*HEADER    RIBONUCLEIC ACID                        30-AUG-06   2I7E              
*TITLE     GAAA TETRALOOOP RECEPTOR COMPLEX WITH ASSOCIATED COBALT               
*TITLE    2 HEXAMMINE.                                                           
*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: THE GAAA TETRALOOP AND 11-NT RECEPTOR IN              
*SOURCE   4 THIS SEQUENCE 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   1   03-APR-07 2I7E    0                                                


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{\*\generator Msftedit 5.41.15.1507;}\viewkind4\uc1\pard\f0\fs20\par
!non-exchangeable NOEs molecule A\par
\par
!residue 1  intranucleotide \par
assi (resi 1   and name H8) (resi 1   and name H4*) 4.500 2.800 0.900 \par
assi (resi 1   and name H8) (resi 1   and name H2*) 4.500 2.800 0.900 \par
assi (resi 1   and name H8) (resi 1   and name H3*) 3.500 1.700 0.700\par
assi (resi 1   and name H8) (resi 1   and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 1  and name H1*) (resi 1  and name H2*) 3.00 1.200 0.600\par
assi (resi 1  and name H1*) (resi 1  and name H3*) 4.00 2.200 0.800 \par
assi (resi 1  and name H1*) (resi 1  and name H4*) 3.50 1.700 0.700\par
assi (resi 1  and name H3*) (resi 1  and name H2*) 3.00 1.200 0.600\par
\par
!residue 2  intranucleotide\par
assi (resi 2   and name H8) (resi 2   and name H2*) 4.500 2.800 0.900 \par
assi (resi 2   and name H8) (resi 2   and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 2  and name H1*) (resi 2  and name H2*) 3.00 1.200 0.600\par
\par
!residue 2  internucleotide\par
assi (resi 2   and name H8) (resi 1    and name H2*) 2.000 0.200 0.500\par
assi (resi 2   and name H8) (resi 1   and name H1*) 4.50 2.700 0.900 \par
assi (resi 2   and name H1*) (resi 1   and name H2*) 4.50 2.700 0.900 \par
\par
!residue 3  intranucleotide\par
assi (resi 3   and name H8) (resi 3   and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 3  and name H1*) (resi 3  and name H2*) 3.00 1.200 0.600\par
\par
!residue 3  internucleotide\par
assi (resi 3   and name H8) (resi 2    and name H2*) 2.000 0.200 0.500\par
assi (resi 3   and name H8) (resi 2    and name H8) 5.000 3.200 1.000 \par
assi (resi 3   and name H8) (resi 2   and name H1*) 4.50 2.700 0.900 \par
assi (resi 3   and name H1*) (resi 2   and name H2*) 4.50 2.700 0.900 \par
assi (resi 3   and name H1*) (resi 2   and name H1*) 6.000 3.000 1.000\par
\par
!residue 4   intranucleotide\par
assi (resi 4  and name H8) (resi 4  and name H2*) 4.500 2.800 0.900 \par
assi (resi 4  and name H8) (resi 4  and name H1*) 4.000 2.200 0.800\par
assi (resi 4  and name H2) (resi 4  and name H1*) 5.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 4  and name H1*) (resi  4 and name H2*) 3.00 1.200 0.600\par
\par
!residue 4   internucleotide\par
assi (resi  4 and name H8) (resi 3  and name H2*) 2.000 0.200 0.500\par
assi (resi  4 and name H8) (resi 3  and name H8) 5.000 3.200 1.000 \par
assi (resi  4 and name H8) (resi 3  and name H1*) 4.50 2.700 0.900 \par
assi (resi  4 and name H1*) (resi 3  and name H2*) 4.50 2.700 0.900 \par
assi (resi  4 and name H1*) (resi 3  and name H1*) 6.000 3.000 1.000\par
assi (resi  4 and name H2) (resi 5  and name H1*) 4.000 3.000 1.000\par
assi (resi  4 and name H2) (resi 41  and name H1*) 4.000 3.000 1.000\par
\par
!residue 5    intranucleotide \par
assi (resi 5  and name H5) (resi 5  and name H2*) 6.000 3.000 1.000 \par
assi (resi  5 and name H6) (resi 5  and name H2*) 4.000 2.200 0.800\par
assi (resi 5  and name H6) (resi 5  and name H1*) 4.000 2.200 0.800\par
assi (resi 5  and name H5) (resi 5  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 5  and name H1*) (resi 5  and name H2*) 3.00 1.200 0.600\par
assi (resi  5 and name H1*) (resi 5  and name H3*) 4.00 2.200 0.800 \par
assi (resi 5  and name H1*) (resi 5  and name H4*) 3.50 1.700 0.700\par
\par
!residue 5    internucleotide 5* TETRALOOP RECEPTOR BEGINNING\par
assi (resi 5  and name H6) (resi 4  and name H1*) 4.500 2.700 0.900 \par
assi (resi 5  and name H5) (resi 4  and name H1*) 5.000 3.700 1.000  \par
assi (resi 5  and name H5) (resi  4 and name H2*) 3.500 1.800 0.700\par
assi (resi  5 and name H6) (resi  4 and name H2*) 2.000 0.200 0.500\par
assi (resi 5  and name H5) (resi  4 and name H8) 4.00 2.200 0.800\par
assi (resi 5  and name H6) (resi 4  and name H8) 5.000  3.000 1.000 \par
assi (resi 5  and name H1*) (resi  4 and name H2*) 4.500 2.800 0.900 \par
assi (resi 5  and name H1*) (resi 4  and name H1*) 6.000 3.000 1.000\par
assi (resi 5  and name H2*) (resi 37 and name H2) 4.500 2.800 0.900\par
assi (resi 5  and name H1*) (resi 37 and name H2) 4.500 2.800 0.900\par
\par
!residue 6 intranucleotide\par
assi (resi 6  and name H8) (resi 6  and name H2*) 4.500 2.800 0.900 \par
assi (resi 6  and name H8) (resi 6  and name H3*) 3.500 1.700 0.700\par
assi (resi 6  and name H8) (resi 6  and name H1*) 4.000 2.200 0.800\par
assi (resi 6  and name H2) (resi 6  and name H1*) 5.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 6  and name H1*) (resi  6 and name H2*) 3.00 1.200 0.600\par
assi (resi 6  and name H1*) (resi  6 and name H3*) 4.00 2.200 0.800 \par
assi (resi 6  and name H1*) (resi  6 and name H4*) 3.50 1.700 0.700\par
assi (resi 6  and name H2*) (resi  6 and name H3*) 3.50 1.700 0.700\par
\par
!residue 6 internucleotide\par
assi (resi 6  and name H8) (resi 5 and name H2*) 5.000 3.200 0.900\par
assi (resi 6  and name H1*) (resi 8 and name H8) 4.500 2.700 0.900\par
assi (resi 6  and name H1*) (resi 37 and name H2) 5.000 3.200 0.900\par
assi (resi 6  and name H8) (resi 8 and name H8) 5.000 3.200 0.900\par
assi (resi 6  and name H2) (resi 8 and name H8) 5.000 3.200 0.900\par
assi (resi 6  and name H2*) (resi 8 and name H8) 4.500 2.700 0.900\par
assi (resi 6  and name H2) (resi 38 and name H2) 4.500 2.700 0.900\par
assi (resi 6  and name H2) (resi 8 and name H1*) 4.500 2.700 0.900\par
\par
!residue 7 intranucleotide\par
assi (resi 7  and name H5) (resi 7  and name H2*) 6.000 3.000 1.000 \par
assi (resi 7  and name H6) (resi 7  and name H2*) 4.000 2.200 0.800\par
assi (resi 7  and name H6) (resi 7  and name H1*) 4.000 2.200 0.800\par
assi (resi 7  and name H5) (resi 7  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 7  and name H1*) (resi 7  and name H2*) 3.00 1.200 0.600\par
assi (resi 7  and name H1*) (resi 7  and name H3*) 4.00 2.200 0.800 \par
assi (resi 7  and name H2*) (resi 7  and name H3*) 3.00 1.200 0.700\par
\par
!residue 7 internucleotide\par
assi (resi 7  and name H5) (resi 6  and name H2) 5.500 3.200 1.000 \par
assi (resi 7  and name H5) (resi 6  and name H2*) 5.500 3.700 1.000  \par
assi (resi 7  and name H5) (resi 6  and name H1*) 5.500 3.200 1.000\par
assi (resi 7  and name H6) (resi 6  and name H1*) 5.500 3.800 1.000\par
assi (resi 7  and name H3*) (resi 6  and name H1*) 5.500 3.200 0.900\par
assi (resi 7  and name H2*) (resi 6  and name H1*) 5.500 3.200 1.000\par
assi (resi  7 and name H2*) (resi 6  and name H2) 5.500 3.200 0.900\par
assi (resi 7  and name H2*) (resi 6  and name H8) 6.00 3.200 0.900\par
assi (resi 7  and name H1*) (resi 6  and name H1*) 5.500 3.800 0.900 \par
assi (resi 7  and name H1*) (resi 6  and name H1*) 5.500 3.800 0.900 \par
\par
!residue 8   intranucleotide\par
assi (resi 8  and name H8) (resi 8  and name H2*) 4.500 2.800 0.900 \par
assi (resi 8  and name H8) (resi 8  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 8  and name H1*) (resi  8 and name H2*) 3.00 1.200 0.600\par
\par
!G8 internucleotide\par
assi (resi 8  and name H8) (resi 7  and name H2*) 6.00 3.200 1.000\par
assi (resi 8  and name H8) (resi 7  and name H6) 6.00 3.200 1.000\par
assi (resi 8  and name H2*) (resi 7  and name H6) 6.00 3.200 1.000\par
\par
!residue 9   intranucleotide\par
assi (resi 9  and name H8) (resi 9  and name H2*) 4.500 2.800 0.900 \par
assi (resi 9  and name H8) (resi 9  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 9  and name H1*) (resi  9 and name H2*) 3.00 1.200 0.600\par
\par
!residue 9    internucleotide  END 5* TETRALOOP RECEPTOR\par
assi (resi  9 and name H8) (resi 8  and name H2*) 2.000 0.200 0.500\par
assi (resi  9 and name H8) (resi 8  and name H8) 5.000 3.200 1.000 \par
assi (resi  9 and name H8) (resi 8  and name H1*) 4.50 2.700 0.900 \par
assi (resi  9 and name H1*) (resi 8  and name H2*) 4.50 2.700 0.900 \par
assi (resi  9 and name H1*) (resi 8   and name H1*) 6.000 3.000 1.000\par
\par
\par
!residue 10   intranucleotide\par
assi (resi 10  and name H8) (resi 10  and name H2*) 4.500 2.800 0.900 \par
assi (resi 10  and name H8) (resi 10  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 10  and name H1*) (resi  10 and name H2*) 3.00 1.200 0.600\par
\par
!residue 10    internucleotide\par
assi (resi  10 and name H8) (resi 9  and name H2*) 2.000 0.200 0.500\par
assi (resi  10 and name H8) (resi 9  and name H8) 5.000 3.200 1.000 \par
assi (resi  10 and name H8) (resi 9  and name H1*) 4.50 2.700 0.900 \par
assi (resi  10 and name H1*) (resi 9  and name H2*) 4.50 2.700 0.900 \par
assi (resi  10 and name H2) (resi 34  and name H1*) 4.50 2.700 0.900 \par
assi (resi  10 and name H2) (resi 34  and name H6) 5.000 3.200 1.000 \par
\par
!residue 11   intranucleotide\par
assi (resi 11  and name H8) (resi 11  and name H2*) 4.500 2.800 0.900 \par
assi (resi 11  and name H8) (resi 11  and name H1*) 4.000 2.200 0.800\par
assi (resi 11  and name H2) (resi 11  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 11  and name H1*) (resi  11 and name H2*) 3.00 1.200 0.600\par
\par
!residue 11    internucleotide\par
assi (resi  11 and name H8) (resi 10  and name H2*) 2.000 0.200 0.500\par
assi (resi  11 and name H8) (resi 10  and name H8) 5.000 3.200 1.000 \par
assi (resi  11 and name H8) (resi 10  and name H1*) 4.50 2.700 0.900 \par
assi (resi  11 and name H8) (resi 10  and name H2) 6.000 3.000 1.000 \par
assi (resi  11 and name H1*) (resi 10  and name H2*) 4.50 2.700 0.900 \par
assi (resi  11 and name H1*) (resi 10   and name H1*) 6.000 3.000 1.000\par
assi (resi  11 and name H1*) (resi 10  and name H2) 4.50 2.700 0.900 \par
assi (resi  11 and name H2) (resi 12  and name H1*) 4.50 2.700 0.900\par
assi (resi  11 and name H2) (resi 33  and name H1*) 4.50 2.700 0.900  \par
assi (resi  11 and name H2) (resi 33  and name H6) 6.000 3.000 1.000 \par
assi (resi  11 and name H2) (resi 10  and name H2) 5.000 3.200 1.000 \par
\par
!residue 12    intranucleotide\par
assi (resi 12  and name H8) (resi  12 and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi  12 and name H1*) (resi 12  and name H2*) 3.00 1.200 0.600\par
\par
!residue 12    internucleotide\par
assi (resi  12 and name H8) (resi  11 and name H1*) 4.500 2.700 0.900 \par
assi (resi  12 and name H8) (resi  11 and name H2*) 3.500 1.800 0.700\par
assi (resi  12 and name H8) (resi  11 and name H8) 5.000  3.000 1.000 \par
assi (resi  12 and name H1*) (resi  11 and name H2*) 4.500 2.800 0.900 \par
assi (resi  12 and name H1*) (resi  11 and name H1*) 6.000 3.000 1.000\par
assi (resi  12 and name H8) (resi  11 and name H2) 6.000 3.000 1.000\par
\par
!residue 13 intranucleotide\par
assi (resi 13  and name H8) (resi 13  and name H2*) 4.500 2.800 0.900 \par
assi (resi 13  and name H8) (resi 13  and name H1*) 4.000 2.200 0.800\par
assi (resi 13  and name H2) (resi 13  and name H1*) 5.000 3.200 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 13  and name H1*) (resi 13  and name H2*) 3.00 1.200 0.600\par
\par
!residue 13 internulceotide\par
assi (resi 13  and name H8) (resi 12  and name H2*) 2.000 0.200 0.500\par
assi (resi 13  and name H8) (resi 12  and name H1*) 4.50 2.700 0.900 \par
assi (resi 13  and name H1*) (resi 12  and name H2*) 4.50 2.700 0.900 \par
assi (resi 13 and name H1*) (resi  12 and name H1*) 6.000 3.000 1.000\par
assi (resi 13 and name H2) (resi 31  and name H1*) 4.50 2.700 0.900  \par
assi (resi 13 and name H2) (resi 13  and name H8) 6.00 3.000 1.000  \par
assi (resi 13 and name H2) (resi 31  and name H6) 6.00 3.000 1.000\par
\par
!residue 14 intranucleotide\par
assi (resi 14  and name H8) (resi 14  and name H1*) 4.000 2.200 0.800\par
assi (resi 14  and name H2) (resi 14  and name H1*) 6.00 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 14  and name H1*) (resi 14  and name H2*) 3.00 1.200 0.600\par
\par
!residue 14 internucleotide\par
assi (resi  14 and name H8) (resi 13  and name H2*) 2.000 0.200 0.500\par
assi (resi  14 and name H8) (resi 13  and name H8) 5.000 3.200 1.000 \par
assi (resi  14 and name H8) (resi  13 and name H1*) 4.50 2.700 0.900 \par
assi (resi  14 and name H8) (resi 13  and name H2) 6.00 3.000 1.000  \par
assi (resi  14 and name H1*) (resi 13  and name H2*) 4.50 2.700 0.900 \par
assi (resi  14 and name H1*) (resi 13  and name H1*) 6.000 3.000 1.000\par
assi (resi  14 and name H1*) (resi 13  and name H2) 4.50 2.700 0.900\par
assi (resi  14 and name H2) (resi 15  and name H1*) 4.50 2.700 0.900 \par
assi (resi  14 and name H2) (resi 30  and name H1*) 4.50 2.700 0.900  \par
assi (resi  14 and name H2) (resi 13  and name H2) 6.00 3.000 1.000  \par
assi (resi  14 and name H2) (resi 30  and name H6) 6.00 3.000 1.000  \par
\par
!residue 15 intranucleotide\par
assi (resi 15  and name H5) (resi  15 and name H2*) 6.000 3.000 1.000 \par
assi (resi 15  and name H6) (resi  15 and name H2*) 4.000 2.200 0.800\par
assi (resi 15  and name H6) (resi  15 and name H1*) 4.000 2.200 0.800\par
assi (resi 15  and name H5) (resi  15 and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi  15 and name H1*) (resi 15  and name H2*) 3.00 1.200 0.600\par
\par
!residue 15 internucleotide\par
assi (resi 15  and name H6) (resi 14  and name H1*) 4.500 2.700 0.900 \par
assi (resi 15  and name H5) (resi 14  and name H1*) 5.000 3.700 1.000  \par
assi (resi 15  and name H5) (resi 14  and name H2*) 3.500 1.800 0.700\par
assi (resi 15  and name H6) (resi 14  and name H2*) 2.000 0.200 0.500\par
assi (resi 15  and name H5) (resi 14  and name H8) 4.00 2.200 0.800\par
assi (resi 15  and name H6) (resi 14  and name H8) 5.000  3.000 1.000 \par
assi (resi 15  and name H1*) (resi 14  and name H2*) 4.500 2.800 0.900 \par
assi (resi 15  and name H1*) (resi 14 and name H1*) 6.000 3.000 1.000 \par
assi (resi 15  and name H5) (resi 14  and name H2) 5.000  3.200 1.000 \par
\par
!residue 16 intranucleotide\par
assi (resi 16  and name H5) (resi 16  and name H2*) 6.000 3.000 1.000 \par
assi (resi 16  and name H6) (resi 16  and name H3*) 3.000 1.200 0.600\par
assi (resi 16  and name H6) (resi 16  and name H1*) 4.000 2.200 0.800\par
assi (resi 16  and name H5) (resi 16  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 16  and name H1*) (resi 16  and name H2*) 3.00 1.200 0.600\par
\par
!residue 16 internucleotide\par
assi (resi 16  and name H1*) (resi 15  and name H1*) 5.900 3.000 1.000 \par
assi (resi 16  and name H1*) (resi 15  and name H2*) 4.500 2.800 0.900 \par
assi (resi 16  and name H6) (resi 15  and name H1*) 4.500 2.800 0.900\par
assi (resi 16  and name H5) (resi 15  and name H1*) 5.000 3.000 1.000  \par
assi (resi 16  and name H5) (resi 15  and name H2*) 3.500 1.700 0.700\par
assi (resi 16  and name H6) (resi 15  and name H2*) 2.000 0.200 0.500\par
assi (resi 16  and name H5) (resi 15  and name H5) 4.000 2.200 0.800\par
assi (resi 16  and name H5) (resi 15  and name H6) 4.000 2.250 0.800 \par
assi (resi 16  and name H6) (resi 15  and name H6) 5.000 3.000 1.000\par
assi (resi 16  and name H6) (resi 15  and name H5) 5.000 3.000 1.000\par
\par
!residue 17 intranucleotide\par
assi (resi 17  and name H8) (resi 17  and name H2*) 4.500 2.800 0.900 \par
assi (resi 17  and name H8) (resi 17  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 17  and name H1*) (resi 17  and name H2*) 3.00 1.200 0.600\par
\par
!residue 17 internulceotide\par
assi (resi 17  and name H8) (resi 16  and name H2*) 2.000 0.200 0.500\par
assi (resi 17  and name H8) (resi 16  and name H6) 5.000 3.200 1.000 \par
assi (resi 17  and name H8) (resi 16  and name H5) 6.000 3.000 1.000\par
assi (resi 17  and name H8) (resi 16  and name H1*) 4.50 2.700 0.900 \par
assi (resi 17  and name H1*) (resi 16  and name H2*) 4.50 2.700 0.900 \par
assi (resi 17  and name H1*) (resi 16  and name H1*) 6.000 3.000 1.000\par
\par
!residue 18 intranucleotide\par
assi (resi 18  and name H8) (resi 18  and name H2*) 4.500 2.800 0.900 \par
assi (resi 18  and name H8) (resi 18  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 18  and name H1*) (resi 18  and name H2*) 3.00 1.200 0.600\par
\par
!residue 18 internucleotide\par
assi (resi 18  and name H8) (resi 17  and name H2*) 2.000 0.200 0.500\par
assi (resi 18  and name H8) (resi 17  and name H8) 5.000 3.200 1.000 \par
assi (resi 18  and name H8) (resi 17  and name H1*) 4.50 2.700 0.900 \par
assi (resi  18 and name H1*) (resi 17  and name H2*) 4.50 2.700 0.900 \par
assi (resi  18 and name H1*) (resi 17  and name H1*) 6.000 3.000 1.000\par
\par
!residue 19 intranucleotide\par
assi (resi 19  and name H8) (resi 19  and name H2*) 4.500 2.800 0.900 \par
assi (resi 19  and name H8) (resi 19  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 19  and name H1*) (resi 19  and name H2*) 3.00 1.200 0.600\par
\par
!residue 19 internucleotide\par
assi (resi 19  and name H8) (resi 18  and name H2*) 2.000 0.200 0.500\par
assi (resi 19  and name H8) (resi 18  and name H1*) 4.50 2.700 0.900 \par
assi (resi  19 and name H1*) (resi 18  and name H2*) 4.50 2.700 0.900 \par
assi (resi  19 and name H1*) (resi 18  and name H1*) 6.000 3.000 1.000\par
assi (resi  19 and name H2*) (resi 20  and name H8) 3.000 1.200 0.600\par
\par
!G20 intra\par
assi (resi 20  and name H8) (resi 20  and name H2*) 4.500 2.800 0.900 \par
assi (resi 20  and name H8) (resi 20  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 20  and name H1*) (resi 20  and name H2*) 3.00 1.200 0.600\par
\par
!GAAA TETRALOOP BEGIN\par
\par
!G20 inter\par
assi (resi 20 and  name H2*) (resi 22  and name H8) 5.00 3.000 1.000\par
assi (resi 20 and  name H8) (resi 19  and name H8) 5.00 3.000 1.000\par
assi (resi 20 and  name H1*) (resi 19  and name H1*) 5.00 3.000 1.000\par
assi (resi 20 and  name H2*) (resi 19  and name H2*) 5.00 2.000 1.000\par
!A21 intra\par
assi (resi 21  and name H8) (resi 21  and name H2*) 4.500 2.800 0.900 \par
assi (resi 21  and name H8) (resi 21  and name H1*) 4.000 2.200 0.800\par
assi (resi 21 and name H1*) (resi 21  and name H2) 5.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 21  and name H1*) (resi 21  and name H2*) 3.00 1.200 0.600\par
\par
!21 inter\par
assi (resi 21 and  name H1*) (resi 22  and name H1*) 5.00 3.000 1.000\par
assi (resi 21 and  name H2) (resi 22  and name H2) 5.00 3.000 1.000\par
assi (resi 21 and  name H8) (resi 22  and name H8) 6.00 3.000 1.000\par
assi (resi 21 and  name H2*) (resi 22  and name H8) 3.00 1.200 0.600\par
assi (resi 21 and  name H2) (resi 22  and name H1*) 3.00 1.200 0.600\par
assi (resi 21 and  name H2*) (resi 22 and name H1*) 5.00 3.000 1.000\par
\par
!A22 intra\par
assi (resi 22  and name H8) (resi 22  and name H2*) 4.500 2.800 0.900 \par
assi (resi 22  and name H8) (resi 22  and name H1*) 4.000 2.200 0.800\par
assi (resi 22  and name H2) (resi 22  and name H1*) 5.000 3.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 22  and name H1*) (resi 22  and name H2*) 3.00 1.200 0.600\par
\par
!22 inter\par
assi (resi 23 and  name H2) (resi 22  and name H2) 4.00 2.200 1.000\par
assi (resi 23 and  name H8) (resi 22  and name H8) 6.00 3.000 1.000\par
assi (resi 23 and  name H1*) (resi 22  and name H2) 5.00 3.200 1.000\par
assi (resi 22 and  name H2*) (resi 23  and name H8) 4.00 2.200 1.000\par
assi (resi 22 and  name H1*) (resi 21  and name H8) 5.00 3.200 1.000\par
assi (resi 22 and  name H1*) (resi 23  and name H8) 5.00 3.200 1.000\par
\par
!A23 intra\par
assi (resi 23  and name H8) (resi 23  and name H2*) 4.500 2.800 0.900 \par
assi (resi 23  and name H8) (resi 23  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 23  and name H1*) (resi 23  and name H2*) 3.00 1.200 0.600\par
\par
!23 inter\par
assi (resi 23  and name H8) (resi 24  and name H6) 4.000 2.200 0.800\par
assi (resi 23  and name H8) (resi 24  and name H5) 4.000 2.200 0.800\par
assi (resi 23  and name H2*) (resi 24  and name H6) 4.000 2.200 0.800\par
assi (resi 23  and name H8) (resi 24  and name H1*) 5.000 3.200 0.800 \par
assi (resi 23  and name H1*) (resi 24  and name H1*) 6.000 3.200 0.800\par
assi (resi 23  and name H1*) (resi 24  and name H5) 6.000 3.200 0.800\par
assi (resi 23  and name H2*) (resi 22  and name H2) 4.500 2.700 0.900\par
assi (resi 23  and name H2*) (resi 24  and name H1*) 5.000 3.200 1.000\par
assi (resi 24  and name H1*) (resi 23  and name H2) 5.000 3.200 1.000\par
 \par
!GAAA TETRALOOP END\par
\par
!residue 24 intranucleotide\par
assi (resi 24  and name H5) (resi 24  and name H2*) 6.000 3.000 1.000 \par
assi (resi 24  and name H6) (resi 24  and name H2*) 4.000 2.200 0.800\par
assi (resi 24  and name H6) (resi 24  and name H3*) 3.000 1.200 0.600\par
assi (resi 24  and name H6) (resi 24  and name H1*) 4.000 2.200 0.800\par
assi (resi 24  and name H5) (resi 24  and name H1*) 6.000 3.000 1.000\par
assi (resi 24  and name H5) (resi 24  and name H3*) 6.000 3.000 1.000\par
assi (resi 24  and name H5) (resi 24  and name H4*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 24  and name H1*) (resi 24  and name H2*) 3.00 1.200 0.600\par
assi (resi 24  and name H1*) (resi 24  and name H3*) 4.00 2.200 0.800 \par
assi (resi 24  and name H1*) (resi 24  and name H4*) 3.50 1.700 0.700\par
assi (resi 24  and name H2*) (resi 24  and name H3*) 4.50 2.700 0.900\par
assi (resi 24  and name H3*) (resi 24  and name H4*) 4.50 2.700 0.900\par
\par
!C24 inter noes listed at 23 and 25\par
\par
!residue 25 intranucleotide\par
assi (resi 25  and name H5) (resi 25  and name H2*) 6.000 3.000 1.000 \par
assi (resi 25  and name H6) (resi 25  and name H2*) 4.000 2.200 0.800\par
assi (resi 25  and name H6) (resi 25  and name H1*) 4.000 2.200 0.800\par
assi (resi 25  and name H5) (resi 25  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 25  and name H1*) (resi 25  and name H2*) 3.00 1.200 0.600\par
\par
!residue 25 internucleotide\par
assi (resi 25  and name H1*) (resi 24  and name H1*) 5.900 3.000 1.000 \par
assi (resi 25  and name H1*) (resi 24  and name H2*) 4.500 2.800 0.900 \par
assi (resi 25  and name H6) (resi 24  and name H1*) 4.500 2.800 0.900\par
assi (resi 25  and name H5) (resi 24  and name H1*) 5.000 3.000 1.000  \par
assi (resi 25  and name H5) (resi 24  and name H2*) 3.500 1.700 0.700\par
assi (resi 25  and name H6) (resi 24  and name H2*) 2.000 0.200 0.500\par
assi (resi 25  and name H6) (resi 24  and name H3*) 3.500 1.700 0.700\par
assi (resi 25  and name H5) (resi 24  and name H3*) 3.500 1.700 0.700\par
assi (resi 25  and name H5) (resi 24  and name H5) 4.000 2.200 0.800\par
assi (resi 25  and name H5) (resi 24  and name H6) 4.000 2.250 0.800 \par
assi (resi 25  and name H6) (resi 24  and name H6) 5.000 3.000 1.000 \par
assi (resi 25  and name H6) (resi 24  and name H5) 4.500 2.800 0.900\par
\par
!residue 26 intranucleotide\par
assi (resi 26  and name H6) (resi 26  and name H2*) 4.000 2.200 0.800\par
assi (resi 26  and name H6) (resi 26  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 26  and name H1*) (resi 26  and name H2*) 3.00 1.200 0.600\par
\par
!residue 26 internucleotide\par
assi (resi 26  and name H1*) (resi 25  and name H1*) 5.900 3.000 1.000 \par
assi (resi 26  and name H1*) (resi 25  and name H2*) 4.500 2.800 0.900 \par
assi (resi 26  and name H6) (resi 25  and name H1*) 4.500 2.800 0.900\par
assi (resi 26  and name H5) (resi 25  and name H1*) 5.000 3.000 1.000  \par
assi (resi 26  and name H6) (resi 25  and name H2*) 2.000 0.200 0.500\par
assi (resi 26  and name H5) (resi 25  and name H5) 4.000 2.200 0.800\par
assi (resi 26  and name H5) (resi 25  and name H6) 4.000 2.250 0.800 \par
assi (resi 26  and name H2*) (resi 25  and name H2*) 4.000 2.200 1.000 \par
!residue 27 intranucleotide\par
assi (resi 27  and name H8) (resi 27  and name H2*) 4.500 2.800 0.900 \par
assi (resi 27  and name H8) (resi 27  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 27  and name H1*) (resi  27 and name H2*) 3.00 1.200 0.600\par
\par
!residue 27 internulceotide\par
assi (resi  27 and name H8) (resi  26 and name H2*) 2.000 0.200 0.500\par
assi (resi  27 and name H8) (resi  26 and name H6) 5.000 3.200 1.000 \par
assi (resi  27 and name H8) (resi  26 and name H1*) 4.50 2.700 0.900 \par
assi (resi  27 and name H1*) (resi 26  and name H2*) 4.50 2.700 0.900 \par
assi (resi  27 and name H1*) (resi 26  and name H1*) 6.000 3.000 1.000\par
assi (resi  27 and name H1*) (resi 26  and name H5) 6.000 3.000 1.000\par
\par
!residue 28 intranucleotide\par
assi (resi 28  and name H8) (resi 28  and name H2*) 4.500 2.800 0.900 \par
assi (resi 28  and name H8) (resi 28  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 28  and name H1*) (resi 28  and name H2*) 3.00 1.200 0.600\par
assi (resi 28  and name H1*) (resi 28  and name H3*) 4.00 2.200 0.800 \par
assi (resi 28  and name H1*) (resi 28  and name H4*) 3.50 1.700 0.700\par
assi (resi 28  and name H1*) (resi 28  and name H5**) 6.00 3.000 1.000\par
\par
!residue 28 internucleotide\par
assi (resi 28  and name H8) (resi  27 and name H2*) 2.000 0.200 0.500\par
assi (resi 28  and name H8) (resi  27 and name H8) 5.000 3.200 1.000 \par
assi (resi 28  and name H8) (resi  27 and name H1*) 4.50 2.700 0.900 \par
\par
!residue 29 intranucleotide\par
assi (resi 29  and name H5) (resi 29  and name H2*) 6.000 3.000 1.000 \par
assi (resi 29  and name H6) (resi 29  and name H1*) 4.000 2.200 0.800\par
assi (resi 29  and name H5) (resi 29  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 29  and name H1*) (resi  29 and name H2*) 3.00 1.200 0.600\par
\par
!residue 29 internucleotide\par
assi (resi 29  and name H6) (resi  28 and name H1*) 4.500 2.700 0.900 \par
assi (resi 29  and name H5) (resi  28 and name H1*) 5.000 3.700 1.000  \par
assi (resi 29  and name H5) (resi  28 and name H2*) 3.500 1.800 0.700\par
assi (resi 29  and name H6) (resi  28 and name H2*) 2.000 0.200 0.500\par
assi (resi 29  and name H5) (resi  28 and name H8) 4.00 2.200 0.800\par
assi (resi 29  and name H6) (resi  28 and name H8) 5.000  3.000 1.000 \par
assi (resi 29  and name H1*) (resi 28  and name H2*) 4.500 2.800 0.900 \par
assi (resi 29  and name H1*) (resi 28  and name H1*) 6.000 3.000 1.000 \par
\par
!residue 30 intranucleotide\par
assi (resi 30  and name H5) (resi 30  and name H2*) 6.000 3.000 1.000 \par
assi (resi 30  and name H6) (resi 30  and name H2*) 4.000 2.200 0.800\par
assi (resi 30  and name H6) (resi 30  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 30  and name H1*) (resi 30  and name H2*) 3.00 1.200 0.600\par
\par
!residue 30 internucleotide\par
assi (resi 30  and name H1*) (resi 29  and name H1*) 5.900 3.000 1.000 \par
assi (resi 30  and name H1*) (resi 29  and name H2*) 4.500 2.800 0.900 \par
assi (resi 30  and name H6) (resi  29 and name H1*) 4.500 2.800 0.900\par
assi (resi 30  and name H5) (resi  29 and name H1*) 5.000 3.000 1.000  \par
assi (resi  30 and name H6) (resi 29  and name H2*) 2.000 0.200 0.500\par
assi (resi  30 and name H5) (resi  29 and name H5) 4.000 2.200 0.800\par
assi (resi  30 and name H5) (resi 29  and name H6) 4.000 2.250 0.800 \par
assi (resi  30 and name H6) (resi 29  and name H6) 5.000 3.000 1.000 \par
assi (resi 30  and name H1*) (resi 13  and name H2) 5.000 3.000 1.000 \par
\par
!residue 31 intranucleotide\par
assi (resi 31  and name H5) (resi 31  and name H2*) 6.000 3.000 1.000 \par
assi (resi 31  and name H6) (resi 31  and name H2*) 4.000 2.200 0.800\par
assi (resi 31  and name H6) (resi 31  and name H1*) 4.000 2.200 0.800\par
assi (resi 31  and name H5) (resi 31  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 31  and name H1*) (resi 31  and name H2*) 3.00 1.200 0.600\par
\par
!residue 31 internucleotide\par
assi (resi 31  and name H1*) (resi 30  and name H1*) 5.900 3.000 1.000 \par
assi (resi 31  and name H1*) (resi 30  and name H2*) 4.500 2.800 0.900 \par
assi (resi 31  and name H6) (resi 30  and name H1*) 4.500 2.800 0.900\par
assi (resi 31  and name H5) (resi 30  and name H1*) 5.000 3.000 1.000  \par
assi (resi 31  and name H6) (resi 30  and name H2*) 2.000 0.200 0.500\par
assi (resi 31  and name H5) (resi 30  and name H6) 4.000 2.250 0.800 \par
assi (resi 31  and name H6) (resi 30  and name H6) 5.000 3.000 1.000 \par
assi (resi 31  and name H6) (resi 30  and name H5) 5.000 3.000 1.000 \par
\par
!residue 32 intranucleotide\par
assi (resi 32  and name H5) (resi 32  and name H2*) 6.000 3.000 1.000 \par
assi (resi 32  and name H6) (resi 32  and name H2*) 4.000 2.200 0.800\par
assi (resi 32  and name H6) (resi 32  and name H1*) 4.000 2.200 0.800\par
assi (resi 32  and name H5) (resi 32  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 32  and name H1*) (resi 32  and name H2*) 3.00 1.200 0.600\par
\par
!residue 32 internucleotide\par
assi (resi 32  and name H1*) (resi 31  and name H1*) 5.900 3.000 1.000 \par
assi (resi 32  and name H1*) (resi 31  and name H2*) 4.500 2.800 0.900 \par
assi (resi 32  and name H6) (resi 31  and name H1*) 4.500 2.800 0.900\par
assi (resi 32  and name H5) (resi 31  and name H1*) 5.000 3.000 1.000  \par
assi (resi 32  and name H5) (resi 31  and name H2*) 3.500 1.700 0.700\par
assi (resi 32  and name H6) (resi 31  and name H2*) 2.000 0.200 0.500\par
assi (resi 32  and name H5) (resi 31  and name H5) 4.000 2.200 0.800\par
assi (resi 32  and name H5) (resi 31  and name H6) 4.000 2.250 0.800 \par
assi (resi 32  and name H6) (resi 31  and name H6) 5.000 3.000 1.000 \par
\par
!residue 33 intranucleotide\par
assi (resi 33  and name H5) (resi 33  and name H2*) 6.000 3.000 1.000 \par
assi (resi 33  and name H6) (resi 33  and name H2*) 4.000 2.200 0.800\par
assi (resi 33  and name H6) (resi 33  and name H1*) 4.000 2.200 0.800\par
assi (resi 33  and name H5) (resi 33  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 33  and name H1*) (resi 33  and name H2*) 3.00 1.200 0.600\par
\par
!residue 33 internucleotide\par
assi (resi 33  and name H1*) (resi 32  and name H1*) 5.900 3.000 1.000 \par
assi (resi 33  and name H1*) (resi 32  and name H2*) 4.500 2.800 0.900 \par
assi (resi 33  and name H6) (resi 32  and name H1*) 4.500 2.800 0.900\par
assi (resi 33  and name H5) (resi 32  and name H1*) 5.000 3.000 1.000  \par
assi (resi 33  and name H5) (resi 32  and name H2*) 3.500 1.700 0.700\par
assi (resi 33  and name H6) (resi 32  and name H2*) 2.000 0.200 0.500\par
assi (resi 33  and name H5) (resi 32  and name H5) 4.000 2.200 0.800\par
assi (resi 33  and name H5) (resi 32  and name H6) 4.000 2.250 0.800 \par
assi (resi 33  and name H6) (resi 32  and name H6) 5.000 3.000 1.000\par
assi (resi 33  and name H1*) (resi 10  and name H2) 4.500 2.700 1.000\par
\par
!residue 34 intranucleotide  3* TETRALOOP RECEPTOR BEGINNING\par
assi (resi 34  and name H5) (resi 34  and name H2*) 6.000 3.000 1.000 \par
assi (resi 34  and name H6) (resi 34  and name H2*) 4.000 2.200 0.800\par
assi (resi 34  and name H6) (resi 34  and name H1*) 4.000 2.200 0.800\par
assi (resi 34  and name H5) (resi 34  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 34  and name H1*) (resi 34  and name H2*) 3.00 1.200 0.600\par
\par
!residue 34 internucleotide\par
assi (resi 34  and name H1*) (resi 33  and name H1*) 5.900 3.000 1.000 \par
assi (resi 34  and name H1*) (resi 33  and name H2*) 4.500 2.800 0.900 \par
assi (resi 34  and name H6) (resi 33  and name H1*) 4.500 2.800 0.900\par
assi (resi 34  and name H5) (resi 33  and name H1*) 5.000 3.000 1.000  \par
assi (resi 34  and name H5) (resi 33  and name H2*) 3.500 1.700 0.700\par
assi (resi 34  and name H6) (resi 33  and name H2*) 2.000 0.200 0.500\par
assi (resi 34  and name H5) (resi 33  and name H5) 4.000 2.200 0.800\par
assi (resi 34  and name H5) (resi 33  and name H6) 4.000 2.250 0.800 \par
assi (resi 34  and name H6) (resi 33  and name H6) 5.000 3.000 1.000\par
\par
!residue 35 intranucleotide\par
assi (resi 35  and name H6) (resi 35  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 35  and name H1*) (resi 35  and name H2*) 3.00 1.200 0.600\par
\par
!residue 35 internucleotide\par
assi (resi 35  and name H6) (resi 34  and name H2*) 2.000 0.200 0.500\par
assi (resi 35  and name H5) (resi 34  and name H5) 4.000 2.200 0.800\par
assi (resi 35  and name H5) (resi 34  and name H6) 4.000 2.250 0.800 \par
assi (resi 35  and name H6) (resi 34  and name H6) 5.000 3.000 1.000\par
\par
!residue 36 intranucleotide\par
assi (resi 36  and name H5) (resi 36  and name H2*) 6.000 3.000 1.000 \par
assi (resi 36  and name H6) (resi 36  and name H2*) 4.000 2.200 0.800\par
assi (resi 36  and name H6) (resi 36  and name H1*) 4.000 2.200 0.800\par
assi (resi 36  and name H5) (resi 36  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 36  and name H1*) (resi 36  and name H2*) 3.00 1.200 0.600\par
\par
!U36 inter\par
assi (resi 36  and name H2*) (resi 37  and name H8) 3.00 1.200 0.500\par
assi (resi 36  and name H5) (resi 35  and name H2*) 4.000 2.200 1.000\par
assi (resi 36  and name H5) (resi 35  and name H6) 5.000 3.200 1.000\par
assi (resi 36  and name H6) (resi 35  and name H6) 5.000 3.200 1.000\par
assi (resi 36  and name H6) (resi 37  and name H8) 5.000 3.200 1.000\par
assi (resi 36  and name H5) (resi 35  and name H5) 4.000 2.200 1.000\par
assi (resi 35  and name H1*) (resi 36  and name H6) 5.000 3.000 1.000\par
assi (resi 35  and name H2*) (resi 36  and name H6) 2.500 0.700 0.500\par
\par
!residue 37 intranucleotide\par
assi (resi 37  and name H8) (resi 37  and name H2*) 4.500 2.800 0.900 \par
assi (resi 37  and name H8) (resi 37  and name H3*) 3.500 1.700 0.700\par
assi (resi 37  and name H8) (resi 37  and name H1*) 4.000 2.200 0.800\par
assi (resi 37  and name H2) (resi 37  and name H1*) 5.000 3.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 37  and name H1*) (resi 37  and name H2*) 3.00 1.200 0.600\par
assi (resi 37  and name H1*) (resi 37  and name H3*) 4.00 2.200 0.800 \par
assi (resi 37  and name H3*) (resi 37  and name H2*) 5.000 3.200 0.800\par
!A37 inter\par
assi (resi 37  and name H1*) (resi 38  and name H8) 3.00 1.200 0.500\par
assi (resi 37  and name H2) (resi 6  and name H1*) 5.000 3.200 0.800\par
assi (resi 37  and name H2) (resi 6  and name H8) 5.000 3.200 0.800\par
assi (resi 37  and name H2) (resi 5  and name H6) 6.000 3.200 0.800\par
assi (resi 37  and name H2) (resi 6  and name H2) 5.000 3.200 0.800\par
\par
!residue 38 intranucleotide\par
assi (resi 38  and name H8) (resi 38  and name H2*) 4.500 2.800 0.900 \par
assi (resi 38  and name H8) (resi 38  and name H1*) 4.000 2.200 0.800\par
assi (resi 38  and name H2) (resi 38  and name H1*) 5.000 3.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 38  and name H1*) (resi 38  and name H2*) 3.00 1.200 0.600\par
\par
!A38 inter\par
assi (resi 38  and name H2) (resi 39  and name H1*) 4.500 2.700 0.800\par
assi (resi 38  and name H8) (resi 39  and name H8) 4.500 2.800 0.900\par
\par
!residue 39 intranucleotide  END 3* TETRALOOP RECEPTOR\par
assi (resi 39  and name H8) (resi 39  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 39  and name H1*) (resi 39  and name H2*) 3.00 1.200 0.600\par
\par
!G39 inter\par
assi (resi 39  and name H1*) (resi 38  and name H1*) 5.00 3.200 1.000\par
assi (resi 39  and name H8) (resi 38  and name H1*) 4.500 2.700 0.900\par
assi (resi 39  and name H8) (resi 38  and name H2*) 4.00 2.200 0.800\par
assi (resi 39  and name H8) (resi 38  and name H2) 5.000 3.200 1.000\par
\par
!residue 40 intranucleotide\par
assi (resi 40  and name H5) (resi 40  and name H2*) 6.000 3.000 1.000 \par
assi (resi 40  and name H6) (resi 40  and name H2*) 4.000 2.200 0.800\par
assi (resi 40  and name H6) (resi 40  and name H1*) 4.000 2.200 0.800\par
assi (resi 40  and name H5) (resi 40  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 40  and name H1*) (resi 40  and name H2*) 3.00 1.200 0.600\par
\par
!residue 40 internucleotide\par
assi (resi 40  and name H6) (resi 39  and name H1*) 4.500 2.700 0.900 \par
assi (resi 40  and name H5) (resi 39  and name H1*) 5.000 3.700 1.000  \par
assi (resi 40  and name H6) (resi 39  and name H2*) 2.500 0.700 0.400\par
assi (resi 40  and name H5) (resi 39  and name H8) 4.00 2.200 0.800\par
assi (resi 40  and name H6) (resi 39  and name H8) 5.000  3.000 1.000 \par
assi (resi 40  and name H1*) (resi 39  and name H2*) 4.500 2.800 0.900 \par
assi (resi 40  and name H1*) (resi 39  and name H1*) 6.000 3.000 1.000 \par
\par
!residue 41 intranucleotide\par
assi (resi 41  and name H6) (resi 41  and name H2*) 4.000 2.200 0.800\par
assi (resi 41  and name H6) (resi 41  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 41  and name H1*) (resi 41  and name H2*) 3.00 1.200 0.600\par
\par
!residue 41 internucleotide\par
assi (resi 41  and name H1*) (resi 40  and name H1*) 5.900 3.000 1.000 \par
assi (resi 41  and name H6) (resi  40 and name H1*) 4.500 2.800 0.900\par
assi (resi 41  and name H5) (resi  40 and name H1*) 5.000 3.000 1.000  \par
assi (resi 41  and name H6) (resi  40 and name H2*) 2.000 0.200 0.500\par
assi (resi 41  and name H5) (resi  40 and name H5) 4.000 2.200 0.800\par
assi (resi 41  and name H5) (resi  40 and name H6) 4.000 2.250 0.800 \par
assi (resi 41  and name H6) (resi  40 and name H6) 5.000 3.000 1.000 \par
\par
!residue 42 intranucleotide\par
assi (resi 42  and name H5) (resi 42  and name H2*) 6.000 3.000 1.000 \par
assi (resi 42  and name H6) (resi 42  and name H2*) 4.000 2.200 0.800\par
assi (resi 42  and name H6) (resi 42  and name H1*) 4.000 2.200 0.800\par
assi (resi 42  and name H5) (resi 42  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 42  and name H1*) (resi 42  and name H2*) 3.00 1.200 0.600\par
\par
!residue 42 internucleotide\par
assi (resi 42  and name H1*) (resi 41  and name H1*) 5.900 3.000 1.000 \par
assi (resi 42  and name H1*) (resi 41  and name H2*) 4.500 2.800 0.900 \par
assi (resi 42  and name H6) (resi  41 and name H1*) 4.500 2.800 0.900\par
assi (resi 42  and name H5) (resi  41 and name H1*) 5.000 3.000 1.000  \par
assi (resi 42  and name H5) (resi  41 and name H2*) 3.500 1.700 0.700\par
assi (resi 42  and name H6) (resi  41 and name H2*) 2.000 0.200 0.500\par
assi (resi 42  and name H5) (resi  41 and name H6) 4.000 2.250 0.800 \par
assi (resi 42  and name H6) (resi  41 and name H6) 5.000 3.000 1.000 \par
\par
!residue 43 intranucleotide\par
assi (resi 43  and name H5) (resi 43  and name H2*) 6.000 3.000 1.000 \par
assi (resi 43  and name H6) (resi 43  and name H2*) 4.000 2.200 0.800\par
assi (resi 43  and name H6) (resi 43  and name H1*) 4.000 2.200 0.800\par
assi (resi 43  and name H5) (resi 43  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 43  and name H1*) (resi 43  and name H2*) 3.00 1.200 0.600\par
