN6 101          1HO1      MN6 101  -0.254 -43.773   3.058
  930   2HO1  MN6 101          2HO1      MN6 101  -1.567 -42.992   3.406
  931   1HO2  MN6 101          1HO2      MN6 101   2.332 -39.834   3.305
  932   2HO2  MN6 101          2HO2      MN6 101   1.422 -39.151   2.226
  933   1HO3  MN6 101          1HO3      MN6 101   1.635 -41.146   0.845
  934   2HO3  MN6 101          2HO3      MN6 101   0.698 -42.402   0.768
  935   1HO4  MN6 101          1HO4      MN6 101   0.904 -40.853   5.323
  936   2HO4  MN6 101          2HO4      MN6 101   0.130 -42.214   5.233
  937   1HO5  MN6 101          1HO5      MN6 101   2.690 -41.978   3.601
  938   2HO5  MN6 101          2HO5      MN6 101   1.779 -43.253   3.650
  939   1HO6  MN6 101          1HO6      MN6 101  -1.777 -40.044   3.308
  940   2HO6  MN6 101          2HO6      MN6 101  -0.996 -39.403   2.110
  941   1HO1  MN6 102          1HO1      MN6 102   5.923 -34.324  -5.881
  942   2HO1  MN6 102          2HO1      MN6 102   7.383 -33.789  -6.079
  943   1HO2  MN6 102          1HO2      MN6 102   5.749 -29.915  -8.398
  944   2HO2  MN6 102          2HO2      MN6 102   4.268 -30.285  -8.046
  945   1HO3  MN6 102          1HO3      MN6 102   5.213 -34.334  -7.957
  946   2HO3  MN6 102          2HO3      MN6 102   4.522 -33.272  -8.881
  947   1HO4  MN6 102          1HO4      MN6 102   6.968 -31.071  -5.156
  948   2HO4  MN6 102          2HO4      MN6 102   5.854 -30.065  -5.607
  949   1HO5  MN6 102          1HO5      MN6 102   7.463 -32.494  -8.944
  950   2HO5  MN6 102          2HO5      MN6 102   7.985 -31.264  -8.123
  951   1HO6  MN6 102          1HO6      MN6 102   4.101 -32.477  -5.363
  952   2HO6  MN6 102          2HO6      MN6 102   3.528 -32.901  -6.759
  953   1HO1  MN6 103          1HO1      MN6 103  -6.588 -14.538  -0.254
  954   2HO1  MN6 103          2HO1      MN6 103  -5.913 -15.930  -0.002
  955   1HO2  MN6 103          1HO2      MN6 103  -9.960 -18.220  -0.754
  956   2HO2  MN6 103          2HO2      MN6 103 -10.135 -17.526  -2.148
  957   1HO3  MN6 103          1HO3      MN6 103  -8.346 -18.004   1.005
  958   2HO3  MN6 103          2HO3      MN6 103  -7.412 -18.595  -0.108
  959   1HO4  MN6 103          1HO4      MN6 103  -8.869 -14.302  -2.105
  960   2HO4  MN6 103          2HO4      MN6 103  -9.463 -15.520  -2.894
  961   1HO5  MN6 103          1HO5      MN6 103  -7.725 -18.476  -2.284
  962   2HO5  MN6 103          2HO5      MN6 103  -6.377 -17.742  -1.967
  963   1HO6  MN6 103          1HO6      MN6 103  -8.340 -15.000   1.080
  964   2HO6  MN6 103          2HO6      MN6 103  -9.581 -15.959   1.083
  965   1HO1  MN6 104          1HO1      MN6 104  -8.454  -1.400   0.866
  966   2HO1  MN6 104          2HO1      MN6 104  -9.663  -2.062   1.614
  967   1HO2  MN6 104          1HO2      MN6 104 -11.500  -2.518  -2.830
  968   2HO2  MN6 104          2HO2      MN6 104 -10.109  -3.008  -3.363