assi (resi 43  and name H1*) (resi 43  and name H3*) 4.00 2.200 0.800 \par
\par
!residue 43 internucleotide\par
assi (resi 43  and name H1*) (resi 42  and name H1*) 5.900 3.000 1.000 \par
assi (resi 43  and name H6) (resi  42 and name H1*) 4.500 2.800 0.900\par
assi (resi 43  and name H5) (resi  42 and name H1*) 5.000 3.000 1.000  \par
assi (resi 43  and name H5) (resi  42 and name H2*) 3.500 1.700 0.700\par
assi (resi 43  and name H6) (resi  42 and name H2*) 2.000 0.200 0.500\par
assi (resi 43  and name H5) (resi  42 and name H5) 4.000 2.200 0.800\par
assi (resi 43  and name H5) (resi  42 and name H6) 4.000 2.250 0.800 \par
assi (resi 43  and name H6) (resi  42 and name H6) 5.000 3.000 1.000 \par
\par
\par
!non-exchangeable NOEs molecule B\par
\par
!residue 44  intranucleotide \par
assi (resi 44  and name H8) (resi 44  and name H4*) 4.500 2.800 0.900 \par
assi (resi 44  and name H8) (resi 44  and name H2*) 4.500 2.800 0.900 \par
assi (resi 44  and name H8) (resi 44  and name H3*) 3.500 1.700 0.700\par
assi (resi 44  and name H8) (resi 44  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 44 and name H1*) (resi 44 and name H2*) 3.00 1.200 0.600\par
assi (resi 44 and name H1*) (resi 44 and name H3*) 4.00 2.200 0.800 \par
assi (resi 44 and name H1*) (resi 44 and name H4*) 3.50 1.700 0.700\par
assi (resi 44 and name H3*) (resi 44 and name H2*) 3.00 1.200 0.600\par
\par
!residue 45 intranucleotide\par
assi (resi 45  and name H8) (resi 45  and name H2*) 4.500 2.800 0.900 \par
assi (resi 45  and name H8) (resi 45  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 45 and name H1*) (resi 45 and name H2*) 3.00 1.200 0.600\par
\par
!residue 45 internucleotide\par
assi (resi 45  and name H8) (resi 44   and name H2*) 2.000 0.200 0.500\par
assi (resi 45  and name H8) (resi 44  and name H1*) 4.50 2.700 0.900 \par
assi (resi 45  and name H1*) (resi 44  and name H2*) 4.50 2.700 0.900 \par
\par
!residue 46 intranucleotide\par
assi (resi 46  and name H8) (resi 46  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 46 and name H1*) (resi 46 and name H2*) 3.00 1.200 0.600\par
\par
!residue 46 internucleotide\par
assi (resi 46  and name H8) (resi 45   and name H2*) 2.000 0.200 0.500\par
assi (resi 46  and name H8) (resi 45   and name H8) 5.000 3.200 1.000 \par
assi (resi 46  and name H8) (resi 45  and name H1*) 4.50 2.700 0.900 \par
assi (resi 46  and name H1*) (resi 45  and name H2*) 4.50 2.700 0.900 \par
assi (resi 46  and name H1*) (resi 45  and name H1*) 6.000 3.000 1.000\par
\par
!residue 47  intranucleotide\par
assi (resi 47 and name H8) (resi 47 and name H2*) 4.500 2.800 0.900 \par
assi (resi 47 and name H8) (resi 47 and name H1*) 4.000 2.200 0.800\par
assi (resi 47 and name H2) (resi 47 and name H1*) 5.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 47 and name H1*) (resi 47 and name H2*) 3.00 1.200 0.600\par
\par
!residue 47  internucleotide\par
assi (resi  47 and name H8) (resi 46 and name H2*) 2.000 0.200 0.500\par
assi (resi  47 and name H8) (resi 46 and name H8) 5.000 3.200 1.000 \par
assi (resi  47 and name H8) (resi 46 and name H1*) 4.50 2.700 0.900 \par
assi (resi  47 and name H1*) (resi 46 and name H2*) 4.50 2.700 0.900 \par
assi (resi  47 and name H1*) (resi 46 and name H1*) 6.000 3.000 1.000\par
assi (resi  47 and name H2) (resi 48 and name H1*) 4.000 3.000 1.000\par
assi (resi  47 and name H2) (resi 84  and name H1*) 4.000 3.000 1.000\par
\par
!residue 48   intranucleotide \par
assi (resi 48 and name H5) (resi 48 and name H2*) 6.000 3.000 1.000 \par
assi (resi 48 and name H6) (resi 48 and name H2*) 4.000 2.200 0.800\par
assi (resi 48 and name H6) (resi 48 and name H1*) 4.000 2.200 0.800\par
assi (resi 48 and name H5) (resi 48 and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 48 and name H1*) (resi 48 and name H2*) 3.00 1.200 0.600\par
assi (resi 48 and name H1*) (resi 48 and name H3*) 4.00 2.200 0.800 \par
assi (resi 48 and name H1*) (resi 48 and name H4*) 3.50 1.700 0.700\par
\par
!residue 48   internucleotide 5* TETRALOOP RECEPTOR BEGINNING\par
assi (resi 48 and name H6) (resi 47 and name H1*) 4.500 2.700 0.900 \par
assi (resi 48 and name H5) (resi 47 and name H1*) 5.000 3.700 1.000  \par
assi (resi 48 and name H5) (resi 47 and name H2*) 3.500 1.800 0.700\par
assi (resi 48 and name H6) (resi 47 and name H2*) 2.000 0.200 0.500\par
assi (resi 48 and name H5) (resi 47 and name H8) 4.00 2.200 0.800\par
assi (resi 48 and name H6) (resi 47 and name H8) 5.000  3.000 1.000 \par
assi (resi 48 and name H1*) (resi 47 and name H2*) 4.500 2.800 0.900 \par
assi (resi 48 and name H1*) (resi 47 and name H1*) 6.000 3.000 1.000\par
assi (resi 48 and name H2*) (resi 80 and name H2) 4.500 2.800 0.900\par
assi (resi 48 and name H1*) (resi 80 and name H2) 4.500 2.800 0.900\par
\par
!residue 49intranucleotide\par
assi (resi 49 and name H8) (resi 49 and name H2*) 4.500 2.800 0.900 \par
assi (resi 49 and name H8) (resi 49 and name H3*) 3.500 1.700 0.700\par
assi (resi 49 and name H8) (resi 49 and name H1*) 4.000 2.200 0.800\par
assi (resi 49 and name H2) (resi 49 and name H1*) 5.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 49 and name H1*) (resi 49 and name H2*) 3.00 1.200 0.600\par
assi (resi 49 and name H1*) (resi 49 and name H3*) 4.00 2.200 0.800 \par
assi (resi 49 and name H1*) (resi 49 and name H4*) 3.50 1.700 0.700\par
assi (resi 49 and name H2*) (resi 49 and name H3*) 3.50 1.700 0.700\par
\par
!residue 49internucleotide\par
assi (resi 49 and name H8) (resi 48 and name H2*) 5.000 3.200 0.900\par
assi (resi 49 and name H1*) (resi 51 and name H8) 4.500 2.700 0.900\par
assi (resi 49 and name H1*) (resi 80 and name H2) 5.000 3.200 0.900\par
assi (resi 49 and name H8) (resi 51 and name H8) 5.000 3.200 0.900\par
assi (resi 49 and name H2) (resi 51 and name H8) 5.000 3.200 0.900\par
assi (resi 49 and name H8) (resi 51 and name H8) 5.000 3.200 0.900\par
assi (resi 49 and name H2*) (resi 51 and name H8) 4.500 2.700 0.900\par
assi (resi 49 and name H2) (resi 81 and name H2) 4.500 2.700 0.900\par
assi (resi 49 and name H2) (resi 51 and name H1*) 4.500 2.700 0.900\par
\par
!residue 50intranucleotide\par
assi (resi 50 and name H5) (resi 50 and name H2*) 6.000 3.000 1.000 \par
assi (resi 50 and name H6) (resi 50 and name H2*) 4.000 2.200 0.800\par
assi (resi 50 and name H6) (resi 50 and name H1*) 4.000 2.200 0.800\par
assi (resi 50 and name H5) (resi 50 and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 50 and name H1*) (resi 50 and name H2*) 3.00 1.200 0.600\par
assi (resi 50 and name H1*) (resi 50 and name H3*) 4.00 2.200 0.800 \par
assi (resi 50 and name H2*) (resi 50 and name H3*) 3.00 1.200 0.700\par
\par
!residue 50internucleotide\par
assi (resi 50 and name H5) (resi 49 and name H2) 5.500 3.200 1.000 \par
assi (resi 50 and name H5) (resi 49 and name H2*) 5.500 3.700 1.000  \par
assi (resi 50 and name H5) (resi 49 and name H1*) 5.500 3.200 1.000\par
assi (resi 50 and name H6) (resi 49 and name H1*) 5.500 3.800 1.000\par
assi (resi 50 and name H3*) (resi 49 and name H1*) 5.500 3.200 0.900\par
assi (resi 50 and name H2*) (resi 49 and name H1*) 5.000 3.200 1.000\par
assi (resi 50 and name H2*) (resi 49 and name H2) 5.500 3.200 0.900\par
assi (resi 50 and name H2*) (resi 49 and name H8) 5.500 3.200 0.900\par
assi (resi 50 and name H1*) (resi 49 and name H1*) 5.500 3.800 0.900 \par
assi (resi 50 and name H1*) (resi 49 and name H1*) 5.500 3.800 0.900 \par
\par
!residue 51  intranucleotide\par
assi (resi 51 and name H8) (resi 51 and name H2*) 4.500 2.800 0.900 \par
assi (resi 51 and name H8) (resi 51 and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 51 and name H1*) (resi 51 and name H2*) 3.00 1.200 0.600\par
\par
!G8 internucleotide\par
assi (resi 51 and name H8) (resi 50 and name H2*) 6.00 3.200 1.000\par
assi (resi 51 and name H8) (resi 50 and name H6) 6.00 3.200 1.000\par
assi (resi 51 and name H2*) (resi 50 and name H6) 6.00 3.200 1.000\par
\par
!residue 52  intranucleotide\par
assi (resi 52 and name H8) (resi 52 and name H2*) 4.500 2.800 0.900 \par
assi (resi 52 and name H8) (resi 52 and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 52 and name H1*) (resi 52 and name H2*) 3.00 1.200 0.600\par
\par
!residue 52   internucleotide  END 5* TETRALOOP RECEPTOR\par
assi (resi 52 and name H8) (resi 51 and name H2*) 2.000 0.200 0.500\par
assi (resi 52 and name H8) (resi 51 and name H8) 5.000 3.200 1.000 \par
assi (resi 52 and name H8) (resi 51 and name H1*) 4.50 2.700 0.900 \par
assi (resi 52 and name H1*) (resi 51 and name H2*) 4.50 2.700 0.900 \par
assi (resi 52 and name H1*) (resi 51  and name H1*) 6.000 3.000 1.000\par
\par
\par
!residue 53   intranucleotide\par
assi (resi 53  and name H8) (resi 53  and name H2*) 4.500 2.800 0.900 \par
assi (resi 53  and name H8) (resi 53  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 53  and name H1*) (resi  53 and name H2*) 3.00 1.200 0.600\par
\par
!residue 53    internucleotide\par
assi (resi  53 and name H8) (resi 52 and name H2*) 2.000 0.200 0.500\par
assi (resi  53 and name H8) (resi 52 and name H8) 5.000 3.200 1.000 \par
assi (resi  53 and name H8) (resi 52 and name H1*) 4.50 2.700 0.900 \par
assi (resi  53 and name H1*) (resi 52 and name H2*) 4.50 2.700 0.900 \par
assi (resi  53 and name H2) (resi 77  and name H1*) 4.50 2.700 0.900 \par
assi (resi  53 and name H2) (resi 77  and name H6) 5.000 3.200 1.000 \par
\par
!residue 54   intranucleotide\par
assi (resi 54  and name H8) (resi 54  and name H2*) 4.500 2.800 0.900 \par
assi (resi 54  and name H8) (resi 54  and name H1*) 4.000 2.200 0.800\par
assi (resi 54  and name H2) (resi 54  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 54  and name H1*) (resi  54 and name H2*) 3.00 1.200 0.600\par
\par
!residue 54    internucleotide\par
assi (resi  54 and name H8) (resi 53  and name H2*) 2.000 0.200 0.500\par
assi (resi  54 and name H8) (resi 53  and name H8) 5.000 3.200 1.000 \par
assi (resi  54 and name H8) (resi 53  and name H1*) 4.50 2.700 0.900 \par
assi (resi  54 and name H8) (resi 53  and name H2) 6.000 3.000 1.000 \par
assi (resi  54 and name H1*) (resi 53  and name H2*) 4.50 2.700 0.900 \par
assi (resi  54 and name H1*) (resi 53   and name H1*) 6.000 3.000 1.000\par
assi (resi  54 and name H1*) (resi 53  and name H2) 4.50 2.700 0.900 \par
assi (resi  54 and name H2) (resi 55  and name H1*) 4.50 2.700 0.900\par
assi (resi  54 and name H2) (resi 76  and name H1*) 4.50 2.700 0.900  \par
assi (resi  54 and name H2) (resi 76  and name H6) 6.000 3.000 1.000 \par
assi (resi  54 and name H2) (resi 53  and name H2) 5.000 3.200 1.000 \par
\par
!residue 55    intranucleotide\par
assi (resi 55  and name H8) (resi  55 and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi  55 and name H1*) (resi 55  and name H2*) 3.00 1.200 0.600\par
\par
!residue 55    internucleotide\par
assi (resi  55 and name H8) (resi  54 and name H1*) 4.500 2.700 0.900 \par
assi (resi  55 and name H8) (resi  54 and name H2*) 3.500 1.800 0.700\par
assi (resi  55 and name H8) (resi  54 and name H8) 5.000  3.000 1.000 \par
assi (resi  55 and name H1*) (resi  54 and name H2*) 4.500 2.800 0.900 \par
assi (resi  55 and name H1*) (resi  54 and name H1*) 6.000 3.000 1.000\par
assi (resi  55 and name H8) (resi  54 and name H2) 6.000 3.000 1.000\par
\par
!residue 56 intranucleotide\par
assi (resi 56  and name H8) (resi 56  and name H2*) 4.500 2.800 0.900 \par
assi (resi 56  and name H8) (resi 56  and name H1*) 4.000 2.200 0.800\par
assi (resi 56  and name H2) (resi 56  and name H1*) 5.000 3.200 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 56  and name H1*) (resi 56  and name H2*) 3.00 1.200 0.600\par
\par
!residue 56 internulceotide\par
assi (resi 56  and name H8) (resi 55  and name H2*) 2.000 0.200 0.500\par
assi (resi 56  and name H8) (resi 55  and name H1*) 4.50 2.700 0.900 \par
assi (resi 56  and name H1*) (resi 55  and name H2*) 4.50 2.700 0.900 \par
assi (resi 56 and name H1*) (resi  55 and name H1*) 6.000 3.000 1.000\par
assi (resi 56 and name H2) (resi 74  and name H1*) 4.50 2.700 0.900  \par
assi (resi 56 and name H2) (resi 56  and name H8) 6.00 3.000 1.000  \par
assi (resi 56 and name H2) (resi 74  and name H6) 6.00 3.000 1.000\par
\par
!residue 57 intranucleotide\par
assi (resi 57  and name H8) (resi 57  and name H1*) 4.000 2.200 0.800\par
assi (resi 57  and name H2) (resi 57  and name H1*) 6.00 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 57  and name H1*) (resi 57  and name H2*) 3.00 1.200 0.600\par
\par
!residue 57 internucleotide\par
assi (resi  57 and name H8) (resi 56  and name H2*) 2.000 0.200 0.500\par
assi (resi  57 and name H8) (resi 56  and name H8) 5.000 3.200 1.000 \par
assi (resi  57 and name H8) (resi  56 and name H1*) 4.50 2.700 0.900 \par
assi (resi  57 and name H8) (resi 56  and name H2) 6.00 3.000 1.000  \par
assi (resi  57 and name H1*) (resi 56  and name H2*) 4.50 2.700 0.900 \par
assi (resi  57 and name H1*) (resi 56  and name H1*) 6.000 3.000 1.000\par
assi (resi  57 and name H1*) (resi 56  and name H2) 4.50 2.700 0.900\par
assi (resi  57 and name H2) (resi 58  and name H1*) 4.50 2.700 0.900 \par
assi (resi  57 and name H2) (resi 73  and name H1*) 4.50 2.700 0.900  \par
assi (resi  57 and name H2) (resi 56  and name H2) 6.00 3.000 1.000  \par
assi (resi  57 and name H2) (resi 73  and name H6) 6.00 3.000 1.000  \par
\par
!residue 58 intranucleotide\par
assi (resi 58  and name H5) (resi  58 and name H2*) 6.000 3.000 1.000 \par
assi (resi 58  and name H6) (resi  58 and name H2*) 4.000 2.200 0.800\par
assi (resi 58  and name H6) (resi  58 and name H1*) 4.000 2.200 0.800\par
assi (resi 58  and name H5) (resi  58 and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi  58 and name H1*) (resi 58  and name H2*) 3.00 1.200 0.600\par
\par
!residue 58 internucleotide\par
assi (resi 58  and name H6) (resi 57  and name H1*) 4.500 2.700 0.900 \par
assi (resi 58  and name H5) (resi 57  and name H1*) 5.000 3.700 1.000  \par
assi (resi 58  and name H5) (resi 57  and name H2*) 3.500 1.800 0.700\par
assi (resi 58  and name H6) (resi 57  and name H2*) 2.000 0.200 0.500\par
assi (resi 58  and name H5) (resi 57  and name H8) 4.00 2.200 0.800\par
assi (resi 58  and name H6) (resi 57  and name H8) 5.000  3.000 1.000 \par
assi (resi 58  and name H1*) (resi 57  and name H2*) 4.500 2.800 0.900 \par
assi (resi 58  and name H1*) (resi 57 and name H1*) 6.000 3.000 1.000 \par
assi (resi 58  and name H5) (resi 57  and name H2) 5.000  3.200 1.000 \par
\par
!residue 59 intranucleotide\par
assi (resi 59  and name H5) (resi 59  and name H2*) 6.000 3.000 1.000 \par
assi (resi 59  and name H6) (resi 59  and name H3*) 3.000 1.200 0.600\par
assi (resi 59  and name H6) (resi 59  and name H1*) 4.000 2.200 0.800\par
assi (resi 59  and name H5) (resi 59  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 59  and name H1*) (resi 59  and name H2*) 3.00 1.200 0.600\par
\par
!residue 59 internucleotide\par
assi (resi 59  and name H1*) (resi 58  and name H1*) 5.900 3.000 1.000 \par
assi (resi 59  and name H1*) (resi 58  and name H2*) 4.500 2.800 0.900 \par
assi (resi 59  and name H6) (resi 58  and name H1*) 4.500 2.800 0.900\par
assi (resi 59  and name H5) (resi 58  and name H1*) 5.000 3.000 1.000  \par
assi (resi 59  and name H5) (resi 58  and name H2*) 3.500 1.700 0.700\par
assi (resi 59  and name H6) (resi 58  and name H2*) 2.000 0.200 0.500\par
assi (resi 59  and name H5) (resi 58  and name H5) 4.000 2.200 0.800\par
assi (resi 59  and name H5) (resi 58  and name H6) 4.000 2.250 0.800 \par
assi (resi 59  and name H6) (resi 58  and name H6) 5.000 3.000 1.000\par
assi (resi 59  and name H6) (resi 58  and name H5) 5.000 3.000 1.000\par
\par
!residue 60 intranucleotide\par
assi (resi 60  and name H8) (resi 60  and name H2*) 4.500 2.800 0.900 \par
assi (resi 60  and name H8) (resi 60  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 60  and name H1*) (resi 60  and name H2*) 3.00 1.200 0.600\par
\par
!residue 60 internulceotide\par
assi (resi 60  and name H8) (resi 59  and name H2*) 2.000 0.200 0.500\par
assi (resi 60  and name H8) (resi 59  and name H6) 5.000 3.200 1.000 \par
assi (resi 60  and name H8) (resi 59  and name H5) 6.000 3.000 1.000\par
assi (resi 60  and name H8) (resi 59  and name H1*) 4.50 2.700 0.900 \par
assi (resi 60  and name H1*) (resi 59  and name H2*) 4.50 2.700 0.900 \par
assi (resi 60  and name H1*) (resi 59  and name H1*) 6.000 3.000 1.000\par
\par
!residue 61 intranucleotide\par
assi (resi 61  and name H8) (resi 61  and name H2*) 4.500 2.800 0.900 \par
assi (resi 61  and name H8) (resi 61  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 61  and name H1*) (resi 61  and name H2*) 3.00 1.200 0.600\par
\par
!residue 61 internucleotide\par
assi (resi 61  and name H8) (resi 60  and name H2*) 2.000 0.200 0.500\par
assi (resi 61  and name H8) (resi 60  and name H8) 5.000 3.200 1.000 \par
assi (resi 61  and name H8) (resi 60  and name H1*) 4.50 2.700 0.900 \par
assi (resi  61 and name H1*) (resi 60  and name H2*) 4.50 2.700 0.900 \par
assi (resi  61 and name H1*) (resi 60  and name H1*) 6.000 3.000 1.000\par
\par
!residue 62 intranucleotide\par
assi (resi 62  and name H8) (resi 62  and name H2*) 4.500 2.800 0.900 \par
assi (resi 62  and name H8) (resi 62  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 62  and name H1*) (resi 62  and name H2*) 3.00 1.200 0.600\par
\par
!residue 62 internucleotide\par
assi (resi 62  and name H8) (resi 61  and name H2*) 2.000 0.200 0.500\par
assi (resi 62  and name H8) (resi 61  and name H1*) 4.50 2.700 0.900 \par
assi (resi  62 and name H1*) (resi 61  and name H2*) 4.50 2.700 0.900 \par
assi (resi  62 and name H1*) (resi 61  and name H1*) 6.000 3.000 1.000\par
assi (resi  62 and name H2*) (resi 63  and name H8) 3.000 1.200 0.600\par
\par
!G20 intra\par
assi (resi 63  and name H8) (resi 63  and name H2*) 4.500 2.800 0.900 \par
assi (resi 63  and name H8) (resi 63  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 63  and name H1*) (resi 63  and name H2*) 3.00 1.200 0.600\par
\par
!GAAA TETRALOOP BEGIN\par
\par
!G20 inter\par
assi (resi 63 and  name H2*) (resi 65  and name H8) 5.00 3.000 1.000\par
assi (resi 63 and  name H8) (resi 62  and name H8) 5.00 3.000 1.000\par
assi (resi 63 and  name H1*) (resi 62  and name H1*) 5.00 3.000 1.000\par
assi (resi 63 and  name H2*) (resi 62  and name H2*) 5.000 2.000 1.000\par
\par
!A21 intra\par
assi (resi 64  and name H8) (resi 64  and name H2*) 4.500 2.800 0.900 \par
assi (resi 64  and name H8) (resi 64  and name H1*) 4.000 2.200 0.800\par
assi (resi 64 and name H1*) (resi 64  and name H2) 5.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 64  and name H1*) (resi 64  and name H2*) 3.00 1.200 0.600\par
\par
!21 inter\par
assi (resi 64 and  name H1*) (resi 65  and name H1*) 5.00 3.000 1.000\par
assi (resi 64 and  name H2) (resi 65  and name H2) 5.00 3.000 1.000\par
assi (resi 64 and  name H8) (resi 65  and name H8) 6.00 3.000 1.000\par
assi (resi 64 and  name H2*) (resi 65  and name H8) 3.00 1.200 0.600\par
assi (resi 64 and  name H2) (resi 65  and name H1*) 3.00 1.200 0.600\par
assi (resi 64 and  name H2*) (resi 65 and name H1*) 5.00 3.000 1.000\par
\par
!A22 intra\par
assi (resi 65  and name H8) (resi 65  and name H2*) 4.500 2.800 0.900 \par
assi (resi 65  and name H8) (resi 65  and name H1*) 4.000 2.200 0.800\par
assi (resi 65  and name H2) (resi 65  and name H1*) 5.000 3.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 65  and name H1*) (resi 65  and name H2*) 3.00 1.200 0.600\par
\par
!22 inter\par
assi (resi 66 and  name H2) (resi 65  and name H2) 4.00 2.200 1.000\par
assi (resi 66 and  name H8) (resi 65  and name H8) 6.00 3.000 1.000\par
assi (resi 66 and  name H1*) (resi 65  and name H2) 5.00 3.200 1.000\par
assi (resi 65 and  name H2*) (resi 66  and name H8) 4.00 2.200 1.000\par
assi (resi 65 and  name H1*) (resi 64  and name H8) 5.00 3.200 1.000\par
assi (resi 65 and  name H1*) (resi 66  and name H8) 5.00 3.200 1.000\par
\par
!A23 intra\par
assi (resi 66  and name H8) (resi 66  and name H2*) 4.500 2.800 0.900 \par
assi (resi 66  and name H8) (resi 66  and name H1*) 4.000 2.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 66  and name H1*) (resi 66  and name H2*) 3.00 1.200 0.600\par
\par
!23 inter\par
assi (resi 66  and name H8) (resi 67  and name H6) 4.000 2.200 0.800\par
assi (resi 66  and name H8) (resi 67  and name H5) 4.000 2.200 0.800\par
assi (resi 66  and name H2*) (resi 67  and name H6) 4.000 2.200 0.800\par
assi (resi 66  and name H8) (resi 67  and name H1*) 5.000 3.200 0.800 \par
assi (resi 66  and name H1*) (resi 67  and name H1*) 6.000 3.200 0.800\par
assi (resi 66  and name H1*) (resi 67  and name H5) 6.000 3.200 0.800\par
assi (resi 66  and name H2*) (resi 65  and name H2) 4.500 2.700 0.900\par
assi (resi 66  and name H2*) (resi 67  and name H1*) 5.000 3.200 1.000\par
assi (resi 67  and name H1*) (resi 66  and name H2) 5.000 3.200 1.000\par
 \par
!GAAA TETRALOOP END\par
\par
!residue 67 intranucleotide\par
assi (resi 67  and name H5) (resi 67  and name H2*) 6.000 3.000 1.000 \par
assi (resi 67  and name H6) (resi 67  and name H2*) 4.000 2.200 0.800\par
assi (resi 67  and name H6) (resi 67  and name H3*) 3.000 1.200 0.600\par
assi (resi 67  and name H6) (resi 67  and name H1*) 4.000 2.200 0.800\par
assi (resi 67  and name H5) (resi 67  and name H1*) 6.000 3.000 1.000\par
assi (resi 67  and name H5) (resi 67  and name H3*) 6.000 3.000 1.000\par
assi (resi 67  and name H5) (resi 67  and name H4*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 67  and name H1*) (resi 67  and name H2*) 3.00 1.200 0.600\par
assi (resi 67  and name H1*) (resi 67  and name H3*) 4.00 2.200 0.800 \par
assi (resi 67  and name H1*) (resi 67  and name H4*) 3.50 1.700 0.700\par
assi (resi 67  and name H2*) (resi 67  and name H3*) 4.50 2.700 0.900\par
assi (resi 67  and name H3*) (resi 67  and name H4*) 4.50 2.700 0.900\par
\par
!C24 inter noes listed at 66 and 25\par
\par
!residue 68 intranucleotide\par
assi (resi 68  and name H5) (resi 68  and name H2*) 6.000 3.000 1.000 \par
assi (resi 68  and name H6) (resi 68  and name H2*) 4.000 2.200 0.800\par
assi (resi 68  and name H6) (resi 68  and name H1*) 4.000 2.200 0.800\par
assi (resi 68  and name H5) (resi 68  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 68  and name H1*) (resi 68  and name H2*) 3.00 1.200 0.600\par
\par
!residue 68 internucleotide\par
assi (resi 68  and name H1*) (resi 67  and name H1*) 5.900 3.000 1.000 \par
assi (resi 68  and name H1*) (resi 67  and name H2*) 4.500 2.800 0.900 \par
assi (resi 68  and name H6) (resi 67  and name H1*) 4.500 2.800 0.900\par
assi (resi 68  and name H5) (resi 67  and name H1*) 5.000 3.000 1.000  \par
assi (resi 68  and name H5) (resi 67  and name H2*) 3.500 1.700 0.700\par
assi (resi 68  and name H6) (resi 67  and name H2*) 2.000 0.200 0.500\par
assi (resi 68  and name H6) (resi 67  and name H3*) 3.500 1.700 0.700\par
assi (resi 68  and name H5) (resi 67  and name H3*) 3.500 1.700 0.700\par
assi (resi 68  and name H5) (resi 67  and name H5) 4.000 2.200 0.800\par
assi (resi 68  and name H5) (resi 67  and name H6) 4.000 2.250 0.800 \par
assi (resi 68  and name H6) (resi 67  and name H6) 5.000 3.000 1.000 \par
assi (resi 68  and name H6) (resi 67  and name H5) 4.500 2.800 0.900\par
\par
!residue 69 intranucleotide\par
assi (resi 69  and name H6) (resi 69  and name H2*) 4.000 2.200 0.800\par
assi (resi 69  and name H6) (resi 69  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 69  and name H1*) (resi 69  and name H2*) 3.00 1.200 0.600\par
\par
!residue 69 internucleotide\par
assi (resi 69  and name H1*) (resi 68  and name H1*) 5.900 3.000 1.000 \par
assi (resi 69  and name H1*) (resi 68  and name H2*) 4.500 2.800 0.900 \par
assi (resi 69  and name H6) (resi 68  and name H1*) 4.500 2.800 0.900\par
assi (resi 69  and name H5) (resi 68  and name H1*) 5.000 3.000 1.000  \par
assi (resi 69  and name H6) (resi 68  and name H2*) 2.000 0.200 0.500\par
assi (resi 69  and name H5) (resi 68  and name H5) 4.000 2.200 0.800\par
assi (resi 69  and name H5) (resi 68  and name H6) 4.000 2.250 0.800 \par
assi (resi 69  and name H2*) (resi 68  and name H2*) 4.000 2.200 0.800 \par
\par
!residue 70 intranucleotide\par
assi (resi 70  and name H8) (resi 70  and name H2*) 4.500 2.800 0.900 \par
assi (resi 70  and name H8) (resi 70  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 70  and name H1*) (resi  70 and name H2*) 3.00 1.200 0.600\par
\par
!residue 70 internulceotide\par
assi (resi  70 and name H8) (resi  69 and name H2*) 2.000 0.200 0.500\par
assi (resi  70 and name H8) (resi  69 and name H6) 5.000 3.200 1.000 \par
assi (resi  70 and name H8) (resi  69 and name H1*) 4.50 2.700 0.900 \par
assi (resi  70 and name H1*) (resi 69  and name H2*) 4.50 2.700 0.900 \par
assi (resi  70 and name H1*) (resi 69  and name H1*) 6.000 3.000 1.000\par
assi (resi  70 and name H1*) (resi 69  and name H5) 6.000 3.000 1.000\par
\par
!residue 71 intranucleotide\par
assi (resi 71  and name H8) (resi 71  and name H2*) 4.500 2.800 0.900 \par
assi (resi 71  and name H8) (resi 71  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 71  and name H1*) (resi 71  and name H2*) 3.00 1.200 0.600\par
assi (resi 71  and name H1*) (resi 71  and name H3*) 4.00 2.200 0.800 \par
assi (resi 71  and name H1*) (resi 71  and name H4*) 3.50 1.700 0.700\par
assi (resi 71  and name H1*) (resi 71  and name H5**) 6.00 3.000 1.000\par
\par
!residue 71 internucleotide\par
assi (resi 71  and name H8) (resi  70 and name H2*) 2.000 0.200 0.500\par
assi (resi 71  and name H8) (resi  70 and name H8) 5.000 3.200 1.000 \par
assi (resi 71  and name H8) (resi  70 and name H1*) 4.50 2.700 0.900 \par
\par
!residue 72 intranucleotide\par
assi (resi 72  and name H5) (resi 72  and name H2*) 6.000 3.000 1.000 \par
assi (resi 72  and name H6) (resi 72  and name H1*) 4.000 2.200 0.800\par
assi (resi 72  and name H5) (resi 72  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 72  and name H1*) (resi  72 and name H2*) 3.00 1.200 0.600\par
\par
!residue 72 internucleotide\par
assi (resi 72  and name H6) (resi  71 and name H1*) 4.500 2.700 0.900 \par
assi (resi 72  and name H5) (resi  71 and name H1*) 5.000 3.700 1.000  \par
assi (resi 72  and name H5) (resi  71 and name H2*) 3.500 1.800 0.700\par
assi (resi 72  and name H6) (resi  71 and name H2*) 2.000 0.200 0.500\par
assi (resi 72  and name H5) (resi  71 and name H8) 4.00 2.200 0.800\par
assi (resi 72  and name H6) (resi  71 and name H8) 5.000  3.000 1.000 \par
assi (resi 72  and name H1*) (resi 71  and name H2*) 4.500 2.800 0.900 \par
assi (resi 72  and name H1*) (resi 71  and name H1*) 6.000 3.000 1.000 \par
\par
!residue 73 intranucleotide\par
assi (resi 73  and name H5) (resi 73  and name H2*) 6.000 3.000 1.000 \par
assi (resi 73  and name H6) (resi 73  and name H2*) 4.000 2.200 0.800\par
assi (resi 73  and name H6) (resi 73  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 73  and name H1*) (resi 73  and name H2*) 3.00 1.200 0.600\par
\par
!residue 73 internucleotide\par
assi (resi 73  and name H1*) (resi 72  and name H1*) 5.900 3.000 1.000 \par
assi (resi 73  and name H1*) (resi 72  and name H2*) 4.500 2.800 0.900 \par
assi (resi 73  and name H6) (resi  72 and name H1*) 4.500 2.800 0.900\par
assi (resi 73  and name H5) (resi  72 and name H1*) 5.000 3.000 1.000  \par
assi (resi  73 and name H6) (resi 72  and name H2*) 2.000 0.200 0.500\par
assi (resi  73 and name H5) (resi  72 and name H5) 4.000 2.200 0.800\par
assi (resi  73 and name H5) (resi 72  and name H6) 4.000 2.250 0.800 \par
assi (resi  73 and name H6) (resi 72  and name H6) 5.000 3.000 1.000 \par
assi (resi 73  and name H1*) (resi 56  and name H2) 5.000 3.000 1.000 \par
\par
!residue 74 intranucleotide\par
assi (resi 74  and name H5) (resi 74  and name H2*) 6.000 3.000 1.000 \par
assi (resi 74  and name H6) (resi 74  and name H2*) 4.000 2.200 0.800\par
assi (resi 74  and name H6) (resi 74  and name H1*) 4.000 2.200 0.800\par
assi (resi 74  and name H5) (resi 74  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 74  and name H1*) (resi 74  and name H2*) 3.00 1.200 0.600\par
\par
!residue 74 internucleotide\par
assi (resi 74  and name H1*) (resi 73  and name H1*) 5.900 3.000 1.000 \par
assi (resi 74  and name H1*) (resi 73  and name H2*) 4.500 2.800 0.900 \par
assi (resi 74  and name H6) (resi 73  and name H1*) 4.500 2.800 0.900\par
assi (resi 74  and name H5) (resi 73  and name H1*) 5.000 3.000 1.000  \par
assi (resi 74  and name H6) (resi 73  and name H2*) 2.000 0.200 0.500\par
assi (resi 74  and name H5) (resi 73  and name H6) 4.000 2.250 0.800 \par
assi (resi 74  and name H6) (resi 73  and name H6) 5.000 3.000 1.000 \par
assi (resi 74  and name H6) (resi 73  and name H5) 5.000 3.000 1.000 \par
\par
!residue 75 intranucleotide\par
assi (resi 75  and name H5) (resi 75  and name H2*) 6.000 3.000 1.000 \par
assi (resi 75  and name H6) (resi 75  and name H2*) 4.000 2.200 0.800\par
assi (resi 75  and name H6) (resi 75  and name H1*) 4.000 2.200 0.800\par
assi (resi 75  and name H5) (resi 75  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 75  and name H1*) (resi 75  and name H2*) 3.00 1.200 0.600\par
\par
!residue 75 internucleotide\par
assi (resi 75  and name H1*) (resi 74  and name H1*) 5.900 3.000 1.000 \par
assi (resi 75  and name H1*) (resi 74  and name H2*) 4.500 2.800 0.900 \par
assi (resi 75  and name H6) (resi 74  and name H1*) 4.500 2.800 0.900\par
assi (resi 75  and name H5) (resi 74  and name H1*) 5.000 3.000 1.000  \par
assi (resi 75  and name H5) (resi 74  and name H2*) 3.500 1.700 0.700\par
assi (resi 75  and name H6) (resi 74  and name H2*) 2.000 0.200 0.500\par
assi (resi 75  and name H5) (resi 74  and name H5) 4.000 2.200 0.800\par
assi (resi 75  and name H5) (resi 74  and name H6) 4.000 2.250 0.800 \par
assi (resi 75  and name H6) (resi 74  and name H6) 5.000 3.000 1.000 \par
\par
!residue 76 intranucleotide\par
assi (resi 76  and name H5) (resi 76  and name H2*) 6.000 3.000 1.000 \par
assi (resi 76  and name H6) (resi 76  and name H2*) 4.000 2.200 0.800\par
assi (resi 76  and name H6) (resi 76  and name H1*) 4.000 2.200 0.800\par
assi (resi 76  and name H5) (resi 76  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 76  and name H1*) (resi 76  and name H2*) 3.00 1.200 0.600\par
\par
!residue 76 internucleotide\par
assi (resi 76  and name H1*) (resi 75  and name H1*) 5.900 3.000 1.000 \par
assi (resi 76  and name H1*) (resi 75  and name H2*) 4.500 2.800 0.900 \par
assi (resi 76  and name H6) (resi 75  and name H1*) 4.500 2.800 0.900\par
assi (resi 76  and name H5) (resi 75  and name H1*) 5.000 3.000 1.000  \par
assi (resi 76  and name H5) (resi 75  and name H2*) 3.500 1.700 0.700\par
assi (resi 76  and name H6) (resi 75  and name H2*) 2.000 0.200 0.500\par
assi (resi 76  and name H5) (resi 75  and name H5) 4.000 2.200 0.800\par
assi (resi 76  and name H5) (resi 75  and name H6) 4.000 2.250 0.800 \par
assi (resi 76  and name H6) (resi 75  and name H6) 5.000 3.000 1.000\par
assi (resi 76  and name H1*) (resi 53  and name H2) 4.500 2.700 1.000\par
\par
!residue 77 intranucleotide  3* TETRALOOP RECEPTOR BEGINNING\par
assi (resi 77  and name H5) (resi 77  and name H2*) 6.000 3.000 1.000 \par
assi (resi 77  and name H6) (resi 77  and name H2*) 4.000 2.200 0.800\par
assi (resi 77  and name H6) (resi 77  and name H1*) 4.000 2.200 0.800\par
assi (resi 77  and name H5) (resi 77  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 77  and name H1*) (resi 77  and name H2*) 3.00 1.200 0.600\par
\par
!residue 77 internucleotide\par
assi (resi 77  and name H1*) (resi 76  and name H1*) 5.900 3.000 1.000 \par
assi (resi 77  and name H1*) (resi 76  and name H2*) 4.500 2.800 0.900 \par
assi (resi 77  and name H6) (resi 76  and name H1*) 4.500 2.800 0.900\par
assi (resi 77  and name H5) (resi 76  and name H1*) 5.000 3.000 1.000  \par
assi (resi 77  and name H5) (resi 76  and name H2*) 3.500 1.700 0.700\par
assi (resi 77  and name H6) (resi 76  and name H2*) 2.000 0.200 0.500\par
assi (resi 77  and name H5) (resi 76  and name H5) 4.000 2.200 0.800\par
assi (resi 77  and name H5) (resi 76  and name H6) 4.000 2.250 0.800 \par
assi (resi 77  and name H6) (resi 76  and name H6) 5.000 3.000 1.000\par
\par
!residue 78 intranucleotide\par
assi (resi 78  and name H6) (resi 78  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 78  and name H1*) (resi 78  and name H2*) 3.00 1.200 0.600\par
\par
!residue 78 internucleotide\par
assi (resi 78  and name H6) (resi 77  and name H2*) 2.000 0.200 0.500\par
assi (resi 78  and name H5) (resi 77  and name H5) 4.000 2.200 0.800\par
assi (resi 78  and name H5) (resi 77  and name H6) 4.000 2.250 0.800 \par
assi (resi 78  and name H6) (resi 77  and name H6) 5.000 3.000 1.000\par
\par
!residue 79 intranucleotide\par
assi (resi 79  and name H5) (resi 79  and name H2*) 6.000 3.000 1.000 \par
assi (resi 79  and name H6) (resi 79  and name H2*) 4.000 2.200 0.800\par
assi (resi 79  and name H6) (resi 79  and name H1*) 4.000 2.200 0.800\par
assi (resi 79  and name H5) (resi 79  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 79  and name H1*) (resi 79  and name H2*) 3.00 1.200 0.600\par
\par
!U36 inter\par
assi (resi 79  and name H2*) (resi 80  and name H8) 3.00 1.200 0.500\par
assi (resi 79  and name H5) (resi 78  and name H2*) 4.000 2.200 1.000\par
assi (resi 79  and name H5) (resi 78  and name H6) 5.000 3.200 1.000\par
assi (resi 79  and name H6) (resi 78  and name H6) 5.000 3.200 1.000\par
assi (resi 79  and name H6) (resi 80  and name H8) 5.000 3.200 1.000\par
assi (resi 79  and name H5) (resi 78  and name H5) 4.000 2.200 1.000\par
assi (resi 78  and name H1*) (resi 79  and name H6) 5.000 3.000 1.000\par
assi (resi 78  and name H2*) (resi 79  and name H6) 2.500 0.700 0.500\par
\par
!residue 80 intranucleotide\par
assi (resi 80  and name H8) (resi 80  and name H2*) 4.500 2.800 0.900 \par
assi (resi 80  and name H8) (resi 80  and name H3*) 3.500 1.700 0.700\par
assi (resi 80  and name H8) (resi 80  and name H1*) 4.000 2.200 0.800\par
assi (resi 80  and name H2) (resi 80  and name H1*) 5.000 3.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 80  and name H1*) (resi 80  and name H2*) 3.00 1.200 0.600\par
assi (resi 80  and name H1*) (resi 80  and name H3*) 4.00 2.200 0.800 \par
assi (resi 80  and name H3*) (resi 80  and name H2*) 5.000 3.200 0.800\par
!A37 inter\par
assi (resi 80  and name H1*) (resi 81  and name H8) 3.00 1.200 0.500\par
assi (resi 80  and name H2) (resi 49 and name H1*) 5.000 3.200 0.800\par
assi (resi 80  and name H2) (resi 49 and name H8) 5.000 3.200 0.800\par
assi (resi 80  and name H2) (resi 48 and name H6) 6.000 3.200 0.800\par
assi (resi 80  and name H2) (resi 49 and name H2) 5.000 3.200 0.800\par
\par
!residue 81 intranucleotide\par
assi (resi 81  and name H8) (resi 81  and name H2*) 4.500 2.800 0.900 \par
assi (resi 81  and name H8) (resi 81  and name H1*) 4.000 2.200 0.800\par
assi (resi 81  and name H2) (resi 81  and name H1*) 5.000 3.200 0.800\par
!intranucleotide sugar noes\par
assi (resi 81  and name H1*) (resi 81  and name H2*) 3.00 1.200 0.600\par
\par
!A38 inter\par
assi (resi 81  and name H2) (resi 82  and name H1*) 4.500 2.700 0.800\par
assi (resi 81  and name H8) (resi 82  and name H8) 4.500 2.800 0.900\par
\par
!residue 82 intranucleotide  END 3* TETRALOOP RECEPTOR\par
assi (resi 82  and name H8) (resi 82  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 82  and name H1*) (resi 82  and name H2*) 3.00 1.200 0.600\par
\par
!G39 inter\par
assi (resi 82  and name H1*) (resi 81  and name H1*) 5.00 3.200 1.000\par
assi (resi 82  and name H8) (resi 81  and name H1*) 4.500 2.700 0.900\par
assi (resi 82  and name H8) (resi 81  and name H2*) 4.00 2.200 0.800\par
assi (resi 82  and name H8) (resi 81  and name H2) 5.000 3.200 1.000\par
\par
!residue 83 intranucleotide\par
assi (resi 83  and name H5) (resi 83  and name H2*) 6.000 3.000 1.000 \par
assi (resi 83  and name H6) (resi 83  and name H2*) 4.000 2.200 0.800\par
assi (resi 83  and name H6) (resi 83  and name H1*) 4.000 2.200 0.800\par
assi (resi 83  and name H5) (resi 83  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 83  and name H1*) (resi 83  and name H2*) 3.00 1.200 0.600\par
\par
!residue 83 internucleotide\par
assi (resi 83  and name H6) (resi 82  and name H1*) 4.500 2.700 0.900 \par
assi (resi 83  and name H5) (resi 82  and name H1*) 5.000 3.700 1.000  \par
assi (resi 83  and name H6) (resi 82  and name H2*) 2.500 0.700 0.400\par
assi (resi 83  and name H5) (resi 82  and name H8) 4.00 2.200 0.800\par
assi (resi 83  and name H6) (resi 82  and name H8) 5.000  3.000 1.000 \par
assi (resi 83  and name H1*) (resi 82  and name H2*) 4.500 2.800 0.900 \par
assi (resi 83  and name H1*) (resi 82  and name H1*) 6.000 3.000 1.000 \par
\par
!residue 84 intranucleotide\par
assi (resi 84  and name H6) (resi 84  and name H2*) 4.000 2.200 0.800\par
assi (resi 84  and name H6) (resi 84  and name H1*) 4.000 2.200 0.800\par
\par
!intranucleotide sugar noes\par
assi (resi 84  and name H1*) (resi 84  and name H2*) 3.00 1.200 0.600\par
\par
!residue 84 internucleotide\par
assi (resi 84  and name H1*) (resi 83  and name H1*) 5.900 3.000 1.000 \par
assi (resi 84  and name H6) (resi  83 and name H1*) 4.500 2.800 0.900\par
assi (resi 84  and name H5) (resi  83 and name H1*) 5.000 3.000 1.000  \par
assi (resi 84  and name H6) (resi  83 and name H2*) 2.000 0.200 0.500\par
assi (resi 84  and name H5) (resi  83 and name H5) 4.000 2.200 0.800\par
assi (resi 84  and name H5) (resi  83 and name H6) 4.000 2.250 0.800 \par
assi (resi 84  and name H6) (resi  83 and name H6) 5.000 3.000 1.000 \par
\par
!residue 85 intranucleotide\par
assi (resi 85  and name H5) (resi 85  and name H2*) 6.000 3.000 1.000 \par
assi (resi 85  and name H6) (resi 85  and name H2*) 4.000 2.200 0.800\par
assi (resi 85  and name H6) (resi 85  and name H1*) 4.000 2.200 0.800\par
assi (resi 85  and name H5) (resi 85  and name H1*) 6.000 3.000 1.000\par
\par
!intranucleotide sugar noes\par
assi (resi 85  and name H1*) (resi 85  and name H2*) 3.00 1.200 0.600\par
\par
!residue 85 internucleotide\par
assi (resi 85  and name H1*) (resi 84  and name H1*) 5.900 3.000 1.000 \par
assi (resi 85  and name H1*) (resi 84  and name H2*) 4.500 2.800 0.900 \par
assi (resi 85  and name H6) (resi  84 and name H1*) 4.500 2.800 0.900\par
assi (resi 85  and name H5) (resi  84 and name H1*) 5.000 3.000 1.000  \par
assi (resi 85  and name H5) (resi  84 and name H2*) 3.500 1.700 0.700\par
assi (resi 85  and name H6) (resi  84 and name H2*) 2.000 0.200 0.500\par
assi (resi 85  and name H5) (resi  84 and name H6) 4.000 2.250 0.800 \par
assi (resi 85  and name H6) (resi  84 and name H6) 5.000 3.000 1.000 \par
\par
!residue 86 intranucleotide\par
assi (resi 86  and name H5) (resi 86  and name H2*) 6.000 3.000 1.000 \par
assi (resi 86  and name H6) (resi 86  and name H2*) 4.000 2.200 0.800\par
assi (resi 86  and name H6) (resi 86  and name H1*) 4.000 2.200 0.800\par
assi (resi 86  and name H5) (resi 86  and name H1*) 6.000 3.000 1.000\par
!intranucleotide sugar noes\par
assi (resi 86  and name H1*) (resi 86  and name H2*) 3.00 1.200 0.600\par
assi (resi 86  and name H1*) (resi 86  and name H3*) 4.00 2.200 0.800 \par
\par
!residue 86 internucleotide\par
assi (resi 86  and name H1*) (resi 85  and name H1*) 5.900 3.000 1.000 \par
assi (resi 86  and name H6) (resi  85 and name H1*) 4.500 2.800 0.900\par
assi (resi 86  and name H5) (resi  85 and name H1*) 5.000 3.000 1.000  \par
assi (resi 86  and name H5) (resi  85 and name H2*) 3.500 1.700 0.700\par
assi (resi 86  and name H6) (resi  85 and name H2*) 2.000 0.200 0.500\par
assi (resi 86  and name H5) (resi  85 and name H5) 4.000 2.200 0.800\par
assi (resi 86  and name H5) (resi  85 and name H6) 4.000 2.250 0.800 \par
assi (resi 86  and name H6) (resi  85 and name H6) 5.000 3.000 1.000 \par
\par
\par
!Intermolecular NOEs molecule A\par
\par
!residue 21\par
assi (resi 21  and name H2) (resi  81 and name H8) 4.000 2.200 0.800\par
assi (resi 21  and name H2) (resi  80 and name H1*) 3.000 1.200 0.500\par
assi (resi 21  and name H2) (resi  80 and name H2*) 5.000 3.200 0.500\par
assi (resi 21  and name H8) (resi  81 and name H1*) 4.000 2.200 0.800\par
assi (resi 21  and name H1*) (resi  81 and name H1*) 5.000 3.200 0.900\par
assi (resi 21  and name H1*) (resi  81 and name H8) 5.000 3.200 0.900\par
assi (resi 21  and name H2) (resi  80 and name H8) 5.000 3.200 0.900\par
assi (resi 21  and name H2) (resi  80 and name H3*) 5.000 3.200 0.900\par
assi (resi 21  and name H2) (resi  79 and name H2*) 4.000 2.200 0.800\par
\par
!residue 22\par
assi (resi 22  and name H2) (resi  79 and name H1*) 4.000 2.200 0.800\par
assi (resi 22  and name H2) (resi  51 and name H1*) 4.000 2.200 0.800\par
assi (resi 22  and name H2) (resi  51 and name H2*) 5.000 3.200 0.800\par
\par
!residue 23\par
assi (resi 23  and name H2) (resi  52 and name H1*) 4.000 2.200 0.800\par
assi (resi 23  and name H2) (resi  51 and name H1*) 4.000 2.200 0.800\par
assi (resi 23  and name H2) (resi  52 and name H2*) 4.000 2.200 0.800\par
assi (resi 23  and name H2) (resi  51 and name H8) 5.000 3.200 0.900\par
assi (resi 23  and name H2) (resi  52 and name H8) 4.000 2.200 0.800\par
assi (resi 23  and name H1*) (resi  79 and name H1*) 3.000 1.200 0.800\par
\par
!residue 24\par
assi (resi 24  and name H1*) (resi  52 and name H1*) 6.000 3.200 0.900\par
\par
!Intermolecular NOEs molecule B\par
\par
!residue 64\par
assi (resi 64  and name H2) (resi  38 and name H8) 4.000 2.200 0.800\par
assi (resi 64  and name H2) (resi  37 and name H1*) 3.000 1.200 0.500\par
assi (resi 64  and name H2) (resi  37 and name H2*) 5.000 3.200 0.500\par
assi (resi 64  and name H8) (resi  38 and name H1*) 4.000 2.200 0.800\par
assi (resi 64  and name H1*) (resi  38 and name H1*) 5.000 3.200 0.900\par
assi (resi 64  and name H1*) (resi  38 and name H8) 5.000 3.200 0.900\par
assi (resi 64  and name H2) (resi  37 and name H8) 5.000 3.200 0.900\par
assi (resi 64  and name H2) (resi  37 and name H3*) 5.000 3.200 0.900\par
assi (resi 64  and name H2) (resi  36 and name H2*) 4.000 2.200 0.800\par
\par
!residue 65\par
assi (resi 65  and name H2) (resi  36 and name H1*) 4.000 2.200 0.800\par
assi (resi 65  and name H2) (resi   8 and name H1*) 4.000 2.200 0.800\par
assi (resi 65  and name H2) (resi   8 and name H2*) 5.000 3.200 0.800\par
\par
!residue 66\par
assi (resi 66  and name H2) (resi   9 and name H1*) 4.000 2.200 0.800\par
assi (resi 66  and name H2) (resi   8 and name H1*) 4.000 2.200 0.800\par
assi (resi 66  and name H2) (resi   9 and name H2*) 4.000 2.200 0.800\par
assi (resi 66  and name H2) (resi   8 and name H8) 5.000 3.200 0.900\par
assi (resi 66  and name H2) (resi   9 and name H8) 4.000 2.200 0.800\par
assi (resi 66  and name H1*) (resi  36 and name H1*) 3.000 1.200 0.800\par
\par
!residue 67\par
assi (resi 67  and name H1*) (resi   9 and name H1*) 6.000 3.200 0.900\par
\par
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\par
!exchangeable NOEs\par
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!\par
\par
!residue 1\par
assi (resi 1  and name H1) (resi  2 and name H1*) 5.000 3.200 0.900\par
assi (resi 1  and name H1) (resi  2 and name H1) 5.000 3.200 0.900\par
assi (resi 1  and name H1) (resi  43 and name H2*) 5.000 3.200 0.900\par
assi (resi 1  and name H1) (resi  43 and name H1*) 5.000 3.200 0.900\par
\par
!residue 2\par
assi (resi 2  and name H1) (resi  3 and name H1*) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  3 and name H1) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  42 and name H5) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  42 and name H2*) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  43 and name H1*) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  43 and name H5) 5.000 3.200 0.900\par
assi (resi 2  and name H1) (resi  42 and name H41) 2.500 0.700 0.900\par
assi (resi 2  and name H1) (resi  42 and name H42) 4.000 2.200 0.900\par
assi (resi 2  and name H1) (resi  43 and name H2*) 5.000 3.200 0.900\par
\par
!residue 3\par
assi (resi 3  and name H1) (resi  4 and name H2) 5.000 3.200 0.900\par
assi (resi 3  and name H1) (resi  41 and name H2*) 5.000 3.200 0.900\par
assi (resi 3  and name H1) (resi  41 and name H5) 5.000 3.200 0.900\par
assi (resi 3  and name H1) (resi  42 and name H5) 5.000 3.200 0.900\par
assi (resi 3  and name H1) (resi  41 and name H41) 2.500 0.700 0.900\par
assi (resi 3  and name H1) (resi  41 and name H42) 4.000 2.200 0.900\par
\par
!residue 5\par
assi (resi 5  and name H3) (resi  4 and name H2) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  5 and name H2*) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  5 and name H1*) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  5 and name H6) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  5 and name H5) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  37 and name H1*) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  37 and name H2) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  39 and name H1) 4.000 2.200 0.900\par
assi (resi 5  and name H3) (resi  40 and name H3) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  4 and name H61) 3.200 1.400 0.900\par
assi (resi 5  and name H3) (resi  4 and name H62) 5.000 3.200 0.900\par
assi (resi 5  and name H3) (resi  4 and name H8) 5.000 3.200 0.900\par
\par
\par
!residue 7\par
\par
!residue 8\par
assi (resi 8  and name H1) (resi  9 and name H1*) 5.000 3.200 0.900\par
assi (resi 8  and name H1) (resi  9 and name H1) 5.000 3.200 0.900\par
assi (resi 8  and name H1) (resi  35 and name H2*) 5.000 3.200 0.900\par
assi (resi 8  and name H1) (resi  8 and name H21) 2.400 0.600 0.900\par
assi (resi 8  and name H1) (resi  8 and name H21) 3.500 1.700 0.900\par
assi (resi 8  and name H1) (resi  35 and name H41) 2.500 0.700 0.900\par
assi (resi 8  and name H1) (resi  35 and name H42) 4.000 2.200 0.900\par
\par
!residue 9\par
assi (resi 9  and name H1) (resi  10 and name H2) 5.000 3.200 0.900\par
assi (resi 9  and name H1) (resi  34 and name H2*) 5.000 3.200 0.900\par
assi (resi 9  and name H1) (resi  35 and name H6) 5.000 3.200 0.900\par
assi (resi 9  and name H1) (resi  9 and name H21) 2.400 0.600 0.900\par
assi (resi 9  and name H1) (resi  10 and name H61) 4.500 2.700 0.900\par
assi (resi 9  and name H1) (resi  10 and name H62) 4.500 2.700 0.900\par
assi (resi 9  and name H1) (resi  34 and name H41) 2.500 0.700 0.900\par
assi (resi 9  and name H1) (resi  34 and name H42) 4.000 2.200 0.900\par
assi (resi 9  and name H1) (resi  35 and name H42) 4.500 2.700 0.900\par
\par
!residue 12\par
assi (resi 12  and name H1) (resi  31 and name H2*) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  31 and name H5) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  32 and name H5) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  11 and name H2) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  11 and name H62) 4.000 2.200 0.900\par
assi (resi 12  and name H1) (resi  12 and name H21) 2.400 0.600 0.900\par
assi (resi 12  and name H1) (resi  12 and name H22) 3.500 1.700 0.900\par
assi (resi 12  and name H1) (resi  13 and name H1*) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  13 and name H2) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  31 and name H41) 2.500 0.700 0.900\par
assi (resi 12  and name H1) (resi  31 and name H42) 4.000 2.200 0.900\par
assi (resi 12  and name H1) (resi  32 and name H1*) 5.000 3.200 0.900\par
assi (resi 12  and name H1) (resi  12 and name H2*) 5.000 3.200 0.900\par
\par
!residue 17\par
assi (resi 17  and name H1) (resi  18 and name H8) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  18 and name H1) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  26 and name H2*) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  27 and name H8) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  25 and name H3) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  26 and name H2*) 5.000 3.200 0.900\par
assi (resi 17  and name H1) (resi  27 and name H2*) 5.000 3.200 0.900\par
\par
\par
!residue 18\par
assi (resi 18  and name H1) (resi  19 and name H1*) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  19 and name H1) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  25 and name H2*) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  25 and name H1*) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  26 and name H1*) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  26 and name H6) 5.000 3.200 0.900\par
assi (resi 18  and name H1) (resi  24 and name H41) 4.500 2.800 0.900\par
\par
!residue 19\par
assi (resi 19  and name H1) (resi  20 and name H1*) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  20 and name H1) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  24 and name H2*) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  24 and name H5) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  25 and name H1*) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  19 and name H21) 2.400 0.600 0.900\par
assi (resi 19  and name H1) (resi  19 and name H22) 3.500 1.700 0.900\par
assi (resi 19  and name H1) (resi  24 and name H1*) 5.000 3.200 0.900\par
assi (resi 19  and name H1) (resi  24 and name H41) 2.500 0.700 0.900\par
assi (resi 19  and name H1) (resi  24 and name H42) 4.000 2.200 0.900\par
\par
!residue 20\par
assi (resi 20  and name H1) (resi  24 and name H5) 5.000 3.200 0.900\par
assi (resi 20  and name H1) (resi  20 and name H21) 2.400 0.600 0.900\par
assi (resi 20  and name H1) (resi  20 and name H22) 3.500 1.700 0.900\par
assi (resi 20  and name H1) (resi  24 and name H41) 4.500 2.800 0.900\par
assi (resi 20  and name H1) (resi  24 and name H42) 4.500 2.800 0.900\par
assi (resi 20  and name H21) (resi  24 and name H5) 5.000 3.200 0.900\par
\par
!residue 24\par
assi (resi 24  and name H41) (resi  24 and name H5) 5.000 3.200 0.900\par
assi (resi 24  and name H42) (resi  24 and name H5) 5.000 3.200 0.900\par
\par
!residue 25\par
assi (resi 25  and name H3) (resi  18 and name H1) 4.000 2.200 0.900\par
assi (resi 25  and name H3) (resi  19 and name H1) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  25 and name H2*) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  25 and name H1*) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  25 and name H5) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  25 and name H6) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  26 and name H6) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  26 and name H5) 5.000 3.200 0.900\par
assi (resi 25  and name H3) (resi  26 and name H3) 4.000 2.200 0.900\par
assi (resi 25  and name H3) (resi  24 and name H41) 4.500 2.800 0.900\par
assi (resi 25  and name H3) (resi  24 and name H42) 4.500 2.800 0.900\par
\par
!residue 26\par
assi (resi 26  and name H3) (resi  17 and name H1) 4.000 2.200 0.900\par
assi (resi 26  and name H3) (resi  18 and name H1) 5.000 3.200 0.900\par
assi (resi 26  and name H3) (resi  26 and name H2*) 5.000 3.200 0.900\par
assi (resi 26  and name H3) (resi  26 and name H6) 5.000 3.200 0.900\par
assi (resi 26  and name H3) (resi  27 and name H8) 5.000 3.200 0.900\par
assi (resi 26  and name H3) (resi  27 and name H1) 5.000 3.200 0.900\par
\par
!residue 27\par
assi (resi 27  and name H1) (resi  17 and name H8) 5.000 3.200 0.900\par
assi (resi 27  and name H1) (resi  28 and name H1) 5.000 3.200 0.900\par
assi (resi 27  and name H1) (resi  16 and name H41) 2.500 0.700 0.900\par
assi (resi 27  and name H1) (resi  16 and name H42) 4.000 2.200 0.900\par
\par
!residue 28\par
assi (resi 28  and name H1) (resi  29 and name H5) 5.000 3.200 0.900\par
assi (resi 28  and name H1) (resi  14 and name H2) 5.000 3.200 0.900\par
assi (resi 28  and name H1) (resi  15 and name H41) 2.500 0.700 0.900\par
assi (resi 28  and name H1) (resi  15 and name H42) 4.000 2.200 0.900\par
assi (resi 28  and name H1) (resi  28 and name H21) 2.400 0.600 0.900\par
assi (resi 28  and name H1) (resi  28 and name H22) 3.500 1.700 0.900\par
\par
!residue 29\par
assi (resi 29  and name H3) (resi  28 and name H1) 4.000 2.200 0.900\par
assi (resi 29  and name H3) (resi  29 and name H2*) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  29 and name H1*) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  29 and name H6) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  30 and name H5) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  13 and name H2) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  13 and name H61) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  14 and name H2) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  14 and name H61) 2.500 0.700 0.900\par
assi (resi 29  and name H3) (resi  14 and name H62) 4.000 2.200 0.900\par
assi (resi 29  and name H3) (resi  15 and name H42) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  30 and name H1*) 5.000 3.200 0.900\par
assi (resi 29  and name H3) (resi  30 and name H3) 5.000 3.200 0.900\par
\par
!residue 30 \par
assi (resi 30  and name H3) (resi  12 and name H1) 5.000 3.200 0.900\par
assi (resi 30  and name H3) (resi  30 and name H2*) 5.000 3.200 0.900\par
assi (resi 30  and name H3) (resi  30 and name H1*) 4.000 2.200 0.900\par
assi (resi 30  and name H3) (resi  31 and name H1*) 4.000 2.200 0.900\par
assi (resi 30  and name H3) (resi  13 and name H2) 5.000 3.200 0.900\par
assi (resi 30  and name H3) (resi  13 and name H61) 2.400 0.600 0.900\par
assi (resi 30  and name H3) (resi  13 and name H62) 3.500 1.700 0.900\par
assi (resi 30  and name H3) (resi  14 and name H2) 5.000 3.200 0.900\par
assi (resi 30  and name H3) (resi  31 and name H41) 4.000 2.200 0.900\par
assi (resi 30  and name H3) (resi  31 and name H42) 5.000 3.200 0.900\par
\par
!residue 32\par
assi (resi 32  and name H3) (resi  11 and name H2) 5.000 3.200 0.900\par
assi (resi 32  and name H3) (resi  12 and name H1) 5.000 3.200 0.900\par
assi (resi 32  and name H3) (resi  32 and name H2*) 5.000 3.200 0.900\par
assi (resi 32  and name H3) (resi  32 and name H1*) 4.000 2.200 0.900\par
assi (resi 32  and name H3) (resi  33 and name H3) 5.000 3.200 0.900\par
assi (resi 32  and name H3) (resi  11 and name H61) 2.400 0.600 0.900\par
assi (resi 32  and name H3) (resi  11 and name H62) 3.500 1.700 0.900\par
\par
!residue 33\par
assi (resi 33  and name H3) (resi  9 and name H1) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  10 and name H2) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  11 and name H2) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  33 and name H2*) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  33 and name H1*) 4.000 2.200 0.900\par
assi (resi 33  and name H3) (resi  33 and name H5) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  34 and name H1*) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  34 and name H5) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  10 and name H61) 2.400 0.600 0.900\par
assi (resi 33  and name H3) (resi  10 and name H62) 3.500 1.700 0.900\par
assi (resi 33  and name H3) (resi  11 and name H1*) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  11 and name H61) 5.000 3.200 0.900\par
assi (resi 33  and name H3) (resi  34 and name H41) 4.500 2.800 0.900\par
\par
!residue 36\par
assi (resi 36  and name H3) (resi  6 and name H8) 5.000 3.200 0.900\par
assi (resi 36  and name H3) (resi  8 and name H1) 5.000 3.200 0.900\par
assi (resi 36  and name H3) (resi  6  and name H61) 5.000 3.200 0.900\par
assi (resi 36  and name H3) (resi  6  and name H62) 3.000 1.200 0.900\par
assi (resi 36  and name H3) (resi  8  and name H21) 5.000 3.200 0.900\par
assi (resi 36  and name H3) (resi  37 and name H1*) 5.000 3.200 0.900\par
\par
!residue 39\par
assi (resi 39  and name H1) (resi  4 and name H2) 5.000 3.200 0.900\par
assi (resi 39  and name H1) (resi  5 and name H2*) 5.000 3.200 0.900\par
assi (resi 39  and name H1) (resi  5 and name H1*) 5.000 3.200 0.900\par
assi (resi 39  and name H1) (resi  37 and name H2) 5.000 3.200 0.900\par
assi (resi 39  and name H1) (resi  40 and name H1*) 5.000 3.200 0.900\par
assi (resi 39  and name H1) (resi  4  and name H62) 5.000 3.200 0.900\par
\par
!residue 40\par
assi (resi 40  and name H3) (resi  3 and name H1) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  4 and name H2) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  39 and name H1) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  40 and name H2*) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  40 and name H1*) 4.000 2.200 0.900\par
assi (resi 40  and name H3) (resi  40 and name H6) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  4 and name H61) 2.400 0.600 0.900\par
assi (resi 40  and name H3) (resi  4 and name H62) 4.000 2.200 0.900\par
assi (resi 40  and name H3) (resi  5  and name H1*) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  41 and name H1*) 5.000 3.200 0.900\par
assi (resi 40  and name H3) (resi  41 and name H41) 4.500 2.800 0.900\par
assi (resi 40  and name H3) (resi  41 and name H42) 4.500 2.800 0.900\par
\par
\par
!residue 43\par
assi (resi 43  and name H3) (resi  1 and name H1) 5.000 3.200 0.900\par
assi (resi 43  and name H3) (resi  2 and name H1) 5.000 3.200 0.900\par
assi (resi 43  and name H3) (resi  43 and name H2*) 5.000 3.200 0.900\par
assi (resi 43  and name H3) (resi  43 and name H1*) 4.000 2.200 0.900\par
assi (resi 43  and name H3) (resi  43 and name H6) 5.000 3.200 0.900\par
assi (resi 43  and name H3) (resi  2 and name H1*) 5.000 3.200 0.900\par
assi (resi 43  and name H3) (resi  42 and name H41) 4.500 2.800 0.900\par
assi (resi 43  and name H3) (resi  42 and name H42) 4.500 2.800 0.900\par
\par
! molucule B\par
\par
!residue 44\par
assi (resi 44  and name H1) (resi  45 and name H1*) 5.000 3.200 0.900\par
assi (resi 44  and name H1) (resi  45 and name H1) 5.000 3.200 0.900\par
assi (resi 44  and name H1) (resi  86 and name H2*) 5.000 3.200 0.900\par
assi (resi 44  and name H1) (resi  86 and name H1*) 5.000 3.200 0.900\par
\par
!residue 45\par
assi (resi 45  and name H1) (resi  46 and name H1*) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  46 and name H1) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  85 and name H5) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  85 and name H2*) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  86 and name H1*) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  86 and name H5) 5.000 3.200 0.900\par
assi (resi 45  and name H1) (resi  85 and name H41) 2.500 0.700 0.900\par
assi (resi 45  and name H1) (resi  85 and name H42) 4.000 2.200 0.900\par
assi (resi 45  and name H1) (resi  86 and name H2*) 5.000 3.200 0.900\par
\par
!residue 46\par
assi (resi 46  and name H1) (resi  47 and name H2) 5.000 3.200 0.900\par
assi (resi 46  and name H1) (resi  84 and name H2*) 5.000 3.200 0.900\par
assi (resi 46  and name H1) (resi  84 and name H5) 5.000 3.200 0.900\par
assi (resi 46  and name H1) (resi  85 and name H5) 5.000 3.200 0.900\par
assi (resi 46  and name H1) (resi  84 and name H41) 2.500 0.700 0.900\par
assi (resi 46  and name H1) (resi  84 and name H42) 4.000 2.200 0.900\par
\par
!residue 48\par
assi (resi 48  and name H3) (resi  47 and name H2) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  48 and name H2*) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  48 and name H1*) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  48 and name H6) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  48 and name H5) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  80 and name H1*) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  80 and name H2) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  82 and name H1) 4.000 2.200 0.900\par
assi (resi 48  and name H3) (resi  83 and name H3) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  47 and name H61) 3.200 1.400 0.900\par
assi (resi 48  and name H3) (resi  47 and name H62) 5.000 3.200 0.900\par
assi (resi 48  and name H3) (resi  47 and name H8) 5.000 3.200 0.900\par
\par
\par
!residue 50\par
\par
!residue 51\par
assi (resi 51  and name H1) (resi  52 and name H1*) 5.000 3.200 0.900\par
assi (resi 51  and name H1) (resi  52 and name H1) 5.000 3.200 0.900\par
assi (resi 51  and name H1) (resi  78 and name H2*) 5.000 3.200 0.900\par
assi (resi 51  and name H1) (resi  51 and name H21) 2.400 0.600 0.900\par
assi (resi 51  and name H1) (resi  51 and name H21) 3.500 1.700 0.900\par
assi (resi 51  and name H1) (resi  78 and name H41) 2.500 0.700 0.900\par
assi (resi 51  and name H1) (resi  78 and name H42) 4.000 2.200 0.900\par
\par
!residue 51\par
assi (resi 52  and name H1) (resi  53 and name H2) 5.000 3.200 0.900\par
assi (resi 52  and name H1) (resi  77 and name H2*) 5.000 3.200 0.900\par
assi (resi 52  and name H1) (resi  78 and name H6) 5.000 3.200 0.900\par
assi (resi 52  and name H1) (resi  52 and name H21) 2.400 0.600 0.900\par
assi (resi 52  and name H1) (resi  53 and name H61) 4.500 2.700 0.900\par
assi (resi 52  and name H1) (resi  53 and name H62) 4.500 2.700 0.900\par
assi (resi 52  and name H1) (resi  77 and name H41) 2.500 0.700 0.900\par
assi (resi 52  and name H1) (resi  77 and name H42) 4.000 2.200 0.900\par
assi (resi 52  and name H1) (resi  78 and name H42) 4.500 2.700 0.900\par
\par
!residue 55\par
assi (resi 55  and name H1) (resi  74 and name H2*) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  74 and name H5) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  75 and name H5) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  54 and name H2) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  54 and name H62) 4.000 2.200 0.900\par
assi (resi 55  and name H1) (resi  55 and name H21) 2.400 0.600 0.900\par
assi (resi 55  and name H1) (resi  55 and name H22) 3.500 1.700 0.900\par
assi (resi 55  and name H1) (resi  56 and name H1*) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  56 and name H2) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  74 and name H41) 2.500 0.700 0.900\par
assi (resi 55  and name H1) (resi  74 and name H42) 4.000 2.200 0.900\par
assi (resi 55  and name H1) (resi  75 and name H1*) 5.000 3.200 0.900\par
assi (resi 55  and name H1) (resi  55 and name H2*) 5.000 3.200 0.900\par
\par
!residue 60\par
assi (resi 60  and name H1) (resi  61 and name H8) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  61 and name H1) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  69 and name H2*) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  70 and name H8) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  68 and name H3) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  69 and name H2*) 5.000 3.200 0.900\par
assi (resi 60  and name H1) (resi  70 and name H2*) 5.000 3.200 0.900\par
\par
\par
!residue 61\par
assi (resi 61  and name H1) (resi  62 and name H1*) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  62 and name H1) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  68 and name H2*) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  68 and name H1*) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  69 and name H1*) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  69 and name H6) 5.000 3.200 0.900\par
assi (resi 61  and name H1) (resi  67 and name H41) 4.500 2.800 0.900\par
\par
!residue 62\par
assi (resi 62  and name H1) (resi  63 and name H1*) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  63 and name H1) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  67 and name H2*) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  67 and name H5) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  68 and name H1*) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  62 and name H21) 2.400 0.600 0.900\par
assi (resi 62  and name H1) (resi  62 and name H22) 3.500 1.700 0.900\par
assi (resi 62  and name H1) (resi  67 and name H1*) 5.000 3.200 0.900\par
assi (resi 62  and name H1) (resi  67 and name H41) 2.500 0.700 0.900\par
assi (resi 62  and name H1) (resi  67 and name H42) 4.000 2.200 0.900\par
\par
!residue  63\par
assi (resi 63  and name H1) (resi  67 and name H5) 5.000 3.200 0.900\par
assi (resi 63  and name H1) (resi  63 and name H21) 2.400 0.600 0.900\par
assi (resi 63  and name H1) (resi  63 and name H22) 3.500 1.700 0.900\par
assi (resi 63  and name H1) (resi  67 and name H41) 4.500 2.800 0.900\par
assi (resi 63  and name H1) (resi  67 and name H42) 4.500 2.800 0.900\par
assi (resi 63  and name H21) (resi  67 and name H5) 5.000 3.200 0.900\par
\par
!residue 67\par
assi (resi 67  and name H41) (resi  67 and name H5) 5.000 3.200 0.900\par
assi (resi 67  and name H42) (resi  67 and name H5) 5.000 3.200 0.900\par
\par
!residue 68\par
assi (resi 68  and name H3) (resi  61 and name H1) 4.000 2.200 0.900\par
assi (resi 68  and name H3) (resi  62 and name H1) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  68 and name H2*) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  68 and name H1*) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  68 and name H5) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  68 and name H6) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  69 and name H6) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  69 and name H5) 5.000 3.200 0.900\par
assi (resi 68  and name H3) (resi  69 and name H3) 4.000 2.200 0.900\par
assi (resi 68  and name H3) (resi  67 and name H41) 4.500 2.800 0.900\par
assi (resi 68  and name H3) (resi  67 and name H42) 4.500 2.800 0.900\par
\par
!residue 69\par
assi (resi 69  and name H3) (resi  60 and name H1) 4.000 2.200 0.900\par
assi (resi 69  and name H3) (resi  61 and name H1) 5.000 3.200 0.900\par
assi (resi 69  and name H3) (resi  69 and name H2*) 5.000 3.200 0.900\par
assi (resi 69  and name H3) (resi  69 and name H6) 5.000 3.200 0.900\par
assi (resi 69  and name H3) (resi  70 and name H8) 5.000 3.200 0.900\par
assi (resi 69  and name H3) (resi  70 and name H1) 5.000 3.200 0.900\par
\par
!residue 70\par
assi (resi 70  and name H1) (resi  60 and name H8) 5.000 3.200 0.900\par
assi (resi 70  and name H1) (resi  71 and name H1) 5.000 3.200 0.900\par
assi (resi 70  and name H1) (resi  59 and name H41) 2.500 0.700 0.900\par
assi (resi 70  and name H1) (resi  59 and name H42) 4.000 2.200 0.900\par
\par
!residue 71\par
assi (resi 71  and name H1) (resi  72 and name H5) 5.000 3.200 0.900\par
assi (resi 71  and name H1) (resi  57 and name H2) 5.000 3.200 0.900\par
assi (resi 71  and name H1) (resi  58 and name H41) 2.500 0.700 0.900\par
assi (resi 71  and name H1) (resi  58 and name H42) 4.000 2.200 0.900\par
assi (resi 71  and name H1) (resi  71 and name H21) 2.400 0.600 0.900\par
assi (resi 71  and name H1) (resi  71 and name H22) 3.500 1.700 0.900\par
\par
!residue 72\par
assi (resi 72  and name H3) (resi  71 and name H1) 4.000 2.200 0.900\par
assi (resi 72  and name H3) (resi  72 and name H2*) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  72 and name H1*) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  72 and name H6) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  73 and name H5) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  56 and name H2) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  56 and name H61) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  57 and name H2) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  57 and name H61) 2.500 0.700 0.900\par
assi (resi 72  and name H3) (resi  57 and name H62) 4.000 2.200 0.900\par
assi (resi 72  and name H3) (resi  58 and name H42) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  73 and name H1*) 5.000 3.200 0.900\par
assi (resi 72  and name H3) (resi  73 and name H3) 5.000 3.200 0.900\par
\par
!residue 73 \par
assi (resi 73  and name H3) (resi  55 and name H1) 5.000 3.200 0.900\par
assi (resi 73  and name H3) (resi  73 and name H2*) 5.000 3.200 0.900\par
assi (resi 73  and name H3) (resi  73 and name H1*) 4.000 2.200 0.900\par
assi (resi 73  and name H3) (resi  74 and name H1*) 4.000 2.200 0.900\par
assi (resi 73  and name H3) (resi  56 and name H2) 5.000 3.200 0.900\par
assi (resi 73  and name H3) (resi  56 and name H61) 2.400 0.600 0.900\par
assi (resi 73  and name H3) (resi  56 and name H62) 3.500 1.700 0.900\par
assi (resi 73  and name H3) (resi  57 and name H2) 5.000 3.200 0.900\par
assi (resi 73  and name H3) (resi  74 and name H41) 4.000 2.200 0.900\par
assi (resi 73  and name H3) (resi  74 and name H42) 5.000 3.200 0.900\par
\par
!residue 75\par
assi (resi 75  and name H3) (resi  54 and name H2) 5.000 3.200 0.900\par
assi (resi 75  and name H3) (resi  55 and name H1) 5.000 3.200 0.900\par
assi (resi 75  and name H3) (resi  75 and name H2*) 5.000 3.200 0.900\par
assi (resi 75  and name H3) (resi  75 and name H1*) 4.000 2.200 0.900\par
assi (resi 75  and name H3) (resi  76 and name H3) 5.000 3.200 0.900\par
assi (resi 75  and name H3) (resi  54 and name H61) 2.400 0.600 0.900\par
assi (resi 75  and name H3) (resi  54 and name H62) 3.500 1.700 0.900\par
\par
!residue 76\par
assi (resi 76  and name H3) (resi  52 and name H1) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  53 and name H2) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  54 and name H2) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  76 and name H2*) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  76 and name H1*) 4.000 2.200 0.900\par
assi (resi 76  and name H3) (resi  76 and name H5) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  77 and name H1*) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  77 and name H5) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  53 and name H61) 2.400 0.600 0.900\par
assi (resi 76  and name H3) (resi  53 and name H62) 3.500 1.700 0.900\par
assi (resi 76  and name H3) (resi  54 and name H1*) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  54 and name H61) 5.000 3.200 0.900\par
assi (resi 76  and name H3) (resi  77 and name H41) 4.500 2.800 0.900\par
\par
!residue 79\par
assi (resi 79  and name H3) (resi  49 and name H8) 5.000 3.200 0.900\par
assi (resi 79  and name H3) (resi  51 and name H1) 5.000 3.200 0.900\par
assi (resi 79  and name H3) (resi  49  and name H61) 5.000 3.200 0.900\par
assi (resi 79  and name H3) (resi  49  and name H62) 3.000 1.200 0.900\par
assi (resi 79  and name H3) (resi  51  and name H21) 5.000 3.200 0.900\par
assi (resi 79  and name H3) (resi  80 and name H1*) 5.000 3.200 0.900\par
\par
!residue 82\par
assi (resi 82  and name H1) (resi  47 and name H2) 5.000 3.200 0.900\par
assi (resi 82  and name H1) (resi  48 and name H2*) 5.000 3.200 0.900\par
assi (resi 82  and name H1) (resi  48 and name H1*) 5.000 3.200 0.900\par
assi (resi 82  and name H1) (resi  80 and name H2) 5.000 3.200 0.900\par
assi (resi 82  and name H1) (resi  83 and name H1*) 5.000 3.200 0.900\par
assi (resi 82  and name H1) (resi  47  and name H62) 5.000 3.200 0.900\par
\par
!residue 83\par
assi (resi 83  and name H3) (resi  46 and name H1) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  47 and name H2) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  82 and name H1) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  83 and name H2*) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  83 and name H1*) 4.000 2.200 0.900\par
assi (resi 83  and name H3) (resi  83 and name H6) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  47 and name H61) 2.400 0.600 0.900\par
assi (resi 83  and name H3) (resi  47 and name H62) 4.000 2.200 0.900\par
assi (resi 83  and name H3) (resi  48  and name H1*) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  84 and name H1*) 5.000 3.200 0.900\par
assi (resi 83  and name H3) (resi  84 and name H41) 4.500 2.800 0.900\par
assi (resi 83  and name H3) (resi  84 and name H42) 4.500 2.800 0.900\par
\par
\par
!residue 86\par
assi (resi 86  and name H3) (resi  44 and name H1) 5.000 3.200 0.900\par
assi (resi 86  and name H3) (resi  45 and name H1) 5.000 3.200 0.900\par
assi (resi 86  and name H3) (resi  86 and name H2*) 5.000 3.200 0.900\par
assi (resi 86  and name H3) (resi  86 and name H1*) 4.000 2.200 0.900\par
assi (resi 86  and name H3) (resi  86 and name H6) 5.000 3.200 0.900\par
assi (resi 86  and name H3) (resi  45 and name H1*) 5.000 3.200 0.900\par
assi (resi 86  and name H3) (resi  85 and name H41) 4.500 2.800 0.900\par
assi (resi 86  and name H3) (resi  85 and name H42) 4.500 2.800 0.900\par
\par
!intermolecular NOEs\par
! molecule A - B\par
\par
assi (resi 36  and name H3) (resi  65 and name H2) 4.000 2.200 0.800\par
assi (resi 36  and name H3) (resi  64 and name H2) 4.000 2.200 0.800\par
assi (resi 6   and name H61) (resi  64 and name H2) 4.000 2.200 0.800\par
assi (resi 6   and name H61) (resi  65 and name H2) 4.000 2.200 0.800\par
assi (resi 6   and name H62) (resi  65 and name H2) 4.000 2.200 0.800\par
assi (resi 8   and name H1) (resi  66 and name H2) 4.000 2.200 0.800\par
assi (resi 8   and name H21) (resi  65 and name H2) 4.000 2.200 0.800\par
assi (resi 8   and name H21) (resi  66 and name H2) 4.000 2.200 0.800\par
assi (resi 8   and name H21) (resi  66 and name H1*) 4.000 2.200 0.800\par
assi (resi 8   and name H22) (resi  66 and name H2) 4.000 2.200 0.800\par
assi (resi 8   and name H22) (resi  66 and name H1*) 4.000 2.200 0.800\par
\par
! molecule B - A \par
\par
assi (resi 79  and name H3) (resi  22 and name H2) 4.000 2.200 0.800\par
assi (resi 79  and name H3) (resi  21 and name H2) 4.000 2.200 0.800\par
assi (resi 49   and name H61) (resi  21 and name H2) 4.000 2.200 0.800\par
assi (resi 49   and name H61) (resi  22 and name H2) 4.000 2.200 0.800\par
assi (resi 49   and name H62) (resi  22 and name H2) 4.000 2.200 0.800\par
assi (resi 51   and name H1) (resi  23 and name H2) 4.000 2.200 0.800\par
assi (resi 51   and name H21) (resi  22 and name H2) 4.000 2.200 0.800\par
assi (resi 51   and name H21) (resi  23 and name H2) 4.000 2.200 0.800\par
assi (resi 51   and name H21) (resi  23 and name H1*) 4.000 2.200 0.800\par
assi (resi 51   and name H22) (resi  23 and name H2) 4.000 2.200 0.800\par
assi (resi 51   and name H22) (resi  23 and name H1*) 4.000 2.200 0.800\par
\par
\par
\par
!phosphate backbone restraints\par
\par
assi (resi 2  and name p) (resi  3 and name p) 5.800 1.000 0.300\par
assi (resi 3  and name p) (resi  4 and name p) 5.800 1.000 0.300\par
assi (resi 4  and name p) (resi  5 and name p) 5.800 1.000 0.300\par
assi (resi 11  and name p) (resi  12 and name p) 5.800 1.000 0.300\par
assi (resi 12  and name p) (resi  13 and name p) 5.800 1.000 0.300\par
assi (resi 13  and name p) (resi  14 and name p) 5.800 1.000 0.300\par
assi (resi 14  and name p) (resi  15 and name p) 5.800 1.000 0.300\par
assi (resi 15  and name p) (resi  16 and name p) 5.800 1.000 0.300\par
assi (resi 16  and name p) (resi  17 and name p) 5.800 1.000 0.300\par
assi (resi 17  and name p) (resi  18 and name p) 5.800 1.000 0.300\par
assi (resi 18  and name p) (resi  19 and name p) 5.800 1.000 0.300\par
assi (resi 25  and name p) (resi  26 and name p) 5.800 1.000 0.300\par
assi (resi 26  and name p) (resi  27 and name p) 5.800 1.000 0.300\par
assi (resi 27  and name p) (resi  28 and name p) 5.800 1.000 0.300\par
assi (resi 28  and name p) (resi  29 and name p) 5.800 1.000 0.300\par
assi (resi 29  and name p) (resi  30 and name p) 5.800 1.000 0.300\par
assi (resi 30  and name p) (resi  31 and name p) 5.800 1.000 0.300\par
assi (resi 31  and name p) (resi  32 and name p) 5.800 1.000 0.300\par
assi (resi 32  and name p) (resi  33 and name p) 5.800 1.000 0.300\par
assi (resi 40  and name p) (resi  41 and name p) 5.800 1.000 0.300\par
assi (resi 41  and name p) (resi  42 and name p) 5.800 1.000 0.300\par
assi (resi 42  and name p) (resi  43 and name p) 5.800 1.000 0.300\par
\par
!molecule b\par
\par
assi (resi 45  and name p) (resi  46 and name p) 5.800 1.000 0.300\par
assi (resi 46  and name p) (resi  47 and name p) 5.800 1.000 0.300\par
assi (resi 47  and name p) (resi  48 and name p) 5.800 1.000 0.300\par
assi (resi 54  and name p) (resi  55 and name p) 5.800 1.000 0.300\par
assi (resi 55  and name p) (resi  56 and name p) 5.800 1.000 0.300\par
assi (resi 56  and name p) (resi  57 and name p) 5.800 1.000 0.300\par
assi (resi 57  and name p) (resi  58 and name p) 5.800 1.000 0.300\par
assi (resi 58  and name p) (resi  59 and name p) 5.800 1.000 0.300\par
assi (resi 59  and name p) (resi  60 and name p) 5.800 1.000 0.300\par
assi (resi 60  and name p) (resi  61 and name p) 5.800 1.000 0.300\par
assi (resi 61  and name p) (resi  62 and name p) 5.800 1.000 0.300\par
assi (resi 68  and name p) (resi  69 and name p) 5.800 1.000 0.300\par
assi (resi 69  and name p) (resi  70 and name p) 5.800 1.000 0.300\par
assi (resi 70  and name p) (resi  71 and name p) 5.800 1.000 0.300\par
assi (resi 71  and name p) (resi  72 and name p) 5.800 1.000 0.300\par
assi (resi 72  and name p) (resi  73 and name p) 5.800 1.000 0.300\par
assi (resi 73  and name p) (resi  74 and name p) 5.800 1.000 0.300\par
assi (resi 74  and name p) (resi  75 and name p) 5.800 1.000 0.300\par
assi (resi 75  and name p) (resi  76 and name p) 5.800 1.000 0.300\par
assi (resi 83  and name p) (resi  84 and name p) 5.800 1.000 0.300\par
assi (resi 84  and name p) (resi  85 and name p) 5.800 1.000 0.300\par
assi (resi 85  and name p) (resi  86 and name p) 5.800 1.000 0.300\par
\par
\par
! major groove phoaphate backbone restraints\par
\par
assi (resi 10  and name p) (resi  26 and name p) 12.000 2.000 2.000\par
assi (resi 10  and name p) (resi  27 and name p) 10.000 2.000 2.000\par
assi (resi 10  and name p) (resi  28 and name p) 10.500 2.000 2.000\par
\par
assi (resi 11  and name p) (resi  25 and name p) 12.000 2.000 2.000\par
assi (resi 11  and name p) (resi  26 and name p) 10.000 2.000 2.000\par