  969   1HO3  MN6 104          1HO3      MN6 104 -11.212  -4.211   0.552
  970   2HO3  MN6 104          2HO3      MN6 104 -10.849  -4.945  -0.785
  971   1HO4  MN6 104          1HO4      MN6 104  -9.555  -0.319  -1.713
  972   2HO4  MN6 104          2HO4      MN6 104  -8.784  -1.310  -2.651
  973   1HO5  MN6 104          1HO5      MN6 104  -7.434  -3.271  -1.184
  974   2HO5  MN6 104          2HO5      MN6 104  -8.268  -4.052  -2.258
  975   1HO6  MN6 104          1HO6      MN6 104 -11.674  -1.986   0.635
  976   2HO6  MN6 104          2HO6      MN6 104 -11.445  -0.807  -0.373
  977   1HO1  MN6 105          1HO1      MN6 105 -14.925  12.778   5.194
  978   2HO1  MN6 105          2HO1      MN6 105 -13.917  13.253   4.092
  979   1HO2  MN6 105          1HO2      MN6 105 -10.437  10.601   6.159
  980   2HO2  MN6 105          2HO2      MN6 105 -11.053  11.159   7.488
  981   1HO3  MN6 105          1HO3      MN6 105 -14.359   9.738   5.975
  982   2HO3  MN6 105          2HO3      MN6 105 -13.984   9.775   4.453
  983   1HO4  MN6 105          1HO4      MN6 105 -12.596  14.027   5.882
  984   2HO4  MN6 105          2HO4      MN6 105 -11.958  13.369   7.153
  985   1HO5  MN6 105          1HO5      MN6 105 -13.766  12.398   7.819
  986   2HO5  MN6 105          2HO5      MN6 105 -13.773  10.830   7.830
  987   1HO6  MN6 105          1HO6      MN6 105 -11.775  10.414   3.716
  988   2HO6  MN6 105          2HO6      MN6 105 -12.089  11.893   3.298
  989   1HO1  MN6 106          1HO1      MN6 106   1.132  39.861   4.941
  990   2HO1  MN6 106          2HO1      MN6 106   0.797  39.742   3.415
  991   1HO2  MN6 106          1HO2      MN6 106  -3.283  42.111   3.947
  992   2HO2  MN6 106          2HO2      MN6 106  -2.594  43.130   4.918
  993   1HO3  MN6 106          1HO3      MN6 106  -0.814  42.477   2.287
  994   2HO3  MN6 106          2HO3      MN6 106  -1.985  41.442   2.173
  995   1HO4  MN6 106          1HO4      MN6 106  -1.312  40.672   6.851
  996   2HO4  MN6 106          2HO4      MN6 106  -0.793  42.147   6.764
  997   1HO5  MN6 106          1HO5      MN6 106   0.863  42.964   3.974
  998   2HO5  MN6 106          2HO5      MN6 106   0.131  43.435   5.279
  999   1HO6  MN6 106          1HO6      MN6 106  -2.261  39.515   3.384
 1000   2HO6  MN6 106          2HO6      MN6 106  -1.242  38.847   4.369
 1001   1HO1  MN6 107          1HO1      MN6 107  -0.274  32.085  -8.677
 1002   2HO1  MN6 107          2HO1      MN6 107  -1.703  31.445  -8.751
 1003   1HO2  MN6 107          1HO2      MN6 107  -2.381  33.125  -4.334
 1004   2HO2  MN6 107          2HO2      MN6 107  -1.891  31.704  -3.889
 1005   1HO3  MN6 107          1HO3      MN6 107  -0.465  29.640  -6.462
 1006   2HO3  MN6 107          2HO3      MN6 107  -0.457  30.043  -4.947
 1007   1HO4  MN6 107          1HO4      MN6 107  -2.765  33.709  -7.231
 1008   2HO4  MN6 107          2HO4      MN6 107  -1.891  34.396  -6.125