assi (resi 11  and name p) (resi  27 and name p) 10.500 2.000 2.000\par
\par
assi (resi 12  and name p) (resi  24 and name p) 12.000 2.000 2.000\par
assi (resi 12  and name p) (resi  25 and name p) 10.000 2.000 2.000\par
assi (resi 12  and name p) (resi  26 and name p) 10.500 2.000 2.000\par
\par
assi (resi 13  and name p) (resi  24 and name p) 10.000 2.000 2.000\par
assi (resi 13  and name p) (resi  25 and name p) 10.500 2.000 2.000\par
\par
assi (resi 53  and name p) (resi  69 and name p) 12.000 2.000 2.000\par
assi (resi 53  and name p) (resi  70 and name p) 10.000 2.000 2.000\par
assi (resi 53  and name p) (resi  71 and name p) 10.500 2.000 2.000\par
\par
assi (resi 54  and name p) (resi  68 and name p) 12.000 2.000 2.000\par
assi (resi 54  and name p) (resi  69 and name p) 10.000 2.000 2.000\par
assi (resi 54  and name p) (resi  70 and name p) 10.500 2.000 2.000\par
\par
assi (resi 55  and name p) (resi  67 and name p) 12.000 2.000 2.000\par
assi (resi 55  and name p) (resi  68 and name p) 10.000 2.000 2.000\par
assi (resi 55  and name p) (resi  69 and name p) 10.500 2.000 2.000\par
\par
assi (resi 56  and name p) (resi  67 and name p) 10.000 2.000 2.000\par
assi (resi 56  and name p) (resi  68 and name p) 10.500 2.000 2.000\par
\par
! cobalt hexamine restriants\par
\par
assi (resi 101  and name CO) (resi 18   and name H1) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 19   and name H1) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 20   and name H1) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 25   and name H3) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 26   and name H3) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 17   and name H8) 6.000 2.800 1.200 \par
assi (resi 101  and name CO) (resi 18   and name H8) 6.000 2.800 1.200\par
assi (resi 101  and name CO) (resi 24   and name H5) 6.000 2.800 1.200\par
assi (resi 101  and name CO) (resi 25   and name H5) 6.000 2.800 1.200\par
\par
assi (resi 102  and name CO) (resi 9   and name H8) 6.000 2.800 1.200\par
assi (resi 102  and name CO) (resi 34   and name H5) 6.000 2.800 1.200\par
\par
\par
assi (resi 103  and name CO) (resi 61   and name H1) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 62   and name H1) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 63   and name H1) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 68   and name H3) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 69   and name H3) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 60   and name H8) 6.000 2.800 1.200 \par
assi (resi 103  and name CO) (resi 61   and name H8) 6.000 2.800 1.200\par
assi (resi 103  and name CO) (resi 67   and name H5) 6.000 2.800 1.200\par
assi (resi 103  and name CO) (resi 68   and name H5) 6.000 2.800 1.200\par
\par
assi (resi 104  and name CO) (resi 52   and name H8) 6.000 2.800 1.200\par
assi (resi 104  and name CO) (resi 77   and name H5) 6.000 2.800 1.200\par
\par
\par
! basepair H-bonds for tecto\par
\par
!Hydrogen bond restraints for GU wobble pairs\par
\par
assi (resi  1 and name  h1) (resi 43 and name  o2) 1.89 0.00 0.00\par
assi (resi  1 and name  n1) (resi 43 and name  o2) 2.90 0.20 0.20\par
assi (resi  1 and name  o6) (resi 43 and name  h3) 1.95 0.00 0.00\par
assi (resi  1 and name  o6) (resi 43 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 39 and name  h1) (resi  5 and name  o2) 1.89 0.00 0.00\par
assi (resi 39 and name  n1) (resi  5 and name  o2) 2.90 0.20 0.20\par
assi (resi 39 and name  o6) (resi  5 and name  h3) 1.95 0.00 0.00\par
assi (resi 39 and name  o6) (resi  5 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 17 and name  h1) (resi 26 and name  o2) 1.89 0.00 0.00\par
assi (resi 17 and name  n1) (resi 26 and name  o2) 2.90 0.20 0.20\par
assi (resi 17 and name  o6) (resi 26 and name  h3) 1.95 0.00 0.00\par
assi (resi 17 and name  o6) (resi 26 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 18 and name  h1) (resi 25 and name  o2) 1.89 0.00 0.00\par
assi (resi 18 and name  n1) (resi 25 and name  o2) 2.90 0.20 0.20\par
assi (resi 18 and name  o6) (resi 25 and name  h3) 1.95 0.00 0.00\par
assi (resi 18 and name  o6) (resi 25 and name  n3) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for GC WC pairs\par
\par
assi (resi  2 and name  h1) (resi 42 and name  n3) 1.89 0.00 0.00\par
assi (resi  2 and name  n1) (resi 42 and name  n3) 2.90 0.20 0.20\par
assi (resi  2 and name  o6) (resi 42 and name h41) 1.95 0.00 0.00\par
assi (resi  2 and name  o6) (resi 42 and name  n4) 2.95 0.20 0.20\par
assi (resi  2 and name h21) (resi 42 and name  o2) 1.95 0.00 0.00\par
assi (resi  2 and name  n2) (resi 42 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi  3 and name  h1) (resi 41 and name  n3) 1.89 0.00 0.00\par
assi (resi  3 and name  n1) (resi 41 and name  n3) 2.90 0.20 0.20\par
assi (resi  3 and name  o6) (resi 41 and name h41) 1.95 0.00 0.00\par
assi (resi  3 and name  o6) (resi 41 and name  n4) 2.95 0.20 0.20\par
assi (resi  3 and name h21) (resi 41 and name  o2) 1.95 0.00 0.00\par
assi (resi  3 and name  n2) (resi 41 and name  o2) 2.95 0.20 0.20\par
\par
\par
assi (resi  8 and name  h1) (resi 35 and name  n3) 1.89 0.00 0.00\par
assi (resi  8 and name  n1) (resi 35 and name  n3) 2.90 0.20 0.20\par
assi (resi  8 and name  o6) (resi 35 and name h41) 1.95 0.00 0.00\par
assi (resi  8 and name  o6) (resi 35 and name  n4) 2.95 0.20 0.20\par
assi (resi  8 and name h21) (resi 35 and name  o2) 1.95 0.00 0.00\par
assi (resi  8 and name  n2) (resi 35 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi  9 and name  h1) (resi 34 and name  n3) 1.89 0.00 0.00\par
assi (resi  9 and name  n1) (resi 34 and name  n3) 2.90 0.20 0.20\par
assi (resi  9 and name  o6) (resi 34 and name h41) 1.95 0.00 0.00\par
assi (resi  9 and name  o6) (resi 34 and name  n4) 2.95 0.20 0.20\par
assi (resi  9 and name h21) (resi 34 and name  o2) 1.95 0.00 0.00\par
assi (resi  9 and name  n2) (resi 34 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 12 and name  h1) (resi 31 and name  n3) 1.89 0.00 0.00\par
assi (resi 12 and name  n1) (resi 31 and name  n3) 2.90 0.20 0.20\par
assi (resi 12 and name  o6) (resi 31 and name h41) 1.95 0.00 0.00\par
assi (resi 12 and name  o6) (resi 31 and name  n4) 2.95 0.20 0.20\par
assi (resi 12 and name h21) (resi 31 and name  o2) 1.95 0.00 0.00\par
assi (resi 12 and name  n2) (resi 31 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 19 and name  n1) (resi 24 and name  n3) 2.90 0.20 0.20\par
assi (resi 19 and name  o6) (resi 24 and name h41) 1.95 0.00 0.00\par
assi (resi 19 and name  o6) (resi 24 and name  n4) 2.95 0.20 0.20\par
assi (resi 19 and name h21) (resi 24 and name  o2) 1.95 0.00 0.00\par
assi (resi 19 and name  n2) (resi 24 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 27 and name  h1) (resi 16 and name  n3) 1.89 0.00 0.00\par
assi (resi 27 and name  n1) (resi 16 and name  n3) 2.90 0.20 0.20\par
assi (resi 27 and name  o6) (resi 16 and name h41) 1.95 0.00 0.00\par
assi (resi 27 and name  o6) (resi 16 and name  n4) 2.95 0.20 0.20\par
assi (resi 27 and name h21) (resi 16 and name  o2) 1.95 0.00 0.00\par
assi (resi 27 and name  n2) (resi 16 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 28 and name  h1) (resi 15 and name  n3) 1.89 0.00 0.00\par
assi (resi 28 and name  n1) (resi 15 and name  n3) 2.90 0.20 0.20\par
assi (resi 28 and name  o6) (resi 15 and name h41) 1.95 0.00 0.00\par
assi (resi 28 and name  o6) (resi 15 and name  n4) 2.95 0.20 0.20\par
assi (resi 28 and name h21) (resi 15 and name  o2) 1.95 0.00 0.00\par
assi (resi 28 and name  n2) (resi 15 and name  o2) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for AU WC pairs\par
\par
assi (resi 40 and name  h3) (resi  4 and name  n1) 1.89 0.00 0.00\par
assi (resi 40 and name  n3) (resi  4 and name  n1) 2.90 0.20 0.20\par
assi (resi 40 and name  o4) (resi  4 and name h61) 1.95 0.00 0.00\par
assi (resi 40 and name  o4) (resi  4 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 33 and name  h3) (resi 10 and name  n1) 1.89 0.00 0.00\par
assi (resi 33 and name  n3) (resi 10 and name  n1) 2.90 0.20 0.20\par
assi (resi 33 and name  o4) (resi 10 and name h61) 1.95 0.00 0.00\par
assi (resi 33 and name  o4) (resi 10 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 32 and name  h3) (resi 11 and name  n1) 1.89 0.00 0.00\par
assi (resi 32 and name  n3) (resi 11 and name  n1) 2.90 0.20 0.20\par
assi (resi 32 and name  o4) (resi 11 and name h61) 1.95 0.00 0.00\par
assi (resi 32 and name  o4) (resi 11 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 30 and name  h3) (resi 13 and name  n1) 1.89 0.00 0.00\par
assi (resi 30 and name  n3) (resi 13 and name  n1) 2.90 0.20 0.20\par
assi (resi 30 and name  o4) (resi 13 and name h61) 1.95 0.00 0.00\par
assi (resi 30 and name  o4) (resi 13 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 29 and name  h3) (resi 14 and name  n1) 1.89 0.00 0.00\par
assi (resi 29 and name  n3) (resi 14 and name  n1) 2.90 0.20 0.20\par
assi (resi 29 and name  o4) (resi 14 and name h61) 1.95 0.00 0.00\par
assi (resi 29 and name  o4) (resi 14 and name  n6) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for non-WC pairs\par
\par
assi (resi 38 and name  n6) (resi 37 and name  n3) 2.95 0.30 0.30\par
assi (resi 38 and name h62) (resi 37 and name  n3) 1.95 0.20 0.20\par
\par
assi (resi 20 and name h22) (resi 23 and name  n7) 1.89 0.00 0.00\par
assi (resi 20 and name  n2) (resi 23 and name  n7) 2.90 0.20 0.20\par
assi (resi 20 and name  n3) (resi 23 and name h62) 1.95 0.00 0.00\par
assi (resi 20 and name  n3) (resi 23 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi  6 and name h62) (resi 36 and name  o2) 1.89 0.00 0.00\par
assi (resi  6 and name  n6) (resi 36 and name  o2) 2.90 0.20 0.20\par
assi (resi  6 and name  n7) (resi 36 and name  h3) 1.95 0.00 0.00\par
assi (resi  6 and name  n7) (resi 36 and name  n3) 2.95 0.20 0.20\par
\par
! molecule B\par
\par
!Hydrogen bond restraints for GU wobble pairs\par
\par
assi (resi 44 and name  h1) (resi 86 and name  o2) 1.89 0.00 0.00\par
assi (resi 44 and name  n1) (resi 86 and name  o2) 2.90 0.20 0.20\par
assi (resi 44 and name  o6) (resi 86 and name  h3) 1.95 0.00 0.00\par
assi (resi 44 and name  o6) (resi 86 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 82 and name  h1) (resi 48 and name  o2) 1.89 0.00 0.00\par
assi (resi 82 and name  n1) (resi 48 and name  o2) 2.90 0.20 0.20\par
assi (resi 82 and name  o6) (resi 48 and name  h3) 1.95 0.00 0.00\par
assi (resi 82 and name  o6) (resi 48 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 60 and name  h1) (resi 69 and name  o2) 1.89 0.00 0.00\par
assi (resi 60 and name  n1) (resi 69 and name  o2) 2.90 0.20 0.20\par
assi (resi 60 and name  o6) (resi 69 and name  h3) 1.95 0.00 0.00\par
assi (resi 60 and name  o6) (resi 69 and name  n3) 2.95 0.20 0.20\par
\par
assi (resi 61 and name  h1) (resi 68 and name  o2) 1.89 0.00 0.00\par
assi (resi 61 and name  n1) (resi 68 and name  o2) 2.90 0.20 0.20\par
assi (resi 61 and name  o6) (resi 68 and name  h3) 1.95 0.00 0.00\par
assi (resi 61 and name  o6) (resi 68 and name  n3) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for GC WC pairs\par
\par
assi (resi 45 and name  h1) (resi 85 and name  n3) 1.89 0.00 0.00\par
assi (resi 45 and name  n1) (resi 85 and name  n3) 2.90 0.20 0.20\par
assi (resi 45 and name  o6) (resi 85 and name h41) 1.95 0.00 0.00\par
assi (resi 45 and name  o6) (resi 85 and name  n4) 2.95 0.20 0.20\par
assi (resi 45 and name h21) (resi 85 and name  o2) 1.95 0.00 0.00\par
assi (resi 45 and name  n2) (resi 85 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 46 and name  h1) (resi 84 and name  n3) 1.89 0.00 0.00\par
assi (resi 46 and name  n1) (resi 84 and name  n3) 2.90 0.20 0.20\par
assi (resi 46 and name  o6) (resi 84 and name h41) 1.95 0.00 0.00\par
assi (resi 46 and name  o6) (resi 84 and name  n4) 2.95 0.20 0.20\par
assi (resi 46 and name h21) (resi 84 and name  o2) 1.95 0.00 0.00\par
assi (resi 46 and name  n2) (resi 84 and name  o2) 2.95 0.20 0.20\par
\par
\par
assi (resi 51 and name  h1) (resi 78 and name  n3) 1.89 0.00 0.00\par
assi (resi 51 and name  n1) (resi 78 and name  n3) 2.90 0.20 0.20\par
assi (resi 51 and name  o6) (resi 78 and name h41) 1.95 0.00 0.00\par
assi (resi 51 and name  o6) (resi 78 and name  n4) 2.95 0.20 0.20\par
assi (resi 51 and name h21) (resi 78 and name  o2) 1.95 0.00 0.00\par
assi (resi 51 and name  n2) (resi 78 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 52 and name  h1) (resi 77 and name  n3) 1.89 0.00 0.00\par
assi (resi 52 and name  n1) (resi 77 and name  n3) 2.90 0.20 0.20\par
assi (resi 52 and name  o6) (resi 77 and name h41) 1.95 0.00 0.00\par
assi (resi 52 and name  o6) (resi 77 and name  n4) 2.95 0.20 0.20\par
assi (resi 52 and name h21) (resi 77 and name  o2) 1.95 0.00 0.00\par
assi (resi 52 and name  n2) (resi 77 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 55 and name  h1) (resi 74 and name  n3) 1.89 0.00 0.00\par
assi (resi 55 and name  n1) (resi 74 and name  n3) 2.90 0.20 0.20\par
assi (resi 55 and name  o6) (resi 74 and name h41) 1.95 0.00 0.00\par
assi (resi 55 and name  o6) (resi 74 and name  n4) 2.95 0.20 0.20\par
assi (resi 55 and name h21) (resi 74 and name  o2) 1.95 0.00 0.00\par
assi (resi 55 and name  n2) (resi 74 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 62 and name  n1) (resi 67 and name  n3) 2.90 0.20 0.20\par
assi (resi 62 and name  o6) (resi 67 and name h41) 1.95 0.00 0.00\par
assi (resi 62 and name  o6) (resi 67 and name  n4) 2.95 0.20 0.20\par
assi (resi 62 and name h21) (resi 67 and name  o2) 1.95 0.00 0.00\par
assi (resi 62 and name  n2) (resi 67 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 70 and name  h1) (resi 59 and name  n3) 1.89 0.00 0.00\par
assi (resi 70 and name  n1) (resi 59 and name  n3) 2.90 0.20 0.20\par
assi (resi 70 and name  o6) (resi 59 and name h41) 1.95 0.00 0.00\par
assi (resi 70 and name  o6) (resi 59 and name  n4) 2.95 0.20 0.20\par
assi (resi 70 and name h21) (resi 59 and name  o2) 1.95 0.00 0.00\par
assi (resi 70 and name  n2) (resi 59 and name  o2) 2.95 0.20 0.20\par
\par
assi (resi 71 and name  h1) (resi 58 and name  n3) 1.89 0.00 0.00\par
assi (resi 71 and name  n1) (resi 58 and name  n3) 2.90 0.20 0.20\par
assi (resi 71 and name  o6) (resi 58 and name h41) 1.95 0.00 0.00\par
assi (resi 71 and name  o6) (resi 58 and name  n4) 2.95 0.20 0.20\par
assi (resi 71 and name h21) (resi 58 and name  o2) 1.95 0.00 0.00\par
assi (resi 71 and name  n2) (resi 58 and name  o2) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for AU WC pairs\par
\par
assi (resi 83 and name  h3) (resi 47 and name  n1) 1.89 0.00 0.00\par
assi (resi 83 and name  n3) (resi 47 and name  n1) 2.90 0.20 0.20\par
assi (resi 83 and name  o4) (resi 47 and name h61) 1.95 0.00 0.00\par
assi (resi 83 and name  o4) (resi 47 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 76 and name  h3) (resi 53 and name  n1) 1.89 0.00 0.00\par
assi (resi 76 and name  n3) (resi 53 and name  n1) 2.90 0.20 0.20\par
assi (resi 76 and name  o4) (resi 53 and name h61) 1.95 0.00 0.00\par
assi (resi 76 and name  o4) (resi 53 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 75 and name  h3) (resi 54 and name  n1) 1.89 0.00 0.00\par
assi (resi 75 and name  n3) (resi 54 and name  n1) 2.90 0.20 0.20\par
assi (resi 75 and name  o4) (resi 54 and name h61) 1.95 0.00 0.00\par
assi (resi 75 and name  o4) (resi 54 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 73 and name  h3) (resi 56 and name  n1) 1.89 0.00 0.00\par
assi (resi 73 and name  n3) (resi 56 and name  n1) 2.90 0.20 0.20\par
assi (resi 73 and name  o4) (resi 56 and name h61) 1.95 0.00 0.00\par
assi (resi 73 and name  o4) (resi 56 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 72 and name  h3) (resi 57 and name  n1) 1.89 0.00 0.00\par
assi (resi 72 and name  n3) (resi 57 and name  n1) 2.90 0.20 0.20\par
assi (resi 72 and name  o4) (resi 57 and name h61) 1.95 0.00 0.00\par
assi (resi 72 and name  o4) (resi 57 and name  n6) 2.95 0.20 0.20\par
\par
!Hydrogen bond restraints for non-WC pairs\par
\par
assi (resi 81 and name  n6) (resi 80 and name  n3) 2.95 0.30 0.30\par
assi (resi 81 and name h62) (resi 80 and name  n3) 1.95 0.20 0.20\par
\par
assi (resi 63 and name h22) (resi 66 and name  n7) 1.89 0.00 0.00\par
assi (resi 63 and name  n2) (resi 66 and name  n7) 2.90 0.20 0.20\par
assi (resi 63 and name  n3) (resi 66 and name h62) 1.95 0.00 0.00\par
assi (resi 63 and name  n3) (resi 66 and name  n6) 2.95 0.20 0.20\par
\par
assi (resi 49 and name h62) (resi 79 and name  o2) 1.89 0.00 0.00\par
assi (resi 49 and name  n6) (resi 79 and name  o2) 2.90 0.20 0.20\par
assi (resi 49 and name  n7) (resi 79 and name  h3) 1.95 0.00 0.00\par
assi (resi 49 and name  n7) (resi 79 and name  n3) 2.95 0.20 0.20\par
\par
! intermolecular hydrogen bonds\par
\par
assi (resi 21 and name h61) (resi 49 and name  n1) 1.89 0.10 0.10\par
assi (resi 21 and name  n6) (resi 49 and name  n1) 2.90 0.20 0.20\par
assi (resi 49 and name h61) (resi 21 and name  n1) 1.89 0.10 0.10\par
assi (resi 49 and name  n6) (resi 21 and name  n1) 2.90 0.20 0.20\par
assi (resi 64 and name h61) (resi  6 and name  n1) 1.89 0.10 0.10\par
assi (resi 64 and name  n6) (resi  6 and name  n1) 2.90 0.20 0.20\par
assi (resi  6 and name h61) (resi 64 and name  n1) 1.89 0.10 0.10\par
assi (resi  6 and name  n6) (resi 64 and name  n1) 2.90 0.20 0.20\par
\par
assi (resi  8 and name h22) (resi 66 and name  n3) 1.89 0.00 0.00\par
assi (resi  8 and name  n2) (resi 66 and name  n3) 2.90 0.20 0.20\par
assi (resi 51 and name h22) (resi 23 and name  n3) 1.89 0.00 0.00\par
assi (resi 51 and name  n2) (resi 23 and name  n3) 2.90 0.20 0.20\par
\par
\par
\{*backbone dihedral angles*\}\par
\{*to constrain these regions to ideal A form RNA*\}\par
\par
\tab\tab\tab\tab                                  \par
 assign (resi   1 and name O5*  )                        \par
        (resi   1 and name C5*  )                        \par
        (resi   1 and name C4*  )                        \par
        (resi   1 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   1 and name C5*  )                        \par
        (resi   1 and name C4*  )                        \par
        (resi   1 and name C3*  )                        \par
        (resi   1 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   1 and name C4*  )                        \par
        (resi   1 and name C3*  )                        \par
        (resi   1 and name O3*  )                        \par
        (resi   2 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   1 and name C3*  )                        \par
        (resi   1 and name O3*  )                        \par
        (resi   2 and name P    )                        \par
        (resi   2 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   1 and name O3*  )                        \par
        (resi   2 and name P    )                        \par
        (resi   2 and name O5*  )                        \par
        (resi   2 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   2 and name P    )                        \par
        (resi   2 and name O5*  )                        \par
        (resi   2 and name C5*  )                        \par
        (resi   2 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   2 and name O5*  )                        \par
        (resi   2 and name C5*  )                        \par
        (resi   2 and name C4*  )                        \par
        (resi   2 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   2 and name C5*  )                        \par
        (resi   2 and name C4*  )                        \par
        (resi   2 and name C3*  )                        \par
        (resi   2 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   2 and name C4*  )                        \par
        (resi   2 and name C3*  )                        \par
        (resi   2 and name O3*  )                        \par
        (resi   3 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   2 and name C3*  )                        \par
        (resi   2 and name O3*  )                        \par
        (resi   3 and name P    )                        \par
        (resi   3 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   2 and name O3*  )                        \par
        (resi   3 and name P    )                        \par
        (resi   3 and name O5*  )                        \par
        (resi   3 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   3 and name P    )                        \par
        (resi   3 and name O5*  )                        \par
        (resi   3 and name C5*  )                        \par
        (resi   3 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   3 and name O5*  )                        \par
        (resi   3 and name C5*  )                        \par
        (resi   3 and name C4*  )                        \par
        (resi   3 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   3 and name C5*  )                        \par
        (resi   3 and name C4*  )                        \par
        (resi   3 and name C3*  )                        \par
        (resi   3 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   3 and name C4*  )                        \par
        (resi   3 and name C3*  )                        \par
        (resi   3 and name O3*  )                        \par
        (resi   4 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   3 and name C3*  )                        \par
        (resi   3 and name O3*  )                        \par
        (resi   4 and name P    )                        \par
        (resi   4 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   3 and name O3*  )                        \par
        (resi   4 and name P    )                        \par
        (resi   4 and name O5*  )                        \par
        (resi   4 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   4 and name P    )                        \par
        (resi   4 and name O5*  )                        \par
        (resi   4 and name C5*  )                        \par
        (resi   4 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   4 and name O5*  )                        \par
        (resi   4 and name C5*  )                        \par
        (resi   4 and name C4*  )                        \par
        (resi   4 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   4 and name C5*  )                        \par
        (resi   4 and name C4*  )                        \par
        (resi   4 and name C3*  )                        \par
        (resi   4 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   4 and name C4*  )                        \par
        (resi   4 and name C3*  )                        \par
        (resi   4 and name O3*  )                        \par
        (resi   5 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   4 and name C3*  )                        \par
        (resi   4 and name O3*  )                        \par
        (resi   5 and name P    )                        \par
        (resi   5 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   4 and name O3*  )                        \par
        (resi   5 and name P    )                        \par
        (resi   5 and name O5*  )                        \par
        (resi   5 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   5 and name P    )                        \par
        (resi   5 and name O5*  )                        \par
        (resi   5 and name C5*  )                        \par
        (resi   5 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   10 and name O5*  )                        \par
        (resi   10 and name C5*  )                        \par
        (resi   10 and name C4*  )                        \par
        (resi   10 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   10 and name C5*  )                        \par
        (resi   10 and name C4*  )                        \par
        (resi   10 and name C3*  )                        \par
        (resi   10 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   10 and name C4*  )                        \par
        (resi   10 and name C3*  )                        \par
        (resi   10 and name O3*  )                        \par
        (resi   11 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   10 and name C3*  )                        \par
        (resi   10 and name O3*  )                        \par
        (resi   11 and name P    )                        \par
        (resi   11 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab\par
\par
 assign (resi   10 and name O3*  )                        \par
        (resi   11 and name P    )                        \par
        (resi   11 and name O5*  )                        \par
        (resi   11 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \tab       \tab\tab                               \par
 assign (resi   11 and name P    )                        \par
        (resi   11 and name O5*  )                        \par
        (resi   11 and name C5*  )                        \par
        (resi   11 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
 \par
 assign (resi   11 and name O5*  )                        \par
        (resi   11 and name C5*  )                        \par
        (resi   11 and name C4*  )                        \par
        (resi   11 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   11 and name C5*  )                        \par
        (resi   11 and name C4*  )                        \par
        (resi   11 and name C3*  )                        \par
        (resi   11 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   11 and name C4*  )                        \par
        (resi   11 and name C3*  )                        \par
        (resi   11 and name O3*  )                        \par
        (resi   12 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   11 and name C3*  )                        \par
        (resi   11 and name O3*  )                        \par
        (resi   12 and name P    )                        \par
        (resi   12 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   11 and name O3*  )                        \par
        (resi   12 and name P    )                        \par
        (resi   12 and name O5*  )                        \par
        (resi   12 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   12 and name P    )                        \par
        (resi   12 and name O5*  )                        \par
        (resi   12 and name C5*  )                        \par
        (resi   12 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   12 and name O5*  )                        \par
        (resi   12 and name C5*  )                        \par
        (resi   12 and name C4*  )                        \par
        (resi   12 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   12 and name C5*  )                        \par
        (resi   12 and name C4*  )                        \par
        (resi   12 and name C3*  )                        \par
        (resi   12 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   12 and name C4*  )                        \par
        (resi   12 and name C3*  )                        \par
        (resi   12 and name O3*  )                        \par
        (resi   13 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   12 and name C3*  )                        \par
        (resi   12 and name O3*  )                        \par
        (resi   13 and name P    )                        \par
        (resi   13 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   12 and name O3*  )                        \par
        (resi   13 and name P    )                        \par
        (resi   13 and name O5*  )                        \par
        (resi   13 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   13 and name P    )                        \par
        (resi   13 and name O5*  )                        \par
        (resi   13 and name C5*  )                        \par
        (resi   13 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   13 and name O5*  )                        \par
        (resi   13 and name C5*  )                        \par
        (resi   13 and name C4*  )                        \par
        (resi   13 and name C3*  )   1.0   47.44   20.0  2 \{*gamma*\}\par
\tab       \tab                            \par
 assign (resi   13 and name C5*  )                        \par
        (resi   13 and name C4*  )                        \par
        (resi   13 and name C3*  )                        \par
        (resi   13 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   13 and name C4*  )                        \par
        (resi   13 and name C3*  )                        \par
        (resi   13 and name O3*  )                        \par
        (resi   14 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   13 and name C3*  )                        \par
        (resi   13 and name O3*  )                        \par
        (resi   14 and name P    )                        \par
        (resi   14 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}          \par
\par
 assign (resi   13 and name O3*  )                        \par
        (resi   14 and name P    )                        \par
        (resi   14 and name O5*  )                        \par
        (resi   14 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   14 and name P    )                        \par
        (resi   14 and name O5*  )                        \par
        (resi   14 and name C5*  )                        \par
        (resi   14 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   14 and name O5*  )                        \par
        (resi   14 and name C5*  )                        \par
        (resi   14 and name C4*  )                        \par
        (resi   14 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab                            \par
 assign (resi   14 and name C5*  )                        \par
        (resi   14 and name C4*  )                        \par
        (resi   14 and name C3*  )                        \par
        (resi   14 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   14 and name C4*  )                        \par
        (resi   14 and name C3*  )                        \par
        (resi   14 and name O3*  )                        \par
        (resi   15 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}        \par
\par
 assign  ( resi 14 and name C3*  )                        \par
         ( resi 14 and name O3*  )                        \par
         ( resi 15 and name P    )                        \par
         ( resi 15 and name O5*  )   3.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign  ( resi 14 and name O3*  )                        \par
         ( resi 15 and name P    )                        \par
         ( resi 15 and name O5*  )                        \par
         ( resi 15 and name C5*  )   3.0   -62.1    20.0  2 \{*alpha*\}    \par
\par
 assign (resi   15 and name P    )                        \par
        (resi   15 and name O5*  )                        \par
        (resi   15 and name C5*  )                        \par
        (resi   15 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   15 and name O5*  )                        \par
        (resi   15 and name C5*  )                        \par
        (resi   15 and name C4*  )                        \par
        (resi   15 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   15 and name C5*  )                        \par
        (resi   15 and name C4*  )                        \par
        (resi   15 and name C3*  )                        \par
        (resi   15 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   15 and name C4*  )                        \par
        (resi   15 and name C3*  )                        \par
        (resi   15 and name O3*  )                        \par
        (resi   16 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   15 and name C3*  )                        \par
        (resi   15 and name O3*  )                        \par
        (resi   16 and name P    )                        \par
        (resi   16 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   15 and name O3*  )                        \par
        (resi   16 and name P    )                        \par
        (resi   16 and name O5*  )                        \par
        (resi   16 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   16 and name P    )                        \par
        (resi   16 and name O5*  )                        \par
        (resi   16 and name C5*  )                        \par
        (resi   16 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   16 and name O5*  )                        \par
        (resi   16 and name C5*  )                        \par
        (resi   16 and name C4*  )                        \par
        (resi   16 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   16 and name C5*  )                        \par
        (resi   16 and name C4*  )                        \par
        (resi   16 and name C3*  )                        \par
        (resi   16 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   16 and name C4*  )                        \par
        (resi   16 and name C3*  )                        \par
        (resi   16 and name O3*  )                        \par
        (resi   17 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   16 and name C3*  )                        \par
        (resi   16 and name O3*  )                        \par
        (resi   17 and name P    )                        \par
        (resi   17 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab\par
 assign (resi   16 and name O3*  )                        \par
        (resi   17 and name P    )                        \par
        (resi   17 and name O5*  )                        \par
        (resi   17 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   17 and name P    )                        \par
        (resi   17 and name O5*  )                        \par
        (resi   17 and name C5*  )                        \par
        (resi   17 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   17 and name O5*  )                        \par
        (resi   17 and name C5*  )                        \par
        (resi   17 and name C4*  )                        \par
        (resi   17 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   17 and name C5*  )                        \par
        (resi   17 and name C4*  )                        \par
        (resi   17 and name C3*  )                        \par
        (resi   17 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   17 and name C4*  )                        \par
        (resi   17 and name C3*  )                        \par
        (resi   17 and name O3*  )                        \par
        (resi   18 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   17 and name C3*  )                        \par
        (resi   17 and name O3*  )                        \par
        (resi   18 and name P    )                        \par
        (resi   18 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   17 and name O3*  )                        \par
        (resi   18 and name P    )                        \par
        (resi   18 and name O5*  )                        \par
        (resi   18 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   18 and name P    )                        \par
        (resi   18 and name O5*  )                        \par
        (resi   18 and name C5*  )                        \par
        (resi   18 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   18 and name O5*  )                        \par
        (resi   18 and name C5*  )                        \par
        (resi   18 and name C4*  )                        \par
        (resi   18 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   18 and name C5*  )                        \par
        (resi   18 and name C4*  )                        \par
        (resi   18 and name C3*  )                        \par
        (resi   18 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   18 and name C4*  )                        \par
        (resi   18 and name C3*  )                        \par
        (resi   18 and name O3*  )                        \par
        (resi   19 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   18 and name C3*  )                        \par
        (resi   18 and name O3*  )                        \par
        (resi   19 and name P    )                        \par
        (resi   19 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   18 and name O3*  )                        \par
        (resi   19 and name P    )                        \par
        (resi   19 and name O5*  )                        \par
        (resi   19 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   19 and name P    )                        \par
        (resi   19 and name O5*  )                        \par
        (resi   19 and name C5*  )                        \par
        (resi   19 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   19 and name O5*  )                        \par
        (resi   19 and name C5*  )                        \par
        (resi   19 and name C4*  )                        \par
        (resi   19 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   19 and name C5*  )                        \par
        (resi   19 and name C4*  )                        \par
        (resi   19 and name C3*  )                        \par
        (resi   19 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\par
\tab       \tab\tab                            \par
  assign (resi   24 and name O5*  )                        \par
        (resi   24 and name C5*  )                        \par
        (resi   24 and name C4*  )                        \par
        (resi   24 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   24 and name C5*  )                        \par
        (resi   24 and name C4*  )                        \par
        (resi   24 and name C3*  )                        \par
        (resi   24 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   24 and name C4*  )                        \par
        (resi   24 and name C3*  )                        \par
        (resi   24 and name O3*  )                        \par
        (resi   25 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   24 and name C3*  )                        \par
        (resi   24 and name O3*  )                        \par
        (resi   25 and name P    )                        \par
        (resi   25 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   24 and name O3*  )                        \par
        (resi   25 and name P    )                        \par
        (resi   25 and name O5*  )                        \par
        (resi   25 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   25 and name P    )                        \par
        (resi   25 and name O5*  )                        \par
        (resi   25 and name C5*  )                        \par
        (resi   25 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   25 and name O5*  )                        \par
        (resi   25 and name C5*  )                        \par
        (resi   25 and name C4*  )                        \par
        (resi   25 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   25 and name C5*  )                        \par
        (resi   25 and name C4*  )                        \par
        (resi   25 and name C3*  )                        \par
        (resi   25 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   25 and name C4*  )                        \par
        (resi   25 and name C3*  )                        \par
        (resi   25 and name O3*  )                        \par
        (resi   26 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   25 and name C3*  )                        \par
        (resi   25 and name O3*  )                        \par
        (resi   26 and name P    )                        \par
        (resi   26 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   25 and name O3*  )                        \par
        (resi   26 and name P    )                        \par
        (resi   26 and name O5*  )                        \par
        (resi   26 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   26 and name P    )                        \par
        (resi   26 and name O5*  )                        \par
        (resi   26 and name C5*  )                        \par
        (resi   26 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   26 and name O5*  )                        \par
        (resi   26 and name C5*  )                        \par
        (resi   26 and name C4*  )                        \par
        (resi   26 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   26 and name C5*  )                        \par
        (resi   26 and name C4*  )                        \par
        (resi   26 and name C3*  )                        \par
        (resi   26 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab  \par
 assign (resi   26 and name C4*  )                        \par
        (resi   26 and name C3*  )                        \par
        (resi   26 and name O3*  )                        \par
        (resi   27  and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   26 and name C3*  )                        \par
        (resi   26 and name O3*  )                        \par
        (resi   27 and name P    )                        \par
        (resi   27 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   26 and name O3*  )                        \par
        (resi   27 and name P    )                        \par
        (resi   27 and name O5*  )                        \par
        (resi   27 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   27 and name P    )                        \par
        (resi   27 and name O5*  )                        \par
        (resi   27 and name C5*  )                        \par
        (resi   27 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   27 and name O5*  )                        \par
        (resi   27 and name C5*  )                        \par
        (resi   27 and name C4*  )                        \par
        (resi   27 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   27 and name C5*  )                        \par
        (resi   27 and name C4*  )                        \par
        (resi   27 and name C3*  )                        \par
        (resi   27 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   27 and name C4*  )                        \par
        (resi   27 and name C3*  )                        \par
        (resi   27 and name O3*  )                        \par
        (resi   28 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   27 and name C3*  )                        \par
        (resi   27 and name O3*  )                        \par
        (resi   28 and name P    )                        \par
        (resi   28 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   27 and name O3*  )                        \par
        (resi   28 and name P    )                        \par
        (resi   28 and name O5*  )                        \par
        (resi   28 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   28 and name P    )                        \par
        (resi   28 and name O5*  )                        \par
        (resi   28 and name C5*  )                        \par
        (resi   28 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   28 and name O5*  )                        \par
        (resi   28 and name C5*  )                        \par
        (resi   28 and name C4*  )                        \par
        (resi   28 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   28 and name C5*  )                        \par
        (resi   28 and name C4*  )                        \par
        (resi   28 and name C3*  )                        \par
        (resi   28 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}      \tab\tab  \par
 assign (resi   28 and name C4*  )                        \par
        (resi   28 and name C3*  )                        \par
        (resi   28 and name O3*  )                        \par
        (resi   29 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   28 and name C3*  )                        \par
        (resi   28 and name O3*  )                        \par
        (resi   29 and name P    )                        \par
        (resi   29 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   28 and name O3*  )                        \par
        (resi   29 and name P    )                        \par
        (resi   29 and name O5*  )                        \par
        (resi   29 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   29 and name P    )                        \par
        (resi   29 and name O5*  )                        \par
        (resi   29 and name C5*  )                        \par
        (resi   29 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   29 and name O5*  )                        \par
        (resi   29 and name C5*  )                        \par
        (resi   29 and name C4*  )                        \par
        (resi   29 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   29 and name C5*  )                        \par
        (resi   29 and name C4*  )                        \par
        (resi   29 and name C3*  )                        \par
        (resi   29 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   29 and name C4*  )                        \par
        (resi   29 and name C3*  )                        \par
        (resi   29 and name O3*  )                        \par
        (resi   30 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   29 and name C3*  )                        \par
        (resi   29 and name O3*  )                        \par
        (resi   30 and name P    )                        \par
        (resi   30 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   29 and name O3*  )                        \par
        (resi   30 and name P    )                        \par
        (resi   30 and name O5*  )                        \par
        (resi   30 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   30 and name P    )                        \par
        (resi   30 and name O5*  )                        \par
        (resi   30 and name C5*  )                        \par
        (resi   30 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   30 and name O5*  )                        \par
        (resi   30 and name C5*  )                        \par
        (resi   30 and name C4*  )                        \par
        (resi   30 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   30 and name C5*  )                        \par
        (resi   30 and name C4*  )                        \par
        (resi   30 and name C3*  )                        \par
        (resi   30 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}   \par
\par
 assign (resi   30 and name C4*  )                        \par
        (resi   30 and name C3*  )                        \par
        (resi   30 and name O3*  )                        \par
        (resi   31 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   30 and name C3*  )                        \par
        (resi   30 and name O3*  )                        \par
        (resi   31 and name P    )                        \par
        (resi   31 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   30 and name O3*  )                        \par
\par
        \par
        (resi   31 and name P    )                        \par
        (resi   31 and name O5*  )                        \par
        (resi   31 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   31 and name P    )                        \par
        (resi   31 and name O5*  )                        \par
        (resi   31 and name C5*  )                        \par
        (resi   31 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   31 and name O5*  )                        \par
        (resi   31 and name C5*  )                        \par
        (resi   31 and name C4*  )                        \par
        (resi   31 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   31 and name C5*  )                        \par
        (resi   31 and name C4*  )                        \par
        (resi   31 and name C3*  )                        \par
        (resi   31 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   31 and name C4*  )                        \par
        (resi   31 and name C3*  )                        \par
        (resi   31 and name O3*  )                        \par
        (resi   32 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   31 and name C3*  )                        \par
        (resi   31 and name O3*  )                        \par
        (resi   32 and name P    )                        \par
        (resi   32 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   31 and name O3*  )                        \par
        (resi   32 and name P    )                        \par
        (resi   32 and name O5*  )                        \par
        (resi   32 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 \par
 assign (resi   32 and name O5*  )                        \par
        (resi   32 and name C5*  )                        \par
        (resi   32 and name C4*  )                        \par
        (resi   32 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   32 and name C5*  )                        \par
        (resi   32 and name C4*  )                        \par
        (resi   32 and name C3*  )                        \par
        (resi   32 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}                      \par
 \par
 assign (resi   32 and name C4*  )                        \par
        (resi   32 and name C3*  )                        \par
        (resi   32 and name O3*  )                        \par
        (resi   33 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   32 and name C3*  )                        \par
        (resi   32 and name O3*  )                        \par
        (resi   33 and name P    )                        \par
        (resi   33 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   32 and name O3*  )                        \par
        (resi   33 and name P    )                        \par
        (resi   33 and name O5*  )                        \par
        (resi   33 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   33 and name P    )                        \par
        (resi   33 and name O5*  )                        \par
        (resi   33 and name C5*  )                        \par
        (resi   33 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   33 and name O5*  )                        \par
        (resi   33 and name C5*  )                        \par
        (resi   33 and name C4*  )                        \par
        (resi   33 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   33 and name C5*  )                        \par
        (resi   33 and name C4*  )                        \par
        (resi   33 and name C3*  )                        \par
        (resi   33 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   33 and name C4*  )                        \par
        (resi   33 and name C3*  )                        \par
        (resi   33 and name O3*  )                        \par
        (resi   34 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   33 and name C3*  )                        \par
        (resi   33 and name O3*  )                        \par
        (resi   34 and name P    )                        \par
        (resi   34 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   40 and name O5*  )                        \par
        (resi   40 and name C5*  )                        \par
        (resi   40 and name C4*  )                        \par
        (resi   40 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   40 and name C5*  )                        \par
        (resi   40 and name C4*  )                        \par
        (resi   40 and name C3*  )                        \par
        (resi   40 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   40 and name C4*  )                        \par
        (resi   40 and name C3*  )                        \par
        (resi   40 and name O3*  )                        \par
        (resi   41 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   40 and name C3*  )                        \par
        (resi   40 and name O3*  )                        \par
        (resi   41 and name P    )                        \par
        (resi   41 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   40 and name O3*  )                        \par
        (resi   41 and name P    )                        \par
        (resi   41 and name O5*  )                        \par
        (resi   41 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   41 and name P    )                        \par
        (resi   41 and name O5*  )                        \par
        (resi   41 and name C5*  )                        \par
        (resi   41 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   41 and name O5*  )                        \par
        (resi   41 and name C5*  )                        \par
        (resi   41 and name C4*  )                        \par
        (resi   41 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   41 and name C5*  )                        \par
        (resi   41 and name C4*  )                        \par
        (resi   41 and name C3*  )                        \par
        (resi   41 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   41 and name C4*  )                        \par
        (resi   41 and name C3*  )                        \par
        (resi   41 and name O3*  )                        \par
        (resi   42 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   41 and name C3*  )                        \par
        (resi   41 and name O3*  )                        \par
        (resi   42 and name P    )                        \par
        (resi   42 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   41 and name O3*  )                        \par
        (resi   42 and name P    )                        \par
        (resi   42 and name O5*  )                        \par
        (resi   42 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   42 and name P    )                        \par
        (resi   42 and name O5*  )                        \par
        (resi   42 and name C5*  )                        \par
        (resi   42 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   42 and name O5*  )                        \par
        (resi   42 and name C5*  )                        \par
        (resi   42 and name C4*  )                        \par
        (resi   42 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   42 and name C5*  )                        \par
        (resi   42 and name C4*  )                        \par
        (resi   42 and name C3*  )                        \par
        (resi   42 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   42 and name C4*  )                        \par
        (resi   42 and name C3*  )                        \par
        (resi   42 and name O3*  )                        \par
        (resi   43 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   42 and name C3*  )                        \par
        (resi   42 and name O3*  )                        \par
        (resi   43 and name P    )                        \par
        (resi   43 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   42 and name O3*  )                        \par
        (resi   43 and name P    )                        \par
        (resi   43 and name O5*  )                        \par
        (resi   43 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   43 and name P    )                        \par
        (resi   43 and name O5*  )                        \par
        (resi   43 and name C5*  )                        \par
        (resi   43 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   43 and name O5*  )                        \par
        (resi   43 and name C5*  )                        \par
        (resi   43 and name C4*  )                        \par
        (resi   43 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   43 and name C5*  )                        \par
        (resi   43 and name C4*  )                        \par
        (resi   43 and name C3*  )                        \par
        (resi   43 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   44 and name O5*  )                        \par
        (resi   44 and name C5*  )                        \par
        (resi   44 and name C4*  )                        \par
        (resi   44 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   44 and name C5*  )                        \par
        (resi   44 and name C4*  )                        \par
        (resi   44 and name C3*  )                        \par
        (resi   44 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   44 and name C4*  )                        \par
        (resi   44 and name C3*  )                        \par
        (resi   44 and name O3*  )                        \par
        (resi   45 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   44 and name C3*  )                        \par
        (resi   44 and name O3*  )                        \par
        (resi   45 and name P    )                        \par
        (resi   45 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   44 and name O3*  )                        \par
        (resi   45 and name P    )                        \par
        (resi   45 and name O5*  )                        \par
        (resi   45 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   45 and name P    )                        \par
        (resi   45 and name O5*  )                        \par
        (resi   45 and name C5*  )                        \par
        (resi   45 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   45 and name O5*  )                        \par
        (resi   45 and name C5*  )                        \par
        (resi   45 and name C4*  )                        \par
        (resi   45 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   45 and name C5*  )                        \par
        (resi   45 and name C4*  )                        \par
        (resi   45 and name C3*  )                        \par
        (resi   45 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   45 and name C4*  )                        \par
        (resi   45 and name C3*  )                        \par
        (resi   45 and name O3*  )                        \par
        (resi   46 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   45 and name C3*  )                        \par
        (resi   45 and name O3*  )                        \par
        (resi   46 and name P    )                        \par
        (resi   46 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   45 and name O3*  )                        \par
        (resi   46 and name P    )                        \par
        (resi   46 and name O5*  )                        \par
        (resi   46 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   46 and name P    )                        \par
        (resi   46 and name O5*  )                        \par
        (resi   46 and name C5*  )                        \par
        (resi   46 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   46 and name O5*  )                        \par
        (resi   46 and name C5*  )                        \par
        (resi   46 and name C4*  )                        \par
        (resi   46 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   46 and name C5*  )                        \par
        (resi   46 and name C4*  )                        \par
        (resi   46 and name C3*  )                        \par
        (resi   46 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   46 and name C4*  )                        \par
        (resi   46 and name C3*  )                        \par
        (resi   46 and name O3*  )                        \par
        (resi   47 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   46 and name C3*  )                        \par
        (resi   46 and name O3*  )                        \par
        (resi   47 and name P    )                        \par
        (resi   47 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   46 and name O3*  )                        \par
        (resi   47 and name P    )                        \par
        (resi   47 and name O5*  )                        \par
        (resi   47 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   47 and name P    )                        \par
        (resi   47 and name O5*  )                        \par
        (resi   47 and name C5*  )                        \par
        (resi   47 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   47 and name O5*  )                        \par
        (resi   47 and name C5*  )                        \par
        (resi   47 and name C4*  )                        \par
        (resi   47 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   47 and name C5*  )                        \par
        (resi   47 and name C4*  )                        \par
        (resi   47 and name C3*  )                        \par
        (resi   47 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   47 and name C4*  )                        \par
        (resi   47 and name C3*  )                        \par
        (resi   47 and name O3*  )                        \par
        (resi   48 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   47 and name C3*  )                        \par
        (resi   47 and name O3*  )                        \par
        (resi   48 and name P    )                        \par
        (resi   48 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   47 and name O3*  )                        \par
        (resi   48 and name P    )                        \par
        (resi   48 and name O5*  )                        \par
        (resi   48 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   48 and name P    )                        \par
        (resi   48 and name O5*  )                        \par
        (resi   48 and name C5*  )                        \par
        (resi   48 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   53 and name O5*  )                        \par
        (resi   53 and name C5*  )                        \par
        (resi   53 and name C4*  )                        \par
        (resi   53 and name C3*  )   1.0   47.44    25.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   53 and name C5*  )                        \par
        (resi   53 and name C4*  )                        \par
        (resi   53 and name C3*  )                        \par
        (resi   53 and name O3*  )   1.0   83.45    25.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   53 and name C4*  )                        \par
        (resi   53 and name C3*  )                        \par
        (resi   53 and name O3*  )                        \par
        (resi   54 and name P    )   1.0   -151.7   25.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   53 and name C3*  )                        \par
        (resi   53 and name O3*  )                        \par
        (resi   54 and name P    )                        \par
        (resi   54 and name O5*  )   1.0   -73.6    25.0  2 \{*zeta*\}\par
      \tab\tab\par
 assign (resi   53 and name O3*  )                        \par
        (resi   54 and name P    )                        \par
        (resi   54 and name O5*  )                        \par
        (resi   54 and name C5*  )   1.0   -62.1    25.0  2 \{*alpha*\}\par
\tab       \tab                           \tab       \tab\tab                   assign (resi   54 and name P    )                        \par
        (resi   54 and name O5*  )                        \par
        (resi   54 and name C5*  )                        \par
        (resi   54 and name C4*  )   1.0   -179.9   25.0  2 \{*beta*\}\par
 \par
 assign (resi   54 and name O5*  )                        \par
        (resi   54 and name C5*  )                        \par
        (resi   54 and name C4*  )                        \par
        (resi   54 and name C3*  )   1.0   47.44    25.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   54 and name C5*  )                        \par
        (resi   54 and name C4*  )                        \par
        (resi   54 and name C3*  )                        \par
        (resi   54 and name O3*  )   1.0   83.45    25.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   54 and name C4*  )                        \par
        (resi   54 and name C3*  )                        \par
        (resi   54 and name O3*  )                        \par
        (resi   55 and name P    )   1.0   -151.7   25.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   54 and name C3*  )                        \par
        (resi   54 and name O3*  )                        \par
        (resi   55 and name P    )                        \par
        (resi   55 and name O5*  )   1.0   -73.6    25.0  2 \{*zeta*\}\par
\par
 assign (resi   54 and name O3*  )                        \par
        (resi   55 and name P    )                        \par
        (resi   55 and name O5*  )                        \par
        (resi   55 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   55 and name P    )                        \par
        (resi   55 and name O5*  )                        \par
        (resi   55 and name C5*  )                        \par
        (resi   55 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   55 and name O5*  )                        \par
        (resi   55 and name C5*  )                        \par
        (resi   55 and name C4*  )                        \par
        (resi   55 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   55 and name C5*  )                        \par
        (resi   55 and name C4*  )                        \par
        (resi   55 and name C3*  )                        \par
        (resi   55 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   55 and name C4*  )                        \par
        (resi   55 and name C3*  )                        \par
        (resi   55 and name O3*  )                        \par
        (resi   56 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   55 and name C3*  )                        \par
        (resi   55 and name O3*  )                        \par
        (resi   56 and name P    )                        \par
        (resi   56 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   55 and name O3*  )                        \par
        (resi   56 and name P    )                        \par
        (resi   56 and name O5*  )                        \par
        (resi   56 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   56 and name P    )                        \par
        (resi   56 and name O5*  )                        \par
        (resi   56 and name C5*  )                        \par
        (resi   56 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   56 and name O5*  )                        \par
        (resi   56 and name C5*  )                        \par
        (resi   56 and name C4*  )                        \par
        (resi   56 and name C3*  )   1.0   47.44   20.0  2 \{*gamma*\}\par
\tab       \tab                            \par
 assign (resi   56 and name C5*  )                        \par
        (resi   56 and name C4*  )                        \par
        (resi   56 and name C3*  )                        \par
        (resi   56 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   56 and name C4*  )                        \par
        (resi   56 and name C3*  )                        \par
        (resi   56 and name O3*  )                        \par
        (resi   57 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   56 and name C3*  )                        \par
        (resi   56 and name O3*  )                        \par
        (resi   57 and name P    )                        \par
        (resi   57 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   56 and name O3*  )                        \par
        (resi   57 and name P    )                        \par
        (resi   57 and name O5*  )                        \par
        (resi   57 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   57 and name P    )                        \par
        (resi   57 and name O5*  )                        \par
        (resi   57 and name C5*  )                        \par
        (resi   57 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   57 and name O5*  )                        \par
        (resi   57 and name C5*  )                        \par
        (resi   57 and name C4*  )                        \par
        (resi   57 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab                            \par
 assign (resi   57 and name C5*  )                        \par
        (resi   57 and name C4*  )                        \par
        (resi   57 and name C3*  )                        \par
        (resi   57 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   57 and name C4*  )                        \par
        (resi   57 and name C3*  )                        \par
        (resi   57 and name O3*  )                        \par
        (resi   58 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}        \par
\par
 assign  ( resi 57 and name C3*  )                        \par
         ( resi 57 and name O3*  )                        \par
         ( resi 58 and name P    )                        \par
         ( resi 58 and name O5*  )   3.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign  ( resi 57 and name O3*  )                        \par
         ( resi 58 and name P    )                        \par
         ( resi 58 and name O5*  )                        \par
         ( resi 58 and name C5*  )   3.0   -62.1    20.0  2 \{*alpha*\}    \par
\par
 assign (resi   58 and name P    )                        \par
        (resi   58 and name O5*  )                        \par
        (resi   58 and name C5*  )                        \par
        (resi   58 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   58 and name O5*  )                        \par
        (resi   58 and name C5*  )                        \par
        (resi   58 and name C4*  )                        \par
        (resi   58 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   58 and name C5*  )                        \par
        (resi   58 and name C4*  )                        \par
        (resi   58 and name C3*  )                        \par
        (resi   58 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   58 and name C4*  )                        \par
        (resi   58 and name C3*  )                        \par
        (resi   58 and name O3*  )                        \par
        (resi   59 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   58 and name C3*  )                        \par
        (resi   58 and name O3*  )                        \par
        (resi   59 and name P    )                        \par
        (resi   59 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   58 and name O3*  )                        \par
        (resi   59 and name P    )                        \par
        (resi   59 and name O5*  )                        \par
        (resi   59 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   59 and name P    )                        \par
        (resi   59 and name O5*  )                        \par
        (resi   59 and name C5*  )                        \par
        (resi   59 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   59 and name O5*  )                        \par
        (resi   59 and name C5*  )                        \par
        (resi   59 and name C4*  )                        \par
        (resi   59 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   59 and name C5*  )                        \par
        (resi   59 and name C4*  )                        \par
        (resi   59 and name C3*  )                        \par
        (resi   59 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                           \par
 assign (resi   59 and name C4*  )                        \par
        (resi   59 and name C3*  )                        \par
        (resi   59 and name O3*  )                        \par
        (resi   60 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   59 and name C3*  )                        \par
        (resi   59 and name O3*  )                        \par
        (resi   60 and name P    )                        \par
        (resi   60 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab\par
 assign (resi   59 and name O3*  )                        \par
        (resi   60 and name P    )                        \par
        (resi   60 and name O5*  )                        \par
        (resi   60 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   60 and name P    )                        \par
        (resi   60 and name O5*  )                        \par
        (resi   60 and name C5*  )                        \par
        (resi   60 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   60 and name O5*  )                        \par
        (resi   60 and name C5*  )                        \par
        (resi   60 and name C4*  )                        \par
        (resi   60 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   60 and name C5*  )                        \par
        (resi   60 and name C4*  )                        \par
        (resi   60 and name C3*  )                        \par
        (resi   60 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   60 and name C4*  )                        \par
        (resi   60 and name C3*  )                        \par
        (resi   60 and name O3*  )                        \par
        (resi   61 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   60 and name C3*  )                        \par
        (resi   60 and name O3*  )                        \par
        (resi   61 and name P    )                        \par
        (resi   61 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   60 and name O3*  )                        \par
        (resi   61 and name P    )                        \par
        (resi   61 and name O5*  )                        \par
        (resi   61 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   61 and name P    )                        \par
        (resi   61 and name O5*  )                        \par
        (resi   61 and name C5*  )                        \par
        (resi   61 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   61 and name O5*  )                        \par
        (resi   61 and name C5*  )                        \par
        (resi   61 and name C4*  )                        \par
        (resi   61 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   61 and name C5*  )                        \par
        (resi   61 and name C4*  )                        \par
        (resi   61 and name C3*  )                        \par
        (resi   61 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   61 and name C4*  )                        \par
        (resi   61 and name C3*  )                        \par
        (resi   61 and name O3*  )                        \par
        (resi   62 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab                            \par
 assign (resi   61 and name C3*  )                        \par
        (resi   61 and name O3*  )                        \par
        (resi   62 and name P    )                        \par
        (resi   62 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   61 and name O3*  )                        \par
        (resi   62 and name P    )                        \par
        (resi   62 and name O5*  )                        \par
        (resi   62 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                          \par
 assign (resi   62 and name P    )                        \par
        (resi   62 and name O5*  )                        \par
        (resi   62 and name C5*  )                        \par
        (resi   62 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   62 and name O5*  )                        \par
        (resi   62 and name C5*  )                        \par
        (resi   62 and name C4*  )                        \par
        (resi   62 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   62 and name C5*  )                        \par