 1009   1HO5  MN6 107          1HO5      MN6 107  -3.187  30.361  -6.466
 1010   2HO5  MN6 107          2HO5      MN6 107  -3.503  31.560  -7.424
 1011   1HO6  MN6 107          1HO6      MN6 107   0.750  33.263  -5.655
 1012   2HO6  MN6 107          2HO6      MN6 107   1.000  31.732  -5.431
 1013   1HO1  MN6 108          1HO1      MN6 108   5.565  14.538   2.966
 1014   2HO1  MN6 108          2HO1      MN6 108   6.004  13.131   3.502
 1015   1HO2  MN6 108          1HO2      MN6 108   9.240  14.365  -0.010
 1016   2HO2  MN6 108          2HO2      MN6 108  10.086  15.001   1.146
 1017   1HO3  MN6 108          1HO3      MN6 108   7.314  16.495   1.659
 1018   2HO3  MN6 108          2HO3      MN6 108   7.594  16.364   3.195
 1019   1HO4  MN6 108          1HO4      MN6 108   8.335  11.679   2.228
 1020   2HO4  MN6 108          2HO4      MN6 108   7.972  12.074   0.755
 1021   1HO5  MN6 108          1HO5      MN6 108   5.948  13.902   0.543
 1022   2HO5  MN6 108          2HO5      MN6 108   7.129  14.544  -0.264
 1023   1HO6  MN6 108          1HO6      MN6 108   9.102  14.827   4.142
 1024   2HO6  MN6 108          2HO6      MN6 108   8.800  13.293   4.258
 1025   1HO1  MN6 109          1HO1      MN6 109   6.790   1.763   3.003
 1026   2HO1  MN6 109          2HO1      MN6 109   6.735   1.924   1.444
 1027   1HO2  MN6 109          1HO2      MN6 109  10.018   5.334   1.681
 1028   2HO2  MN6 109          2HO2      MN6 109   9.990   5.229   3.243
 1029   1HO3  MN6 109          1HO3      MN6 109   8.458   4.494   4.478
 1030   2HO3  MN6 109          2HO3      MN6 109   7.057   3.985   3.996
 1031   1HO4  MN6 109          1HO4      MN6 109   9.791   2.170   0.341
 1032   2HO4  MN6 109          2HO4      MN6 109   9.738   3.718   0.095
 1033   1HO5  MN6 109          1HO5      MN6 109   7.486   5.451   2.021
 1034   2HO5  MN6 109          2HO5      MN6 109   6.446   4.279   1.964
 1035   1HO6  MN6 109          1HO6      MN6 109   9.778   1.981   4.108
 1036   2HO6  MN6 109          2HO6      MN6 109   9.870   1.135   2.791
 1037   1HO1  MN6 110          1HO1      MN6 110  10.117 -13.063   6.242
 1038   2HO1  MN6 110          2HO1      MN6 110   9.879 -13.685   7.660
 1039   1HO2  MN6 110          1HO2      MN6 110  11.296  -9.740   9.889
 1040   2HO2  MN6 110          2HO2      MN6 110  11.145  -8.863   8.598
 1041   1HO3  MN6 110          1HO3      MN6 110  11.948 -13.322   8.571
 1042   2HO3  MN6 110          2HO3      MN6 110  12.551 -12.125   9.384
 1043   1HO4  MN6 110          1HO4      MN6 110   8.773 -10.543   6.563
 1044   2HO4  MN6 110          2HO4      MN6 110   9.738  -9.324   6.762
 1045   1HO5  MN6 110          1HO5      MN6 110   9.287 -12.469   9.819
 1046   2HO5  MN6 110          2HO5      MN6 110   8.448 -11.225   9.365
 1047   1HO6  MN6 110          1HO6      MN6 110  11.749 -10.623   5.939
 1048   2HO6  MN6 110          2HO6      MN6 110  12.829 -10.963   7.023