        (resi   62 and name C4*  )                        \par
        (resi   62 and name C3*  )                        \par
        (resi   62 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}     \tab\tab                                 \tab\tab\par
 assign (resi   67 and name O5*  )                        \par
        (resi   67 and name C5*  )                        \par
        (resi   67 and name C4*  )                        \par
        (resi   67 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   67 and name C5*  )                        \par
        (resi   67 and name C4*  )                        \par
        (resi   67 and name C3*  )                        \par
        (resi   67 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   67 and name C4*  )                        \par
        (resi   67 and name C3*  )                        \par
        (resi   67 and name O3*  )                        \par
        (resi   68 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   67 and name C3*  )                        \par
        (resi   67 and name O3*  )                        \par
        (resi   68 and name P    )                        \par
        (resi   68 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   67 and name O3*  )                        \par
        (resi   68 and name P    )                        \par
        (resi   68 and name O5*  )                        \par
        (resi   68 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   68 and name P    )                        \par
        (resi   68 and name O5*  )                        \par
        (resi   68 and name C5*  )                        \par
        (resi   68 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   68 and name O5*  )                        \par
        (resi   68 and name C5*  )                        \par
        (resi   68 and name C4*  )                        \par
        (resi   68 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   68 and name C5*  )                        \par
        (resi   68 and name C4*  )                        \par
        (resi   68 and name C3*  )                        \par
        (resi   68 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   68 and name C4*  )                        \par
        (resi   68 and name C3*  )                        \par
        (resi   68 and name O3*  )                        \par
        (resi   69 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   68 and name C3*  )                        \par
        (resi   68 and name O3*  )                        \par
        (resi   69 and name P    )                        \par
        (resi   69 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   68 and name O3*  )                        \par
        (resi   69 and name P    )                        \par
        (resi   69 and name O5*  )                        \par
        (resi   69 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   69 and name P    )                        \par
        (resi   69 and name O5*  )                        \par
        (resi   69 and name C5*  )                        \par
        (resi   69 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   69 and name O5*  )                        \par
        (resi   69 and name C5*  )                        \par
        (resi   69 and name C4*  )                        \par
        (resi   69 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   69 and name C5*  )                        \par
        (resi   69 and name C4*  )                        \par
        (resi   69 and name C3*  )                        \par
        (resi   69 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab  \par
 assign (resi   69 and name C4*  )                        \par
        (resi   69 and name C3*  )                        \par
        (resi   69 and name O3*  )                        \par
        (resi   70  and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   69 and name C3*  )                        \par
        (resi   69 and name O3*  )                        \par
        (resi   70 and name P    )                        \par
        (resi   70 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                        \tab       \tab\tab                           \par
 assign (resi   69 and name O3*  )                        \par
        (resi   70 and name P    )                        \par
        (resi   70 and name O5*  )                        \par
        (resi   70 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   70 and name P    )                        \par
        (resi   70 and name O5*  )                        \par
        (resi   70 and name C5*  )                        \par
        (resi   70 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab                                  \par
 assign (resi   70 and name O5*  )                        \par
        (resi   70 and name C5*  )                        \par
        (resi   70 and name C4*  )                        \par
        (resi   70 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   70 and name C5*  )                        \par
        (resi   70 and name C4*  )                        \par
        (resi   70 and name C3*  )                        \par
        (resi   70 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab                            \par
 assign (resi   70 and name C4*  )                        \par
        (resi   70 and name C3*  )                        \par
        (resi   70 and name O3*  )                        \par
        (resi   71 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   70 and name C3*  )                        \par
        (resi   70 and name O3*  )                        \par
        (resi   71 and name P    )                        \par
        (resi   71 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   70 and name O3*  )                        \par
        (resi   71 and name P    )                        \par
        (resi   71 and name O5*  )                        \par
        (resi   71 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                         \par
 assign (resi   71 and name P    )                        \par
        (resi   71 and name O5*  )                        \par
        (resi   71 and name C5*  )                        \par
        (resi   71 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   71 and name O5*  )                        \par
        (resi   71 and name C5*  )                        \par
        (resi   71 and name C4*  )                        \par
        (resi   71 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   71 and name C5*  )                        \par
        (resi   71 and name C4*  )                        \par
        (resi   71 and name C3*  )                        \par
        (resi   71 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}      \tab\tab  \par
\par
 assign (resi   71 and name C4*  )                        \par
        (resi   71 and name C3*  )                        \par
        (resi   71 and name O3*  )                        \par
        (resi   72 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   71 and name C3*  )                        \par
        (resi   71 and name O3*  )                        \par
        (resi   72 and name P    )                        \par
        (resi   72 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   71 and name O3*  )                        \par
        (resi   72 and name P    )                        \par
        (resi   72 and name O5*  )                        \par
        (resi   72 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   72 and name P    )                        \par
        (resi   72 and name O5*  )                        \par
        (resi   72 and name C5*  )                        \par
        (resi   72 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab                                  \par
 assign (resi   72 and name O5*  )                        \par
        (resi   72 and name C5*  )                        \par
        (resi   72 and name C4*  )                        \par
        (resi   72 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   72 and name C5*  )                        \par
        (resi   72 and name C4*  )                        \par
        (resi   72 and name C3*  )                        \par
        (resi   72 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   72 and name C4*  )                        \par
        (resi   72 and name C3*  )                        \par
        (resi   72 and name O3*  )                        \par
        (resi   73 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   72 and name C3*  )                        \par
        (resi   72 and name O3*  )                        \par
        (resi   73 and name P    )                        \par
        (resi   73 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   72 and name O3*  )                        \par
        (resi   73 and name P    )                        \par
        (resi   73 and name O5*  )                        \par
        (resi   73 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                           \par
 assign (resi   73 and name P    )                        \par
        (resi   73 and name O5*  )                        \par
        (resi   73 and name C5*  )                        \par
        (resi   73 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab                            \par
 assign (resi   73 and name O5*  )                        \par
        (resi   73 and name C5*  )                        \par
        (resi   73 and name C4*  )                        \par
        (resi   73 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   73 and name C5*  )                        \par
        (resi   73 and name C4*  )                        \par
        (resi   73 and name C3*  )                        \par
        (resi   73 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}   \par
\par
 assign (resi   73 and name C4*  )                        \par
        (resi   73 and name C3*  )                        \par
        (resi   73 and name O3*  )                        \par
        (resi   74 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   73 and name C3*  )                        \par
        (resi   73 and name O3*  )                        \par
        (resi   74 and name P    )                        \par
        (resi   74 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                         \tab       \tab\tab                           \par
 assign (resi   73 and name O3*  )                        \par
        (resi   74 and name P    )                        \par
        (resi   74 and name O5*  )                        \par
        (resi   74 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                          \par
 assign (resi   74 and name P    )                        \par
        (resi   74 and name O5*  )                        \par
        (resi   74 and name C5*  )                        \par
        (resi   74 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   74 and name O5*  )                        \par
        (resi   74 and name C5*  )                        \par
        (resi   74 and name C4*  )                        \par
        (resi   74 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab                                  \par
 assign (resi   74 and name C5*  )                        \par
        (resi   74 and name C4*  )                        \par
        (resi   74 and name C3*  )                        \par
        (resi   74 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   74 and name C4*  )                        \par
        (resi   74 and name C3*  )                        \par
        (resi   74 and name O3*  )                        \par
        (resi   75 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   74 and name C3*  )                        \par
        (resi   74 and name O3*  )                        \par
        (resi   75 and name P    )                        \par
        (resi   75 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   74 and name O3*  )                        \par
        (resi   75 and name P    )                        \par
        (resi   75 and name O5*  )                        \par
        (resi   75 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                          \par
 \tab       \tab\tab                            \par
 assign (resi   75 and name O5*  )                        \par
        (resi   75 and name C5*  )                        \par
        (resi   75 and name C4*  )                        \par
        (resi   75 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   75 and name C5*  )                        \par
        (resi   75 and name C4*  )                        \par
        (resi   75 and name C3*  )                        \par
        (resi   75 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}                      \par
 \par
 assign (resi   75 and name C4*  )                        \par
        (resi   75 and name C3*  )                        \par
        (resi   75 and name O3*  )                        \par
        (resi   76 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   75 and name C3*  )                        \par
        (resi   75 and name O3*  )                        \par
        (resi   75 and name P    )                        \par
        (resi   75 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
                          \tab       \tab\tab                           \par
 assign (resi   75 and name O3*  )                        \par
        (resi   76 and name P    )                        \par
        (resi   76 and name O5*  )                        \par
        (resi   76 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   76 and name P    )                        \par
        (resi   76 and name O5*  )                        \par
        (resi   76 and name C5*  )                        \par
        (resi   76 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   76 and name O5*  )                        \par
        (resi   76 and name C5*  )                        \par
        (resi   76 and name C4*  )                        \par
        (resi   76 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   76 and name C5*  )                        \par
        (resi   76 and name C4*  )                        \par
        (resi   76 and name C3*  )                        \par
        (resi   76 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   76 and name C4*  )                        \par
        (resi   76 and name C3*  )                        \par
        (resi   76 and name O3*  )                        \par
        (resi   77 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   76 and name C3*  )                        \par
        (resi   76 and name O3*  )                        \par
        (resi   77 and name P    )                        \par
        (resi   77 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\par
 assign (resi   83 and name O5*  )                        \par
        (resi   83 and name C5*  )                        \par
        (resi   83 and name C4*  )                        \par
        (resi   83 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   83 and name C5*  )                        \par
        (resi   83 and name C4*  )                        \par
        (resi   83 and name C3*  )                        \par
        (resi   83 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   83 and name C4*  )                        \par
        (resi   83 and name C3*  )                        \par
        (resi   83 and name O3*  )                        \par
        (resi   84 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   83 and name C3*  )                        \par
        (resi   83 and name O3*  )                        \par
        (resi   84 and name P    )                        \par
        (resi   84 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                            \par
 assign (resi   83 and name O3*  )                        \par
        (resi   84 and name P    )                        \par
        (resi   84 and name O5*  )                        \par
        (resi   84 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                          \par
 assign (resi   84 and name P    )                        \par
        (resi   84 and name O5*  )                        \par
        (resi   84 and name C5*  )                        \par
        (resi   84 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   84 and name O5*  )                        \par
        (resi   84 and name C5*  )                        \par
        (resi   84 and name C4*  )                        \par
        (resi   84 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   84 and name C5*  )                        \par
        (resi   84 and name C4*  )                        \par
        (resi   84 and name C3*  )                        \par
        (resi   84 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   84 and name C4*  )                        \par
        (resi   84 and name C3*  )                        \par
        (resi   84 and name O3*  )                        \par
        (resi   85 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   84 and name C3*  )                        \par
        (resi   84 and name O3*  )                        \par
        (resi   85 and name P    )                        \par
        (resi   85 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                                  \tab\tab                            \par
 assign (resi   84 and name O3*  )                        \par
        (resi   85 and name P    )                        \par
        (resi   85 and name O5*  )                        \par
        (resi   85 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   85 and name P    )                        \par
        (resi   85 and name O5*  )                        \par
        (resi   85 and name C5*  )                        \par
        (resi   85 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   85 and name O5*  )                        \par
        (resi   85 and name C5*  )                        \par
        (resi   85 and name C4*  )                        \par
        (resi   85 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   85 and name C5*  )                        \par
        (resi   85 and name C4*  )                        \par
        (resi   85 and name C3*  )                        \par
        (resi   85 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\par
\tab       \tab\tab                            \par
 assign (resi   85 and name C4*  )                        \par
        (resi   85 and name C3*  )                        \par
        (resi   85 and name O3*  )                        \par
        (resi   86 and name P    )   1.0   -151.7   20.0  2 \{*epsilon*\}\par
\tab       \tab\tab                            \par
 assign (resi   85 and name C3*  )                        \par
        (resi   85 and name O3*  )                        \par
        (resi   86 and name P    )                        \par
        (resi   86 and name O5*  )   1.0   -73.6    20.0  2 \{*zeta*\}\par
\tab       \tab\tab                                 \tab\tab                            \par
 assign (resi   85 and name O3*  )                        \par
        (resi   86 and name P    )                        \par
        (resi   86 and name O5*  )                        \par
        (resi   86 and name C5*  )   1.0   -62.1    20.0  2 \{*alpha*\}\par
\tab       \tab                            \par
 assign (resi   86 and name P    )                        \par
        (resi   86 and name O5*  )                        \par
        (resi   86 and name C5*  )                        \par
        (resi   86 and name C4*  )   1.0   -179.9   20.0  2 \{*beta*\}\par
\tab       \tab\tab                            \par
 assign (resi   86 and name O5*  )                        \par
        (resi   86 and name C5*  )                        \par
        (resi   86 and name C4*  )                        \par
        (resi   86 and name C3*  )   1.0   47.44    20.0  2 \{*gamma*\}\par
\tab       \tab\tab                            \par
 assign (resi   86 and name C5*  )                        \par
        (resi   86 and name C4*  )                        \par
        (resi   86 and name C3*  )                        \par
        (resi   86 and name O3*  )   1.0   83.45    20.0  2 \{*delta*\}\tab\tab\tab\tab                                  \par
\{*dihedral restraints for chi angle to specify syn or anti*\}\par
\par
 assign (resi   1 and name O4*  )                        \par
        (resi   1 and name C1*  )                        \par
        (resi   1 and name N9   )                        \par
        (resi   1 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   2 and name O4*  )                        \par
        (resi   2 and name C1*  )                        \par
        (resi   2 and name N9   )                          \par
        (resi   2 and name C4   )   1.0   -160.0  20.0  2 \par
\par
 assign (resi   3 and name O4*  )                        \par
        (resi   3 and name C1*  )                        \par
        (resi   3 and name N9   )                        \par
        (resi   3 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   4 and name O4*  )                        \par
        (resi   4 and name C1*  )                        \par
        (resi   4 and name N9   )                        \par
        (resi   4 and name C4   )   1.0   -160.0  20.0  2\par
\par
 assign (resi   5 and name O4*  )                        \par
        (resi   5 and name C1*  )                        \par
        (resi   5 and name N1   )                        \par
        (resi   5 and name C2   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \tab\tab                       \tab                            \par
 assign (resi   8 and name O4*  )                        \par
        (resi   8 and name C1*  )                        \par
        (resi   8 and name N9   )                        \par
        (resi   8 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   9 and name O4*  )                        \par
        (resi   9 and name C1*  )                        \par
        (resi   9 and name N9   )                        \par
        (resi   9 and name C4   )   1.0   -160.0  20.0  2\tab       \tab\tab                            \par
 \par
 assign (resi  10 and name O4*  )                        \par
        (resi  10 and name C1*  )                        \par
        (resi  10 and name N9   )                        \par
        (resi  10 and name C4   )   1.0   -160.0  20.0  2\par
\par
\par
 assign (resi  11 and name O4*  )                        \par
        (resi  11 and name C1*  )                        \par
        (resi  11 and name N9   )                        \par
        (resi  11 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  12 and name O4*  )                        \par
        (resi  12 and name C1*  )                        \par
        (resi  12 and name N9   )                        \par
        (resi  12 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                           \tab       \tab\tab                            \tab       \tab\tab                            \par
 assign (resi  13 and name O4*  )                        \par
        (resi  13 and name C1*  )                        \par
        (resi  13 and name N9   )                        \par
        (resi  13 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  14 and name O4*  )                        \par
        (resi  14 and name C1*  )                        \par
        (resi  14 and name N9   )                        \par
        (resi  14 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  15 and name O4*  )                        \par
        (resi  15 and name C1*  )                        \par
        (resi  15 and name N1   )                        \par
        (resi  15 and name C2   )   1.0   -160.0   20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  16 and name O4*  )                        \par
        (resi  16 and name C1*  )                        \par
        (resi  16 and name N1   )                        \par
        (resi  16 and name C2   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  17 and name O4*  )                        \par
        (resi  17 and name C1*  )                        \par
        (resi  17 and name N9   )                        \par
        (resi  17 and name C4   )   1.0   -160.0  20.0  2\par
\par
 assign (resi  18 and name O4*  )                        \par
        (resi  18 and name C1*  )                        \par
        (resi  18 and name N9   )                        \par
        (resi  18 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                           \tab       \tab\tab                            \tab                            \par
 assign (resi  19 and name O4*  )                        \par
        (resi  19 and name C1*  )                        \par
        (resi  19 and name N9   )                        \par
        (resi  19 and name C4   )   1.0   -160.0  20.0  2 \par
 \par
 assign (resi  20 and name O4*  )                        \par
        (resi  20 and name C1*  )                        \par
        (resi  20 and name N9   )                        \par
        (resi  20 and name C4   )   1.0   -160.0  25.0  2 \par
 \par
 assign (resi  21 and name O4*  )                        \par
        (resi  21 and name C1*  )                        \par
        (resi  21 and name N9   )                        \par
        (resi  21 and name C4   )   1.0   -160.0  25.0  2 \par
\par
 assign (resi  22 and name O4*  )                        \par
        (resi  22 and name C1*  )                        \par
        (resi  22 and name N9   )                        \par
        (resi  22 and name C4   )   1.0   -160.0  25.0  2 \par
\par
 assign (resi   23 and name O4*  )                        \par
        (resi   23 and name C1*  )                        \par
        (resi   23 and name N9   )                        \par
        (resi   23 and name C4   )   1.0   -160.0  25.0  2\par
\tab       \tab\tab                            \par
 assign (resi   24 and name O4*  )                        \par
        (resi   24 and name C1*  )                        \par
        (resi   24 and name N1   )                        \par
        (resi   24 and name C2   )   1.0   -160.0  20.0  2\par
\par
 assign (resi   25 and name O4*  )                        \par
        (resi   25 and name C1*  )                        \par
        (resi   25 and name N1   )                        \par
        (resi   25 and name C2   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \tab\tab                       \par
 assign (resi   26 and name O4*  )                        \par
        (resi   26 and name C1*  )                        \par
        (resi   26 and name N1   )                        \par
        (resi   26 and name C2   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   27 and name O4*  )                        \par
        (resi   27 and name C1*  )                        \par
        (resi   27 and name N9   )                        \par
        (resi   27 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   28 and name O4*  )                        \par
        (resi   28 and name C1*  )                        \par
        (resi   28 and name N9   )                        \par
        (resi   28 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                            \par
 assign (resi   29 and name O4*  )                        \par
        (resi   29 and name C1*  )                        \par
        (resi   29 and name N1   )                        \par
        (resi   29 and name C2   )   1.0   -160.0  10.0  2\tab       \tab\tab         \par
 \par
 assign (resi   30 and name O4*  )                        \par
        (resi   30 and name C1*  )                        \par
        (resi   30 and name N1   )                        \par
        (resi   30 and name C2   )   1.0   -160.0  15.0  2\par
 \par
 assign (resi   31 and name O4*  )                        \par
        (resi   31 and name C1*  )                        \par
        (resi   31 and name N1   )                        \par
        (resi   31 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   32 and name O4*  )                        \par
        (resi   32 and name C1*  )                        \par
        (resi   32 and name N1   )                          \par
        (resi   32 and name C2   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi   33 and name O4*  )                        \par
        (resi   33 and name C1*  )                        \par
        (resi   33 and name N1   )                        \par
        (resi   33 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   34 and name O4*  )                        \par
        (resi   34 and name C1*  )                        \par
        (resi   34 and name N1   )                        \par
        (resi   34 and name C2   )   1.0   -160.0  15.0  2\par
\par
 assign (resi   35 and name O4*  )                        \par
        (resi   35 and name C1*  )                        \par
        (resi   35 and name N1   )                        \par
        (resi   35 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \tab\tab                       \par
 assign (resi   36 and name O4*  )                        \par
        (resi   36 and name C1*  )                        \par
        (resi   36 and name N1   )                        \par
        (resi   36 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \tab       \tab\tab                            \par
 assign (resi   38 and name O4*  )                        \par
        (resi   38 and name C1*  )                        \par
        (resi   38 and name N9   )                        \par
        (resi   38 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   39 and name O4*  )                        \par
        (resi   39 and name C1*  )                        \par
        (resi   39 and name N9   )                        \par
        (resi   39 and name C4   )   1.0   -160.0  10.0  2\tab       \tab\tab          \par
 assign (resi   40 and name O4*  )                        \par
        (resi   40 and name C1*  )                        \par
        (resi   40 and name N1   )                        \par
        (resi   40 and name C2   )   1.0   -160.0  15.0  2\par
 \par
 assign (resi   41 and name O4*  )                        \par
        (resi   41 and name C1*  )                        \par
        (resi   41 and name N1   )                        \par
        (resi   41 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   42 and name O4*  )                        \par
        (resi   42 and name C1*  )                        \par
        (resi   42 and name N1   )                          \par
        (resi   42 and name C2   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi   43 and name O4*  )                        \par
        (resi   43 and name C1*  )                        \par
        (resi   43 and name N1   )                        \par
        (resi   43 and name C2   )   1.0   -160.0  15.0  2                                  \par
\par
assign  (resi  44 and name O4*  )                        \par
        (resi  44 and name C1*  )                        \par
        (resi  44 and name N9   )                        \par
        (resi  44 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi  45 and name O4*  )                        \par
        (resi  45 and name C1*  )                        \par
\par
        \par
        (resi  45 and name N9   )                          \par
        (resi  45 and name C4   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi  46 and name O4*  )                        \par
        (resi  46 and name C1*  )                        \par
        (resi  46 and name N9   )                        \par
        (resi  46 and name C4   )   1.0   -160.0  15.0  2\par
\tab                                  \par
 assign (resi  47 and name O4*  )                        \par
        (resi  47 and name C1*  )                        \par
        (resi  47 and name N9   )                        \par
        (resi  47 and name C4   )   1.0   -160.0  15.0  2\par
\par
 assign (resi  48 and name O4*  )                        \par
        (resi  48 and name C1*  )                        \par
        (resi  48 and name N1   )                        \par
        (resi  48 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \tab\tab                       \tab\tab                    \par
 assign (resi  51 and name O4*  )                        \par
        (resi  51 and name C1*  )                        \par
        (resi  51 and name N9   )                        \par
        (resi  51 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab                            \par
 assign (resi  52 and name O4*  )                        \par
        (resi  52 and name C1*  )                        \par
        (resi  52 and name N9   )                        \par
        (resi  52 and name C4   )   1.0   -160.0  15.0  2\tab       \tab\tab                            \par
\par
 assign (resi  53 and name O4*  )                        \par
        (resi  53 and name C1*  )                        \par
        (resi  53 and name N9   )                        \par
        (resi  53 and name C4   )   1.0   -160.0  20.0  2\par
\par
\par
 assign (resi  54 and name O4*  )                        \par
        (resi  54 and name C1*  )                        \par
        (resi  54 and name N9   )                        \par
        (resi  54 and name C4   )   1.0   -160.0  30.0  2\par
\tab       \tab\tab                            \par
 assign (resi  55 and name O4*  )                        \par
        (resi  55 and name C1*  )                        \par
        (resi  55 and name N9   )                        \par
        (resi  55 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab\tab                           \tab       \tab\tab                            \tab       \tab\tab                            \par
 assign (resi  56 and name O4*  )                        \par
        (resi  56 and name C1*  )                        \par
        (resi  56 and name N9   )                        \par
        (resi  56 and name C4   )   1.0   -160.0  20.0  2\par
\tab       \tab                            \par
 assign (resi  57 and name O4*  )                        \par
        (resi  57 and name C1*  )                        \par
        (resi  57 and name N9   )                        \par
        (resi  57 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi  58 and name O4*  )                        \par
        (resi  58 and name C1*  )                        \par
        (resi  58 and name N1   )                        \par
        (resi  58 and name C2   )   1.0   -160.0   15.0  2\par
\tab                                  \par
 assign (resi  59 and name O4*  )                        \par
        (resi  59 and name C1*  )                        \par
        (resi  59 and name N1   )                        \par
        (resi  59 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab                            \par
 assign (resi  60 and name O4*  )                        \par
        (resi  60 and name C1*  )                        \par
        (resi  60 and name N9   )                        \par
        (resi  60 and name C4   )   1.0   -160.0  15.0  2\par
\par
 assign (resi  61 and name O4*  )                        \par
        (resi  61 and name C1*  )                        \par
        (resi  61 and name N9   )                        \par
        (resi  61 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                           \tab       \tab\tab                            \tab                            \par
 assign (resi  62 and name O4*  )                        \par
        (resi  62 and name C1*  )                        \par
        (resi  62 and name N9   )                        \par
        (resi  62 and name C4   )   1.0   -160.0  15.0  2 \par
 \par
 assign (resi  63 and name O4*  )                        \par
        (resi  63 and name C1*  )                        \par
        (resi  63 and name N9   )                        \par
        (resi  63 and name C4   )   1.0   -160.0  15.0  2 \par
 \par
 assign (resi  64 and name O4*  )                        \par
        (resi  64 and name C1*  )                        \par
        (resi  64 and name N9   )                        \par
        (resi  64 and name C4   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi  65 and name O4*  )                        \par
        (resi  65 and name C1*  )                        \par
        (resi  65 and name N9   )                        \par
        (resi  65 and name C4   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi   66 and name O4*  )                        \par
        (resi   66 and name C1*  )                        \par
        (resi   66 and name N9   )                        \par
        (resi   66 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   67 and name O4*  )                        \par
        (resi   67 and name C1*  )                        \par
        (resi   67 and name N1   )                        \par
        (resi   67 and name C2   )   1.0   -160.0  15.0  2\par
\par
 assign (resi   68 and name O4*  )                        \par
        (resi   68 and name C1*  )                        \par
        (resi   68 and name N1   )                        \par
        (resi   68 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \tab\tab                       \par
 assign (resi   69 and name O4*  )                        \par
        (resi   69 and name C1*  )                        \par
        (resi   69 and name N1   )                        \par
        (resi   69 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   70 and name O4*  )                        \par
        (resi   70 and name C1*  )                        \par
        (resi   70 and name N9   )                        \par
        (resi   70 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   71 and name O4*  )                        \par
        (resi   71 and name C1*  )                        \par
        (resi   71 and name N9   )                        \par
        (resi   71 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   72 and name O4*  )                        \par
        (resi   72 and name C1*  )                        \par
        (resi   72 and name N1   )                        \par
        (resi   72 and name C2   )   1.0   -160.0  10.0  2\tab       \tab\tab         \par
\par
 assign (resi   73 and name O4*  )                        \par
        (resi   73 and name C1*  )                        \par
        (resi   73 and name N1   )                        \par
        (resi   73 and name C2   )   1.0   -160.0  15.0  2\par
 \par
 assign (resi   74 and name O4*  )                        \par
        (resi   74 and name C1*  )                        \par
        (resi   74 and name N1   )                        \par
        (resi   74 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   75 and name O4*  )                        \par
        (resi   75 and name C1*  )                        \par
        (resi   75 and name N1   )                          \par
        (resi   75 and name C2   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi   76 and name O4*  )                        \par
        (resi   76 and name C1*  )                        \par
        (resi   76 and name N1   )                        \par
        (resi   76 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   77 and name O4*  )                        \par
        (resi   77 and name C1*  )                        \par
        (resi   77 and name N1   )                        \par
        (resi   77 and name C2   )   1.0   -160.0  15.0  2\par
\par
 assign (resi   78 and name O4*  )                        \par
        (resi   78 and name C1*  )                        \par
        (resi   78 and name N1   )                        \par
        (resi   78 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \tab\tab                       \par
 assign (resi   79 and name O4*  )                        \par
        (resi   79 and name C1*  )                        \par
        (resi   79 and name N1   )                        \par
        (resi   79 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                                  \tab\tab                            \par
 assign (resi   81 and name O4*  )                        \par
        (resi   81 and name C1*  )                        \par
        (resi   81 and name N9   )                        \par
        (resi   81 and name C4   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   82 and name O4*  )                        \par
        (resi   82 and name C1*  )                        \par
        (resi   82 and name N9   )                        \par
        (resi   82 and name C4   )   1.0   -160.0  10.0  2\tab       \tab\tab         \par
\par
 assign (resi   83 and name O4*  )                        \par
        (resi   83 and name C1*  )                        \par
        (resi   83 and name N1   )                        \par
        (resi   83 and name C2   )   1.0   -160.0  15.0  2\par
 \par
 assign (resi   84 and name O4*  )                        \par
        (resi   84 and name C1*  )                        \par
        (resi   84 and name N1   )                        \par
        (resi   84 and name C2   )   1.0   -160.0  15.0  2\par
\tab       \tab\tab                            \par
 assign (resi   85 and name O4*  )                        \par
        (resi   85 and name C1*  )                        \par
        (resi   85 and name N1   )                          \par
        (resi   85 and name C2   )   1.0   -160.0  15.0  2 \par
\par
 assign (resi   86 and name O4*  )                        \par
        (resi   86 and name C1*  )                        \par
        (resi   86 and name N1   )                        \par
        (resi   86 and name C2   )   1.0   -160.0  15.0  2   \par
\par
\{*dihedral angles v1 and v2 indicating North or South sugar*\}\par
\{*conformation - taken from 1*-2* couplings in VSI RNA*\}\par
\par
  assign (resi   1 and name O4*  )                        \par
         (resi   1 and name C1*  )                        \par
         (resi   1 and name C2*  )                        \par
         (resi   1 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   1 and name C1*  )                        \par
         (resi   1 and name C2*  )                        \par
         (resi   1 and name C3*  )                        \par
         (resi   1 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   2 and name O4*  )                        \par
         (resi   2 and name C1*  )                        \par
         (resi   2 and name C2*  )                        \par
         (resi   2 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   2 and name C1*  )                        \par
         (resi   2 and name C2*  )                        \par
         (resi   2 and name C3*  )                        \par
         (resi   2 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   3 and name O4*  )                        \par
         (resi   3 and name C1*  )                        \par
         (resi   3 and name C2*  )                        \par
         (resi   3 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   3 and name C1*  )                        \par
         (resi   3 and name C2*  )                        \par
         (resi   3 and name C3*  )                        \par
         (resi   3 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   4 and name O4*  )                        \par
         (resi   4 and name C1*  )                        \par
         (resi   4 and name C2*  )                        \par
         (resi   4 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   4 and name C1*  )                        \par
         (resi   4 and name C2*  )                        \par
         (resi   4 and name C3*  )                        \par
         (resi   4 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   5 and name O4*  )                        \par
        (resi   5 and name C1*  )                        \par
        (resi   5 and name C2*  )                        \par
        (resi   5 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   5 and name C1*  )                        \par
        (resi   5 and name C2*  )                        \par
        (resi   5 and name C3*  )                        \par
        (resi   5 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
 assign (resi   6 and name O4*  )                        \par
        (resi   6 and name C1*  )                        \par
        (resi   6 and name C2*  )                        \par
        (resi   6 and name C3*  )   1.0  25.0  15.0  2\par
      \tab\tab                            \par
 assign (resi   6 and name C1*  )                        \par
        (resi   6 and name C2*  )                        \par
        (resi   6 and name C3*  )                        \par
        (resi   6 and name C4*  )   1.0    -35.0    15.0  2 \{*South*\}\par
\par
 assign (resi   8 and name O4*  )                        \par
        (resi   8 and name C1*  )                        \par
        (resi   8 and name C2*  )                        \par
        (resi   8 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   8 and name C1*  )                        \par
        (resi   8 and name C2*  )                        \par
        (resi   8 and name C3*  )                        \par
        (resi   8 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   9 and name O4*  )                        \par
         (resi   9 and name C1*  )                        \par
         (resi   9 and name C2*  )                        \par
         (resi   9 and name C3*  )   1.0   -25.0   15.0  2\par
\par
\tab       \tab\tab                            \par
  assign (resi   9 and name C1*  )                        \par
         (resi   9 and name C2*  )                        \par
         (resi   9 and name C3*  )                        \par
         (resi   9 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   10 and name O4*  )                        \par
         (resi  10 and name C1*  )                        \par
         (resi  10 and name C2*  )                        \par
         (resi  10 and name C3*  )   1.0   -25.0    15.0  2\par
\tab                                  \par
 assign (resi   10 and name C1*  )                        \par
         (resi  10 and name C2*  )                        \par
         (resi  10 and name C3*  )                        \par
         (resi  10 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\tab  \par
 assign  (resi  11 and name O4*  )                        \par
         (resi  11 and name C1*  )                        \par
         (resi  11 and name C2*  )                        \par
         (resi  11 and name C3*  )   1.0   -35.0   15.0  2\par
\tab                                  \par
 assign  (resi  11 and name C1*  )                        \par
         (resi  11 and name C2*  )                        \par
         (resi  11 and name C3*  )                        \par
         (resi  11 and name C4*  )   1.0    25.0    15.0  2 \{*North*\}\par
\par
 assign  (resi  12 and name O4*  )                        \par
         (resi  12 and name C1*  )                        \par
         (resi  12 and name C2*  )                        \par
         (resi  12 and name C3*  )   1.0   -35.0   15.0  2\par
\tab                                  \par
 assign  (resi  12 and name C1*  )                        \par
         (resi  12 and name C2*  )                        \par
         (resi  12 and name C3*  )                        \par
         (resi  12 and name C4*  )   1.0    25.0    15.0  2 \{*North*\}\par
\tab   \par
 assign  (resi  13 and name O4*  )                        \par
         (resi  13 and name C1*  )                        \par
         (resi  13 and name C2*  )                        \par
         (resi  13 and name C3*  )   1.0   -35.0   15.0  2\par
\tab                                  \par
 assign  (resi  13 and name C1*  )                        \par
         (resi  13 and name C2*  )                        \par
         (resi  13 and name C3*  )                        \par
         (resi  13 and name C4*  )   1.0    25.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                           \tab\tab                           \par
 assign (resi  14 and name O4*  )\par
        (resi  14 and name C1*  )\par
        (resi  14 and name C2*  )\par
        (resi  14 and name C3*  )   1.0    -25.0    15.0  2\par
\par
 assign (resi  14 and name C1*  )                        \par
        (resi  14 and name C2*  )                        \par
        (resi  14 and name C3*  )                        \par
        (resi  14 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi  15 and name O4*  )                        \par
        (resi  15 and name C1*  )                        \par
        (resi  15 and name C2*  )                        \par
        (resi  15 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
 assign (resi  15 and name C1*  )                        \par
        (resi  15 and name C2*  )                        \par
        (resi  15 and name C3*  )                        \par
        (resi  15 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi  16 and name O4*  )                        \par
        (resi  16 and name C1*  )                        \par
        (resi  16 and name C2*  )                        \par
        (resi  16 and name C3*  )   1.0    -25.0   15.0  2 \par
\tab       \tab\tab                            \par
 assign (resi  16 and name C1*  )                        \par
        (resi  16 and name C2*  )                        \par
        (resi  16 and name C3*  )                        \par
        (resi  16 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi  17 and name O4*  )                        \par
        (resi  17 and name C1*  )                        \par
        (resi  17 and name C2*  )                        \par
        (resi  17 and name C3*  )   1.0   -25.0   15.0  2\par
      \tab                            \par
  assign (resi  17 and name C1*  )                        \par
         (resi  17 and name C2*  )                        \par
         (resi  17 and name C3*  )                        \par
         (resi  17 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign  (resi  18 and name O4*  )                        \par
         (resi  18 and name C1*  )                        \par
         (resi  18 and name C2*  )                        \par
         (resi  18 and name C3*  )   1.0   -25.0   15.0  2\par
\tab                                  \par
 assign  (resi  18 and name C1*  )                        \par
         (resi  18 and name C2*  )                        \par
         (resi  18 and name C3*  )                        \par
         (resi  18 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                           \par
  assign (resi  19 and name O4*  )                        \par
         (resi  19 and name C1*  )                        \par
         (resi  19 and name C2*  )                        \par
         (resi  19 and name C3*  )   1.0   -25.0   15.0  2\par
      \tab\tab                            \par
  assign (resi  19 and name C1*  )                        \par
         (resi  19 and name C2*  )                        \par
         (resi  19 and name C3*  )                        \par
         (resi  19 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
  assign (resi  20 and name O4*  )                        \par
         (resi  20 and name C1*  )                        \par
         (resi  20 and name C2*  )                        \par
         (resi  20 and name C3*  )   1.0   -25.0    20.0  2\par
\tab       \tab\tab                            \par
  assign (resi  20 and name C1*  )                        \par
         (resi  20 and name C2*  )                        \par
         (resi  20 and name C3*  )                        \par
         (resi  20 and name C4*  )   1.0  37.0    20.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi  21 and name O4*  )                        \par
        (resi  21 and name C1*  )                        \par
        (resi  21 and name C2*  )                        \par
        (resi  21 and name C3*  )   1.0   -25.0    20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  21 and name C1*  )                        \par
        (resi  21 and name C2*  )                        \par
        (resi  21 and name C3*  )                        \par
        (resi  21 and name C4*  )   1.0  37.0    20.0  2 \{*North*\}\par
\par
 assign (resi  22 and name O4*  )                        \par
        (resi  22 and name C1*  )                        \par
        (resi  22 and name C2*  )                        \par
        (resi  22 and name C3*  )   1.0   -25.0    20.0  2\par
\tab       \tab\tab                            \par
 assign (resi  22 and name C1*  )                        \par
        (resi  22 and name C2*  )                        \par
        (resi  22 and name C3*  )                        \par
        (resi  22 and name C4*  )   1.0  37.0    20.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   23 and name O4*  )                        \par
         (resi   23 and name C1*  )                        \par
         (resi   23 and name C2*  )                        \par
         (resi   23 and name C3*  )   1.0    -25.0   20.0  2\par
\tab       \tab\tab                            \par
  assign (resi   23 and name C1*  )                        \par
         (resi   23 and name C2*  )                        \par
         (resi   23 and name C3*  )                        \par
         (resi   23 and name C4*  )   1.0   37.0    20.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   24 and name O4*  )                        \par
         (resi   24 and name C1*  )                        \par
         (resi   24 and name C2*  )                        \par
         (resi   24 and name C3*  )   1.0    -25.0   20.0  2\par
\tab       \tab\tab                            \par
  assign (resi   24 and name C1*  )                        \par
         (resi   24 and name C2*  )                        \par
         (resi   24 and name C3*  )                        \par
         (resi   24 and name C4*  )   1.0   37.0    20.0  2 \{*North*\}\par
\par
 assign (resi   25 and name O4*  )                        \par
        (resi   25 and name C1*  )                        \par
        (resi   25 and name C2*  )                        \par
        (resi   25 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   25 and name C1*  )                        \par
        (resi   25 and name C2*  )                        \par
        (resi   25 and name C3*  )                        \par
        (resi   25 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
 assign (resi   26 and name O4*  )                        \par
        (resi   26 and name C1*  )                        \par
        (resi   26 and name C2*  )                        \par
        (resi   26 and name C3*  )   1.0  -25.0  15.0  2\par
      \tab\tab                            \par
 assign (resi   26 and name C1*  )                        \par
        (resi   26 and name C2*  )                        \par
        (resi   26 and name C3*  )                        \par
        (resi   26 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   27 and name O4*  )                        \par
        (resi   27 and name C1*  )                        \par
        (resi   27 and name C2*  )                        \par
        (resi   27 and name C3*  )   1.0    -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   27 and name C1*  )                        \par
        (resi   27 and name C2*  )                        \par
        (resi   27 and name C3*  )                        \par
        (resi   27 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi   28 and name O4*  )                        \par
        (resi   28 and name C1*  )                        \par
        (resi   28 and name C2*  )                        \par
        (resi   28 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   28 and name C1*  )                        \par
        (resi   28 and name C2*  )                        \par
        (resi   28 and name C3*  )                        \par
        (resi   28 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   29 and name O4*  )                        \par
         (resi   29 and name C1*  )                        \par
         (resi   29 and name C2*  )                        \par
         (resi   29 and name C3*  )   1.0   -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   29 and name C1*  )                        \par
         (resi   29 and name C2*  )                        \par
         (resi   29 and name C3*  )                        \par
         (resi   29 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   30 and name O4*  )                        \par
         (resi  30 and name C1*  )                        \par
         (resi  30 and name C2*  )                        \par
         (resi  30 and name C3*  )   1.0   -25.0    15.0  2\par
 \par
 assign (resi   30 and name C1*  )                        \par
         (resi  30 and name C2*  )                        \par
         (resi  30 and name C3*  )                        \par
         (resi  30 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   31 and name O4*  )                        \par
         (resi   31 and name C1*  )                        \par
         (resi   31 and name C2*  )                        \par
         (resi   31 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   31 and name C1*  )                        \par
         (resi   31 and name C2*  )                        \par
         (resi   31 and name C3*  )                        \par
         (resi   31 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   32 and name O4*  )                        \par
         (resi   32 and name C1*  )                        \par
         (resi   32 and name C2*  )                        \par
         (resi   32 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   32 and name C1*  )                        \par
         (resi   32 and name C2*  )                        \par
         (resi   32 and name C3*  )                        \par
         (resi   32 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   33 and name O4*  )                        \par
         (resi   33 and name C1*  )                        \par
         (resi   33 and name C2*  )                        \par
         (resi   33 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   33 and name C1*  )                        \par
         (resi   33 and name C2*  )                        \par
         (resi   33 and name C3*  )                        \par
         (resi   33 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   34 and name O4*  )                        \par
         (resi   34 and name C1*  )                        \par
         (resi   34 and name C2*  )                        \par
         (resi   34 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   34 and name C1*  )                        \par
         (resi   34 and name C2*  )                        \par
         (resi   34 and name C3*  )                        \par
         (resi   34 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   35 and name O4*  )                        \par
        (resi   35 and name C1*  )                        \par
        (resi   35 and name C2*  )                        \par
        (resi   35 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   35 and name C1*  )                        \par
        (resi   35 and name C2*  )                        \par
        (resi   35 and name C3*  )                        \par
        (resi   35 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
 assign (resi   36 and name O4*  )                        \par
        (resi   36 and name C1*  )                        \par
        (resi   36 and name C2*  )                        \par
        (resi   36 and name C3*  )   1.0  -25.0  20.0  2\par
      \tab\tab                            \par
 assign (resi   36 and name C1*  )                        \par
        (resi   36 and name C2*  )                        \par
        (resi   36 and name C3*  )                        \par
        (resi   36 and name C4*  )   1.0    37.0    20.0  2 \{*North*\}\par
\par
 assign (resi   37 and name O4*  )                        \par
        (resi   37 and name C1*  )                        \par
        (resi   37 and name C2*  )                        \par
        (resi   37 and name C3*  )   1.0    25.0    10.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   37 and name C1*  )                        \par
        (resi   37 and name C2*  )                        \par
        (resi   37 and name C3*  )                        \par
        (resi   37 and name C4*  )   1.0   -35.0    10.0  2 \{*South*\}\par
\tab       \tab\tab                            \par
 assign (resi   38 and name O4*  )                        \par
        (resi   38 and name C1*  )                        \par
        (resi   38 and name C2*  )                        \par
        (resi   38 and name C3*  )   1.0   -25.0    20.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   38 and name C1*  )                        \par
        (resi   38 and name C2*  )                        \par
        (resi   38 and name C3*  )                        \par
        (resi   38 and name C4*  )   1.0   37.0    20.0  2 \{*North*\}\par
\par
  assign (resi   39 and name O4*  )                        \par
         (resi   39 and name C1*  )                        \par
         (resi   39 and name C2*  )                        \par
         (resi   39 and name C3*  )   1.0   -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   39 and name C1*  )                        \par
         (resi   39 and name C2*  )                        \par
         (resi   39 and name C3*  )                        \par
         (resi   39 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   40 and name O4*  )                        \par
         (resi  40 and name C1*  )                        \par
         (resi  40 and name C2*  )                        \par
         (resi  40 and name C3*  )   1.0   -25.0    15.0  2\par
\tab                                  \par
 assign (resi   40 and name C1*  )                        \par
         (resi  40 and name C2*  )                        \par
         (resi  40 and name C3*  )                        \par
         (resi  40 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
  \par
  assign (resi   41 and name O4*  )                        \par
         (resi   41 and name C1*  )                        \par
         (resi   41 and name C2*  )                        \par
         (resi   41 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   41 and name C1*  )                        \par
         (resi   41 and name C2*  )                        \par
         (resi   41 and name C3*  )                        \par
         (resi   41 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   42 and name O4*  )                        \par
         (resi   42 and name C1*  )                        \par
         (resi   42 and name C2*  )                        \par
         (resi   42 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   42 and name C1*  )                        \par
         (resi   42 and name C2*  )                        \par
         (resi   42 and name C3*  )                        \par
         (resi   42 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   44 and name O4*  )                        \par
         (resi   44 and name C1*  )                        \par
         (resi   44 and name C2*  )                        \par
         (resi   44 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   44 and name C1*  )                        \par
         (resi   44 and name C2*  )                        \par
         (resi   44 and name C3*  )                        \par
         (resi   44 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   45 and name O4*  )                        \par
        (resi   45 and name C1*  )                        \par
        (resi   45 and name C2*  )                        \par
        (resi   45 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   45 and name C1*  )                        \par
        (resi   45 and name C2*  )                        \par
        (resi   45 and name C3*  )                        \par
        (resi   45 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
 assign (resi   46 and name O4*  )                        \par
        (resi   46 and name C1*  )                        \par
        (resi   46 and name C2*  )                        \par
        (resi   46 and name C3*  )   1.0  -25.0  15.0  2\par
      \tab\tab                            \par
 assign (resi   46 and name C1*  )                        \par
        (resi   46 and name C2*  )                        \par
        (resi   46 and name C3*  )                        \par
        (resi   46 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   47 and name O4*  )                        \par
        (resi   47 and name C1*  )                        \par
        (resi   47 and name C2*  )                        \par
        (resi   47 and name C3*  )   1.0    -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   47 and name C1*  )                        \par
        (resi   47 and name C2*  )                        \par
        (resi   47 and name C3*  )                        \par
        (resi   47 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi   48 and name O4*  )                        \par
        (resi   48 and name C1*  )                        \par
        (resi   48 and name C2*  )                        \par
        (resi   48 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   48 and name C1*  )                        \par
        (resi   48 and name C2*  )                        \par
        (resi   48 and name C3*  )                        \par
        (resi   48 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   49 and name O4*  )                        \par
         (resi   49 and name C1*  )                        \par
         (resi   49 and name C2*  )                        \par
         (resi   49 and name C3*  )   1.0   25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   49 and name C1*  )                        \par
         (resi   49 and name C2*  )                        \par
         (resi   49 and name C3*  )                        \par
         (resi   49 and name C4*  )   1.0    -35.0    15.0  2 \{*South*\}\par
\par
  assign (resi   51 and name O4*  )                        \par
         (resi   51 and name C1*  )                        \par
         (resi   51 and name C2*  )                        \par
         (resi   51 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   51 and name C1*  )                        \par
         (resi   51 and name C2*  )                        \par
         (resi   51 and name C3*  )                        \par
         (resi   51 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   52 and name O4*  )                        \par
         (resi   52 and name C1*  )                        \par
         (resi   52 and name C2*  )                        \par
         (resi   52 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   52 and name C1*  )                        \par
         (resi   52 and name C2*  )                        \par
         (resi   52 and name C3*  )                        \par
         (resi   52 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   53 and name O4*  )                        \par
         (resi   53 and name C1*  )                        \par
         (resi   53 and name C2*  )                        \par
         (resi   53 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   53 and name C1*  )                        \par
         (resi   53 and name C2*  )                        \par
         (resi   53 and name C3*  )                        \par
         (resi   53 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   54 and name O4*  )                        \par
         (resi   54 and name C1*  )                        \par
         (resi   54 and name C2*  )                        \par
         (resi   54 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   54 and name C1*  )                        \par
         (resi   54 and name C2*  )                        \par
         (resi   54 and name C3*  )                        \par
         (resi   54 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   55 and name O4*  )                        \par
        (resi   55 and name C1*  )                        \par
        (resi   55 and name C2*  )                        \par
        (resi   55 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   55 and name C1*  )                        \par
        (resi   55 and name C2*  )                        \par
        (resi   55 and name C3*  )                        \par
        (resi   55 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
 assign (resi   56 and name O4*  )                        \par
        (resi   56 and name C1*  )                        \par
        (resi   56 and name C2*  )                        \par
        (resi   56 and name C3*  )   1.0  -25.0  15.0  2\par
      \tab\tab                            \par
 assign (resi   56 and name C1*  )                        \par
        (resi   56 and name C2*  )                        \par
        (resi   56 and name C3*  )                        \par
        (resi   56 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   57 and name O4*  )                        \par
        (resi   57 and name C1*  )                        \par
        (resi   57 and name C2*  )                        \par
        (resi   57 and name C3*  )   1.0    -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   57 and name C1*  )                        \par
        (resi   57 and name C2*  )                        \par
        (resi   57 and name C3*  )                        \par
        (resi   57 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi   58 and name O4*  )                        \par
        (resi   58 and name C1*  )                        \par
        (resi   58 and name C2*  )                        \par
        (resi   58 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   58 and name C1*  )                        \par
        (resi   58 and name C2*  )                        \par
        (resi   58 and name C3*  )                        \par
        (resi   58 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   59 and name O4*  )                        \par
         (resi   59 and name C1*  )                        \par
         (resi   59 and name C2*  )                        \par
         (resi   59 and name C3*  )   1.0   -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   59 and name C1*  )                        \par
         (resi   59 and name C2*  )                        \par
         (resi   59 and name C3*  )                        \par
         (resi   59 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   60 and name O4*  )                        \par
         (resi  60 and name C1*  )                        \par
         (resi  60 and name C2*  )                        \par
         (resi  60 and name C3*  )   1.0   -25.0    15.0  2\par
\tab                                  \par
 assign (resi   60 and name C1*  )                        \par
         (resi  60 and name C2*  )                        \par
         (resi  60 and name C3*  )                        \par
         (resi  60 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   61 and name O4*  )                        \par
         (resi   61 and name C1*  )                        \par
         (resi   61 and name C2*  )                        \par
         (resi   61 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   61 and name C1*  )                        \par
         (resi   61 and name C2*  )                        \par
         (resi   61 and name C3*  )                        \par
         (resi   61 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   62 and name O4*  )                        \par
         (resi   62 and name C1*  )                        \par
         (resi   62 and name C2*  )                        \par
         (resi   62 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   62 and name C1*  )                        \par
         (resi   62 and name C2*  )                        \par
         (resi   62 and name C3*  )                        \par
         (resi   62 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   63 and name O4*  )                        \par
         (resi   63 and name C1*  )                        \par
         (resi   63 and name C2*  )                        \par
         (resi   63 and name C3*  )   1.0    -25.0   20.0  2\par
\tab       \tab\tab                            \par
  assign (resi   63 and name C1*  )                        \par
         (resi   63 and name C2*  )                        \par
         (resi   63 and name C3*  )                        \par
         (resi   63 and name C4*  )   1.0   37.0    20.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   64 and name O4*  )                        \par
         (resi   64 and name C1*  )                        \par
         (resi   64 and name C2*  )                        \par
         (resi   64 and name C3*  )   1.0    -25.0   20.0  2\par
\tab       \tab\tab                            \par
  assign (resi   64 and name C1*  )                        \par
         (resi   64 and name C2*  )                        \par
         (resi   64 and name C3*  )                        \par
         (resi   64 and name C4*  )   1.0   37.0    20.0  2 \{*North*\}\par
\par
 assign (resi   65 and name O4*  )                        \par
        (resi   65 and name C1*  )                        \par
        (resi   65 and name C2*  )                        \par
        (resi   65 and name C3*  )   1.0   -25.0    20.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   65 and name C1*  )                        \par
        (resi   65 and name C2*  )                        \par
        (resi   65 and name C3*  )                        \par
        (resi   65 and name C4*  )   1.0   37.0   20.0  2 \{*North*\}\par
\par
 assign (resi   66 and name O4*  )                        \par
        (resi   66 and name C1*  )                        \par
        (resi   66 and name C2*  )                        \par
        (resi   66 and name C3*  )   1.0  -25.0  20.0  2\par
      \tab\tab                            \par
 assign (resi   66 and name C1*  )                        \par
        (resi   66 and name C2*  )                        \par
        (resi   66 and name C3*  )                        \par
        (resi   66 and name C4*  )   1.0    37.0    20.0  2 \{*North*\}\par
\par
 assign (resi   67 and name O4*  )                        \par
        (resi   67 and name C1*  )                        \par
        (resi   67 and name C2*  )                        \par
        (resi   67 and name C3*  )   1.0    -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   67 and name C1*  )                        \par
        (resi   67 and name C2*  )                        \par
        (resi   67 and name C3*  )                        \par
        (resi   67 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
 assign (resi   68 and name O4*  )                        \par
        (resi   68 and name C1*  )                        \par
        (resi   68 and name C2*  )                        \par
        (resi   68 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   68 and name C1*  )                        \par
        (resi   68 and name C2*  )                        \par
        (resi   68 and name C3*  )                        \par
        (resi   68 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   69 and name O4*  )                        \par
         (resi   69 and name C1*  )                        \par
         (resi   69 and name C2*  )                        \par
         (resi   69 and name C3*  )   1.0   -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   69 and name C1*  )                        \par
         (resi   69 and name C2*  )                        \par
         (resi   69 and name C3*  )                        \par
         (resi   69 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   70 and name O4*  )                        \par
         (resi  70 and name C1*  )                        \par
         (resi  70 and name C2*  )                        \par
         (resi  70 and name C3*  )   1.0    -25.0    15.0  2\par
\tab                                 \par
 assign (resi   70 and name C1*  )                        \par
         (resi  70 and name C2*  )                        \par
         (resi  70 and name C3*  )                        \par
         (resi  70 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   71 and name O4*  )                        \par
        (resi   71 and name C1*  )                        \par
        (resi   71 and name C2*  )                        \par
        (resi   71 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   71 and name C1*  )                        \par
        (resi   71 and name C2*  )                        \par
        (resi   71 and name C3*  )                        \par
        (resi   71 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   72 and name O4*  )                        \par
         (resi   72 and name C1*  )                        \par
         (resi   72 and name C2*  )                        \par
         (resi   72 and name C3*  )   1.0   -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   72 and name C1*  )                        \par
         (resi   72 and name C2*  )                        \par
         (resi   72 and name C3*  )                        \par
         (resi   72 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   73 and name O4*  )                        \par
         (resi  73 and name C1*  )                        \par
         (resi  73 and name C2*  )                        \par
         (resi  73 and name C3*  )   1.0   -25.0    15.0  2\par
\par
 assign (resi   73 and name C1*  )                        \par
         (resi  73 and name C2*  )                        \par
         (resi  73 and name C3*  )                        \par
         (resi  73 and name C4*  )   1.0    37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   74 and name O4*  )                        \par
         (resi   74 and name C1*  )                        \par
         (resi   74 and name C2*  )                        \par
         (resi   74 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   74 and name C1*  )                        \par
         (resi   74 and name C2*  )                        \par
         (resi   74 and name C3*  )                        \par
         (resi   74 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   75 and name O4*  )                        \par
         (resi   75 and name C1*  )                        \par
         (resi   75 and name C2*  )                        \par
         (resi   75 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab                            \par
  assign (resi   75 and name C1*  )                        \par
         (resi   75 and name C2*  )                        \par
         (resi   75 and name C3*  )                        \par
         (resi   75 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   76 and name O4*  )                        \par
         (resi   76 and name C1*  )                        \par
         (resi   76 and name C2*  )                        \par
         (resi   76 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   76 and name C1*  )                        \par
         (resi   76 and name C2*  )                        \par
         (resi   76 and name C3*  )                        \par
         (resi   76 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   77 and name O4*  )                        \par
         (resi   77 and name C1*  )                        \par
         (resi   77 and name C2*  )                        \par
         (resi   77 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   77 and name C1*  )                        \par
         (resi   77 and name C2*  )                        \par
         (resi   77 and name C3*  )                        \par
         (resi   77 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
  assign (resi   78 and name O4*  )                        \par
         (resi   78 and name C1*  )                        \par
         (resi   78 and name C2*  )                        \par
         (resi   78 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
  assign (resi   78 and name C1*  )                        \par
         (resi   78 and name C2*  )                        \par
         (resi   78 and name C3*  )                        \par
         (resi   78 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
 \par
  assign (resi   79 and name O4*  )                        \par
         (resi   79 and name C1*  )                        \par
         (resi   79 and name C2*  )                        \par
         (resi   79 and name C3*  )   1.0  -25.0  20.0  2\par
      \tab\tab                          \par
  assign (resi   79 and name C1*  )                        \par
         (resi   79 and name C2*  )                        \par
         (resi   79 and name C3*  )                        \par
         (resi   79 and name C4*  )   1.0    37.0    20.0  2 \{*North*\}\par
\par
  assign (resi   80 and name O4*  )                        \par
         (resi   80 and name C1*  )                        \par
         (resi   80 and name C2*  )                        \par
         (resi   80 and name C3*  )   1.0    25.0    10.0  2\par
\tab       \tab\tab\tab                    \par
  assign (resi   80 and name C1*  )                        \par
         (resi   80 and name C2*  )                        \par
         (resi   80 and name C3*  )                        \par
         (resi   80 and name C4*  )   1.0   -35.0    10.0  2 \{*South*\}\par
\par
\par
  assign (resi   81 and name O4*  )                        \par
         (resi   81 and name C1*  )                        \par
         (resi   81 and name C2*  )                        \par
         (resi   81 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   81 and name C1*  )                        \par
         (resi   81 and name C2*  )                        \par
         (resi   81 and name C3*  )                        \par
         (resi   81 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\tab       \tab\tab              \tab\tab\tab                                  \par
\tab       \tab\tab                            \par
  assign (resi   82 and name O4*  )                        \par
         (resi   82 and name C1*  )                        \par
         (resi   82 and name C2*  )                        \par
         (resi   82 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   82 and name C1*  )                        \par
         (resi   82 and name C2*  )                        \par
         (resi   82 and name C3*  )                        \par
         (resi   82 and name C4*  )   1.0   37.0     15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   83 and name O4*  )                        \par
         (resi   83 and name C1*  )                        \par
         (resi   83 and name C2*  )                        \par
         (resi   83 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   83 and name C1*  )                        \par
         (resi   83 and name C2*  )                        \par
         (resi   83 and name C3*  )                        \par
         (resi   83 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\tab       \tab\tab                            \par
  assign (resi   84 and name O4*  )                        \par
         (resi   84 and name C1*  )                        \par
         (resi   84 and name C2*  )                        \par
         (resi   84 and name C3*  )   1.0    -25.0   15.0  2\par
\tab       \tab\tab                            \par
  assign (resi   84 and name C1*  )                        \par
         (resi   84 and name C2*  )                        \par
         (resi   84 and name C3*  )                        \par
         (resi   84 and name C4*  )   1.0   37.0    15.0  2 \{*North*\}\par
\par
 assign (resi   85 and name O4*  )                        \par
        (resi   85 and name C1*  )                        \par
        (resi   85 and name C2*  )                        \par
        (resi   85 and name C3*  )   1.0   -25.0    15.0  2\par
\tab       \tab\tab\tab                    \par
 assign (resi   85 and name C1*  )                        \par
        (resi   85 and name C2*  )                        \par
        (resi   85 and name C3*  )                        \par
        (resi   85 and name C4*  )   1.0   37.0   15.0  2 \{*North*\}\par
\par
!planarity restriants\par
  group select ( (store1 and (resid  1 or resid 43) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  2 or resid 42) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  3 or resid 41) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  4 or resid 40) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  5 or resid 39) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  6 or resid 36) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 37 or resid 38) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  8 or resid 35) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid  9 or resid 34) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 10 or resid 33) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 11 or resid 32) ) ) weigh=1.0 end \par
  group select ( (store1 and (resid 12 or resid 31) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 13 or resid 30) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 14 or resid 29) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 15 or resid 28) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 16 or resid 27) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 17 or resid 26) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 18 or resid 25) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 19 or resid 24) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 44 or resid 86) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 45 or resid 85) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 46 or resid 84) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 47 or resid 83) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 48 or resid 82) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 49 or resid 79) ) ) weigh=1.0 end \par
  group select ( (store1 and (resid 80 or resid 81) ) ) weigh=1.0 end \par
  group select ( (store1 and (resid 51 or resid 78) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 52 or resid 77) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 53 or resid 76) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 54 or resid 75) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 55 or resid 74) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 56 or resid 73) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 57 or resid 72) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 58 or resid 71) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 59 or resid 70) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 60 or resid 69) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 61 or resid 68) ) ) weigh=1.0 end \par
  group select ( (store1 and (resid 62 or resid 67) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 63 or resid 66) ) ) weigh=1.0 end\par
  group select ( (store1 and (resid 20 or resid 23) ) ) weigh=1.0 end\par
\par
\par
 \par
RDC_restraints\par
\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  2   and name N1  )\par
       ( resid  2   and name H1  )     15.1  2.2000 2.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  5   and name N3  )\par
       ( resid  5   and name H3  )     39.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  9   and name N1  )\par
       ( resid  9   and name H1  )     50.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  17  and name N1  )\par
       ( resid  17  and name H1  )     8.1  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  18  and name N1  )\par
       ( resid  18  and name H1  )     45.1  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  20  and name N1  )\par
       ( resid  20  and name H1  )     35.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  28  and name N1  )\par
       ( resid  28  and name H1  )     26.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  29  and name N3  )\par
       ( resid  29  and name H3  )     24.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  33  and name N3  )\par
       ( resid  33  and name H3  )     13.5  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  36  and name N3  )\par
       ( resid  36  and name H3  )     51.8  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  39  and name N1  )\par
       ( resid  39  and name H1  )     40.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  43  and name N3  )\par
       ( resid  43  and name H3  )     4.96  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  45   and name N1  )\par
       ( resid  45   and name H1  )     15.1  2.2000 2.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  48   and name N3  )\par
       ( resid  48   and name H3  )     39.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  52   and name N1  )\par
       ( resid  52   and name H1  )     50.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  60  and name N1  )\par
       ( resid  60  and name H1  )     8.1  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  61  and name N1  )\par
       ( resid  61  and name H1  )     45.1  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  63  and name N1  )\par
       ( resid  63  and name H1  )     35.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  71  and name N1  )\par
       ( resid  71  and name H1  )     26.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  72  and name N3  )\par
       ( resid  72  and name H3  )     24.4  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  76 and name N3  )\par
       ( resid  76  and name H3  )     13.5  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  79  and name N3  )\par
       ( resid  79  and name H3  )     51.8  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  82  and name N1  )\par
       ( resid  82  and name H1  )     40.2  1.2000 1.2000\par
\par
assign ( resid  500  and name OO  )\par
       ( resid  500  and name Z   )\par
       ( resid  500  and name X   )\par
       ( resid  500  and name Y   )\par
       ( resid  86  and name N3  )\par
       ( resid  86  and name H3  )     4.96  1.2000 1.2000\par
\par
\par
\par
\par
\par
\f1\par
}

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   6.832 -44.109  -5.486
    2   2H5*    G   1          2H5*        G   1   6.750 -42.335  -5.490
    3    H4*    G   1           H4*        G   1   6.869 -43.368  -7.771
    4    H3*    G   1           H3*        G   1   4.675 -41.518  -6.935
    5    H2*    G   1           H2*        G   1   3.325 -41.959  -8.791
    6   2HO*    G   1          2HO*        G   1   5.029 -43.465 -10.315
    7    H1*    G   1           H1*        G   1   3.819 -44.620  -9.157
    8    H8     G   1           H8         G   1   3.587 -44.802  -5.562
    9    H1     G   1           H1         G   1  -2.065 -43.054  -8.005
   10   1H2     G   1          1H2         G   1  -1.815 -42.407 -10.112
   11   2H2     G   1          2H2         G   1  -0.262 -42.403 -10.916
   12    H5T    G   1           H5T        G   1   5.248 -43.532  -4.073
   13   1H5*    G   2          1H5*        G   2   4.743 -40.708 -10.604
   14   2H5*    G   2          2H5*        G   2   4.992 -39.003 -11.035
   15    H4*    G   2           H4*        G   2   2.885 -39.880 -11.963
   16    H3*    G   2           H3*        G   2   2.743 -37.697  -9.890
   17    H2*    G   2           H2*        G   2   0.428 -37.830  -9.778
   18   2HO*    G   2          2HO*        G   2  -0.049 -39.287 -12.076
   19    H1*    G   2           H1*        G   2   0.108 -40.533 -10.569
   20    H8     G   2           H8         G   2   2.350 -40.408  -7.582
   21    H1     G   2           H1         G   2  -3.826 -39.701  -6.064
   22   1H2     G   2          1H2         G   2  -5.022 -39.322  -7.901
   23   2H2     G   2          2H2         G   2  -4.299 -39.249  -9.492
   24   1H5*    G   3          1H5*        G   3   0.233 -36.794 -12.573
   25   2H5*    G   3          2H5*        G   3   0.432 -35.368 -13.612
   26    H4*    G   3           H4*        G   3  -1.800 -35.217 -12.952
   27    H3*    G   3           H3*        G   3  -0.081 -33.527 -11.147
   28    H2*    G   3           H2*        G   3  -1.824 -33.133  -9.674
   29   2HO*    G   3          2HO*        G   3  -3.569 -33.664 -11.862
   30    H1*    G   3           H1*        G   3  -3.370 -35.453 -10.176
   31    H8     G   3           H8         G   3   0.315 -35.759  -9.072
   32    H1     G   3           H1         G   3  -3.958 -35.875  -4.307
   33   1H2     G   3          1H2         G   3  -5.980 -35.433  -5.095
   34   2H2     G   3          2H2         G   3  -6.282 -35.109  -6.787
   35   1H5*    A   4          1H5*        A   4  -4.116 -31.652 -12.521
   36   2H5*    A   4          2H5*        A   4  -3.674 -29.984 -12.937
   37    H4*    A   4           H4*        A   4  -5.757 -30.056 -11.639
   38    H3*    A   4           H3*        A   4  -3.344 -28.730 -10.433
   39    H2*    A   4           H2*        A   4  -4.385 -28.434  -8.362
   40   2HO*    A   4          2HO*        A   4  -6.952 -29.156  -8.937
   41    H1*    A   4           H1*        A   4  -5.927 -30.725  -8.280
   42    H8     A   4           H8         A   4  -2.252 -30.976  -9.468
   43   1H6     A   4          1H6         A   4  -0.960 -32.494  -3.628
   44   2H6     A   4          2H6         A   4  -0.317 -32.309  -5.243
   45    H2     A   4           H2         A   4  -5.323 -31.419  -3.841
   46   1H5*    U   5          1H5*        U   5  -6.571 -26.796  -9.127
   47   2H5*    U   5          2H5*        U   5  -6.489 -25.029  -9.268
   48    H4*    U   5           H4*        U   5  -6.963 -25.722  -6.959
   49    H3*    U   5           H3*        U   5  -4.384 -24.303  -7.557
   50    H2*    U   5           H2*        U   5  -3.520 -24.675  -5.432
   51   2HO*    U   5          2HO*        U   5  -4.717 -24.517  -3.685
   52    H1*    U   5           H1*        U   5  -4.814 -27.075  -4.798
   53    H3     U   5           H3         U   5  -0.570 -28.526  -4.593
   54    H5     U   5           H5         U   5  -1.018 -27.416  -8.634
   55    H6     U   5           H6         U   5  -3.231 -26.582  -8.091
   56   1H5*    A   6          1H5*        A   6  -7.411 -23.016  -5.090
   57   2H5*    A   6          2H5*        A   6  -8.296 -21.480  -5.007
   58    H4*    A   6           H4*        A   6  -7.988 -22.667  -2.801
   59    H3*    A   6           H3*        A   6  -7.729 -19.881  -3.316
   60    H2*    A   6           H2*        A   6  -5.508 -19.617  -2.707
   61   2HO*    A   6          2HO*        A   6  -5.448 -18.965  -0.686
   62    H1*    A   6           H1*        A   6  -5.500 -22.011  -0.900
   63    H8     A   6           H8         A   6  -3.804 -21.219  -4.311
   64   1H6     A   6          1H6         A   6   1.501 -21.627  -1.155
   65   2H6     A   6          2H6         A   6   0.788 -21.397  -2.735
   66    H2     A   6           H2         A   6  -1.886 -22.122   1.752
   67   1H5*    U   7          1H5*        U   7 -10.428 -19.922   1.038
   68   2H5*    U   7          2H5*        U   7 -10.431 -18.184   1.401
   69    H4*    U   7           H4*        U   7  -8.883 -18.632   2.958
   70    H3*    U   7           H3*        U   7  -7.385 -18.547   0.472
   71    H2*    U   7           H2*        U   7  -6.286 -20.545   0.681
   72   2HO*    U   7          2HO*        U   7  -5.038 -18.849   2.171
   73    H1*    U   7           H1*        U   7  -6.941 -20.939   3.566
   74    H3     U   7           H3         U   7  -9.073 -25.108   2.073
   75    H5     U   7           H5         U   7  -5.099 -24.651   0.742
   76    H6     U   7           H6         U   7  -5.210 -22.323   1.418
   77   1H5*    G   8          1H5*        G   8  -3.853 -19.972   3.574
   78   2H5*    G   8          2H5*        G   8  -3.833 -19.029   5.079
   79    H4*    G   8           H4*        G   8  -1.632 -18.792   4.703
   80    H3*    G   8           H3*        G   8  -2.869 -16.791   2.892
   81    H2*    G   8           H2*        G   8  -1.101 -16.642   1.394
   82   2HO*    G   8          2HO*        G   8   0.393 -17.276   3.665
   83    H1*    G   8           H1*        G   8  -0.079 -19.185   1.463
   84    H8     G   8           H8         G   8  -3.756 -19.705   1.394
   85    H1     G   8           H1         G   8  -1.509 -17.849  -4.300
   86   1H2     G   8          1H2         G   8   0.590 -17.179  -4.108
   87   2H2     G   8          2H2         G   8   1.440 -17.184  -2.583
   88   1H5*    G   9          1H5*        G   9  -3.130 -12.911   2.776
   89   2H5*    G   9          2H5*        G   9  -3.036 -14.650   2.431
   90    H4*    G   9           H4*        G   9  -0.504 -13.195   2.018
   91    H3*    G   9           H3*        G   9  -2.980 -12.312   0.574
   92    H2*    G   9           H2*        G   9  -2.018 -12.564  -1.546
   93   2HO*    G   9          2HO*        G   9   0.131 -12.445  -1.925
   94    H1*    G   9           H1*        G   9  -0.529 -14.813  -1.130
   95    H8     G   9           H8         G   9  -3.424 -15.968   0.683
   96    H1     G   9           H1         G   9  -4.916 -15.177  -5.493
   97   1H2     G   9          1H2         G   9  -3.348 -13.971  -6.501
   98   2H2     G   9          2H2         G   9  -1.940 -13.364  -5.660
   99   1H5*    A  10          1H5*        A  10  -0.321  -9.416  -0.648
  100   2H5*    A  10          2H5*        A  10  -0.735  -7.740  -0.236
  101    H4*    A  10           H4*        A  10  -0.415  -7.906  -2.627
  102    H3*    A  10           H3*        A  10  -3.269  -7.523  -1.727
  103    H2*    A  10           H2*        A  10  -4.056  -7.727  -3.909
  104   2HO*    A  10          2HO*        A  10  -1.417  -7.052  -4.744
  105    H1*    A  10           H1*        A  10  -2.078  -9.453  -4.917
  106    H8     A  10           H8         A  10  -3.501 -10.933  -1.773
  107   1H6     A  10          1H6         A  10  -8.214 -13.003  -5.192
  108   2H6     A  10          2H6         A  10  -7.436 -13.069  -3.627
  109    H2     A  10           H2         A  10  -5.812 -10.167  -7.718
  110   1H5*    A  11          1H5*        A  11  -1.885  -4.502  -4.722
  111   2H5*    A  11          2H5*        A  11  -2.665  -2.923  -4.496
  112    H4*    A  11           H4*        A  11  -2.780  -3.836  -6.841
  113    H3*    A  11           H3*        A  11  -5.308  -3.182  -5.317
  114    H2*    A  11           H2*        A  11  -6.611  -3.893  -7.145
  115   2HO*    A  11          2HO*        A  11  -5.110  -2.720  -8.650
  116    H1*    A  11           H1*        A  11  -5.059  -6.047  -7.905
  117    H8     A  11           H8         A  11  -5.331  -5.961  -4.125
  118   1H6     A  11          1H6         A  11 -10.719  -8.920  -4.792
  119   2H6     A  11          2H6         A  11  -9.510  -8.377  -3.648
  120    H2     A  11           H2         A  11  -9.337  -7.617  -8.863
  121   1H5*    G  12          1H5*        G  12  -5.864  -0.339  -8.709
  122   2H5*    G  12          2H5*        G  12  -6.440   1.158  -7.949
  123    H4*    G  12           H4*        G  12  -8.030   0.231  -9.623
  124    H3*    G  12           H3*        G  12  -8.904   0.449  -6.738
  125    H2*    G  12           H2*        G  12 -10.990  -0.490  -7.277
  126   2HO*    G  12          2HO*        G  12 -10.584  -0.385 -10.054
  127    H1*    G  12           H1*        G  12 -10.120  -2.281  -9.210
  128    H8     G  12           H8         G  12  -7.848  -2.381  -6.176
  129    H1     G  12           H1         G  12 -13.255  -5.720  -5.430
  130   1H2     G  12          1H2         G  12 -14.649  -5.289  -7.105
  131   2H2     G  12          2H2         G  12 -14.247  -4.182  -8.398
  132   1H5*    A  13          1H5*        A  13 -12.059   2.023  -8.831
  133   2H5*    A  13          2H5*        A  13 -12.457   3.664  -8.282
  134    H4*    A  13           H4*        A  13 -14.485   2.394  -8.266
  135    H3*    A  13           H3*        A  13 -13.343   2.866  -5.511
  136    H2*    A  13           H2*        A  13 -15.043   1.579  -4.542
  137   2HO*    A  13          2HO*        A  13 -16.868   0.963  -6.148
  138    H1*    A  13           H1*        A  13 -15.357  -0.291  -6.581
  139    H8     A  13           H8         A  13 -11.751   0.478  -5.465
  140   1H6     A  13          1H6         A  13 -12.445  -4.271  -1.571
  141   2H6     A  13          2H6         A  13 -11.320  -3.103  -2.228
  142    H2     A  13           H2         A  13 -16.419  -3.481  -3.514
  143   1H5*    A  14          1H5*        A  14 -17.824   4.063  -5.725
  144   2H5*    A  14          2H5*        A  14 -17.925   5.525  -4.723
  145    H4*    A  14           H4*        A  14 -19.664   3.831  -4.168
  146    H3*    A  14           H3*        A  14 -17.647   4.651  -2.080
  147    H2*    A  14           H2*        A  14 -18.516   3.106  -0.544
  148   2HO*    A  14          2HO*        A  14 -20.575   2.181  -0.782
  149    H1*    A  14           H1*        A  14 -19.103   1.059  -2.297
  150    H8     A  14           H8         A  14 -15.742   2.836  -2.895
  151   1H6     A  14          1H6         A  14 -13.323  -1.393   0.899
  152   2H6     A  14          2H6         A  14 -12.973  -0.068  -0.188
  153    H2     A  14           H2         A  14 -17.790  -1.904   0.927
  154   1H5*    C  15          1H5*        C  15 -21.760   5.053  -0.166
  155   2H5*    C  15          2H5*        C  15 -21.649   6.513   0.836
  156    H4*    C  15           H4*        C  15 -22.448   4.513   2.088
  157    H3*    C  15           H3*        C  15 -19.864   5.840   2.924
  158    H2*    C  15           H2*        C  15 -19.549   4.234   4.598
  159   2HO*    C  15          2HO*        C  15 -21.545   2.758   4.957
  160    H1*    C  15           H1*        C  15 -20.688   2.049   3.279
  161   1H4     C  15          1H4         C  15 -14.426   1.066   2.790
  162   2H4     C  15          2H4         C  15 -14.281   2.366   1.630
  163    H5     C  15           H5         C  15 -16.125   3.770   0.982
  164    H6     C  15           H6         C  15 -18.503   4.250   1.324
  165   1H5*    C  16          1H5*        C  16 -21.667   5.599   6.662
  166   2H5*    C  16          2H5*        C  16 -21.401   7.135   7.512
  167    H4*    C  16           H4*        C  16 -20.360   5.301   8.738
  168    H3*    C  16           H3*        C  16 -18.482   7.275   7.431
  169    H2*    C  16           H2*        C  16 -16.630   6.039   8.130
  170   2HO*    C  16          2HO*        C  16 -16.556   5.215  10.064
  171    H1*    C  16           H1*        C  16 -17.808   3.487   8.087
  172   1H4     C  16          1H4         C  16 -13.909   3.484   3.079
  173   2H4     C  16          2H4         C  16 -14.840   4.740   2.290
  174    H5     C  16           H5         C  16 -16.767   5.786   3.296
  175    H6     C  16           H6         C  16 -18.193   5.877   5.289
  176   1H5*    G  17          1H5*        G  17 -18.010   6.898  12.227
  177   2H5*    G  17          2H5*        G  17 -17.607   8.571  12.661
  178    H4*    G  17           H4*        G  17 -16.213   6.978  13.900
  179    H3*    G  17           H3*        G  17 -14.838   8.749  11.880
  180    H2*    G  17           H2*        G  17 -12.776   7.704  12.285
  181   2HO*    G  17          2HO*        G  17 -13.855   6.427  14.588
  182    H1*    G  17           H1*        G  17 -13.688   5.121  12.655
  183    H8     G  17           H8         G  17 -15.421   6.841   9.741
  184    H1     G  17           H1         G  17  -9.738   4.330   8.214
  185   1H2     G  17          1H2         G  17  -8.691   3.637  10.055
  186   2H2     G  17          2H2         G  17  -9.385   3.811  11.651
  187   1H5*    G  18          1H5*        G  18 -12.258   8.337  15.019
  188   2H5*    G  18          2H5*        G  18 -11.817   9.929  15.669
  189    H4*    G  18           H4*        G  18  -9.825   8.553  15.252
  190    H3*    G  18           H3*        G  18 -10.191  11.022  13.553
  191    H2*    G  18           H2*        G  18  -8.313  10.497  12.287
  192   2HO*    G  18          2HO*        G  18  -7.404   8.806  14.390
  193    H1*    G  18           H1*        G  18  -8.358   7.678  12.642
  194    H8     G  18           H8         G  18 -11.544   9.137  11.167
  195    H1     G  18           H1         G  18  -6.985   7.982   6.824
  196   1H2     G  18          1H2         G  18  -5.084   7.458   7.839
  197   2H2     G  18          2H2         G  18  -4.936   7.396   9.581
  198   1H5*    G  19          1H5*        G  19  -6.231  10.457  14.457
  199   2H5*    G  19          2H5*        G  19  -5.628  11.802  15.447
  200    H4*    G  19           H4*        G  19  -3.936  11.363  13.839
  201    H3*    G  19           H3*        G  19  -5.595  13.783  13.149
  202    H2*    G  19           H2*        G  19  -4.543  14.021  11.089
  203   2HO*    G  19          2HO*        G  19  -2.399  12.355  11.920
  204    H1*    G  19           H1*        G  19  -3.886  11.318  10.622
  205    H8     G  19           H8         G  19  -7.515  12.382  11.434
  206    H1     G  19           H1         G  19  -6.137  11.980   5.195
  207   1H2     G  19          1H2         G  19  -3.972  11.575   4.918
  208   2H2     G  19          2H2         G  19  -2.870  11.404   6.267
  209   1H5*    G  20          1H5*        G  20  -4.771  17.891  13.753
  210   2H5*    G  20          2H5*        G  20  -6.184  17.394  12.800
  211    H4*    G  20           H4*        G  20  -3.297  17.559  12.009
  212    H3*    G  20           H3*        G  20  -5.924  18.487  10.908
  213    H2*    G  20           H2*        G  20  -5.370  17.975   8.688
  214   2HO*    G  20          2HO*        G  20  -3.191  18.961   9.004
  215    H1*    G  20           H1*        G  20  -4.057  15.628   9.055
  216    H8     G  20           H8         G  20  -6.688  15.361  11.647
  217    H1     G  20           H1         G  20  -9.169  14.862   5.768
  218   1H2     G  20          1H2         G  20  -7.665  15.424   4.256
  219   2H2     G  20          2H2         G  20  -6.047  15.935   4.681
  220   1H5*    A  21          1H5*        A  21  -7.081  22.429  10.926
  221   2H5*    A  21          2H5*        A  21  -7.568  21.033   9.944
  222    H4*    A  21           H4*        A  21  -7.903  23.562   9.125
  223    H3*    A  21           H3*        A  21  -7.501  21.027   7.630
  224    H2*    A  21           H2*        A  21  -6.702  21.981   5.667
  225   2HO*    A  21          2HO*        A  21  -7.925  24.415   6.510
  226    H1*    A  21           H1*        A  21  -5.397  24.204   6.598
  227    H8     A  21           H8         A  21  -4.641  21.248   8.859
  228   1H6     A  21          1H6         A  21  -0.054  19.883   4.966
  229   2H6     A  21          2H6         A  21  -0.781  19.525   6.517
  230    H2     A  21           H2         A  21  -2.540  23.114   3.079
  231   1H5*    A  22          1H5*        A  22 -10.323  19.860   4.327
  232   2H5*    A  22          2H5*        A  22  -9.136  18.631   4.806
  233    H4*    A  22           H4*        A  22  -8.880  20.908   2.914
  234    H3*    A  22           H3*        A  22  -7.906  18.075   3.093
  235    H2*    A  22           H2*        A  22  -5.839  18.554   2.158
  236   2HO*    A  22          2HO*        A  22  -5.534  20.396   0.795
  237    H1*    A  22           H1*        A  22  -5.544  21.227   2.937
  238    H8     A  22           H8         A  22  -6.077  19.953   6.215
  239   1H6     A  22          1H6         A  22  -0.664  16.987   6.052
  240   2H6     A  22          2H6         A  22  -1.958  17.562   7.079
  241    H2     A  22           H2         A  22  -1.734  18.142   1.842
  242   1H5*    A  23          1H5*        A  23  -8.253  17.071  -2.176
  243   2H5*    A  23          2H5*        A  23  -8.206  15.636  -1.134
  244    H4*    A  23           H4*        A  23  -6.217  16.556  -2.925
  245    H3*    A  23           H3*        A  23  -6.496  14.277  -1.007
  246    H2*    A  23           H2*        A  23  -4.193  13.983  -0.724
  247   2HO*    A  23          2HO*        A  23  -3.175  13.948  -2.576
  248    H1*    A  23           H1*        A  23  -3.347  16.571  -0.774
  249    H8     A  23           H8         A  23  -6.701  16.152   1.035
  250   1H6     A  23          1H6         A  23  -3.356  15.355   6.170
  251   2H6     A  23          2H6         A  23  -4.972  15.578   5.531
  252    H2     A  23           H2         A  23  -0.530  15.433   2.664
  253   1H5*    C  24          1H5*        C  24  -4.456  12.333  -3.632
  254   2H5*    C  24          2H5*        C  24  -4.864  10.621  -3.862
  255    H4*    C  24           H4*        C  24  -2.829  11.024  -2.446
  256    H3*    C  24           H3*        C  24  -5.201   9.510  -1.355
  257    H2*    C  24           H2*        C  24  -4.176   9.311   0.742
  258   2HO*    C  24          2HO*        C  24  -1.823   9.615  -0.757
  259    H1*    C  24           H1*        C  24  -2.873  11.764   0.798
  260   1H4     C  24          1H4         C  24  -8.063  12.589   4.390
  261   2H4     C  24          2H4         C  24  -9.066  12.697   2.961
  262    H5     C  24           H5         C  24  -8.221  12.366   0.729
  263    H6     C  24           H6         C  24  -6.236  11.859  -0.615
  264   1H5*    U  25          1H5*        U  25  -2.248   7.793  -0.145
  265   2H5*    U  25          2H5*        U  25  -1.902   6.071  -0.395
  266    H4*    U  25           H4*        U  25  -1.758   6.495   1.956
  267    H3*    U  25           H3*        U  25  -4.281   5.046   1.147
  268    H2*    U  25           H2*        U  25  -5.076   5.116   3.342
  269   2HO*    U  25          2HO*        U  25  -2.689   5.871   4.558
  270    H1*    U  25           H1*        U  25  -3.793   7.499   4.156
  271    H3     U  25           H3         U  25  -8.155   8.396   4.964
  272    H5     U  25           H5         U  25  -7.859   8.421   0.759
  273    H6     U  25           H6         U  25  -5.575   7.635   0.980
  274   1H5*    U  26          1H5*        U  26  -2.571   3.621   4.298
  275   2H5*    U  26          2H5*        U  26  -1.906   1.977   4.369
  276    H4*    U  26           H4*        U  26  -2.920   2.133   6.439
  277    H3*    U  26           H3*        U  26  -4.970   1.011   4.525
  278    H2*    U  26           H2*        U  26  -6.611   1.088   6.183
  279   2HO*    U  26          2HO*        U  26  -4.535   1.344   8.118
  280    H1*    U  26           H1*        U  26  -5.728   3.364   7.537
  281    H3     U  26           H3         U  26  -9.702   4.907   6.106
  282    H5     U  26           H5         U  26  -7.668   4.031   2.524
  283    H6     U  26           H6         U  26  -5.842   3.147   3.850
  284   1H5*    G  27          1H5*        G  27  -5.095  -1.028   8.109
  285   2H5*    G  27          2H5*        G  27  -5.676  -2.702   8.011
  286    H4*    G  27           H4*        G  27  -7.127  -1.151   9.365
  287    H3*    G  27           H3*        G  27  -8.285  -2.577   6.957
  288    H2*    G  27           H2*        G  27 -10.331  -1.524   7.336
  289   2HO*    G  27          2HO*        G  27 -10.800  -2.045   9.390
  290    H1*    G  27           H1*        G  27  -9.303   0.809   8.593
  291    H8     G  27           H8         G  27  -8.081  -0.040   5.047
  292    H1     G  27           H1         G  27 -13.395   3.520   5.289
  293   1H2     G  27          1H2         G  27 -14.112   3.659   7.387
  294   2H2     G  27          2H2         G  27 -13.280   2.882   8.716
  295   1H5*    G  28          1H5*        G  28 -10.840  -4.025  10.505
  296   2H5*    G  28          2H5*        G  28 -10.558  -5.774  10.421
  297    H4*    G  28           H4*        G  28 -12.854  -5.702  10.685
  298    H3*    G  28           H3*        G  28 -12.240  -5.776   7.739
  299    H2*    G  28           H2*        G  28 -14.490  -5.409   7.165
  300   2HO*    G  28          2HO*        G  28 -15.985  -5.407   9.226
  301    H1*    G  28           H1*        G  28 -15.139  -3.588   9.097
  302    H8     G  28           H8         G  28 -11.597  -3.287   7.604
  303    H1     G  28           H1         G  28 -16.082   0.047   4.481
  304   1H2     G  28          1H2         G  28 -18.083  -0.372   5.354
  305   2H2     G  28          2H2         G  28 -18.316  -1.494   6.676
  306   1H5*    U  29          1H5*        U  29 -15.794  -7.825   8.047
  307   2H5*    U  29          2H5*        U  29 -15.629  -9.408   7.260
  308    H4*    U  29           H4*        U  29 -17.554  -8.152   6.377
  309    H3*    U  29           H3*        U  29 -15.252  -8.664   4.484
  310    H2*    U  29           H2*        U  29 -16.331  -7.461   2.808
  311   2HO*    U  29          2HO*        U  29 -18.832  -7.122   3.716
  312    H1*    U  29           H1*        U  29 -17.805  -5.705   4.476
  313    H3     U  29           H3         U  29 -15.559  -2.872   1.754
  314    H5     U  29           H5         U  29 -12.543  -4.589   4.148
  315    H6     U  29           H6         U  29 -14.221  -6.066   5.088
  316   1H5*    U  30          1H5*        U  30 -19.282  -9.814   2.869
  317   2H5*    U  30          2H5*        U  30 -19.098 -11.276   1.880
  318    H4*    U  30           H4*        U  30 -20.386  -9.493   0.732
  319    H3*    U  30           H3*        U  30 -17.738 -10.334  -0.468
  320    H2*    U  30           H2*        U  30 -18.047  -8.785  -2.210
  321   2HO*    U  30          2HO*        U  30 -20.606  -7.962  -1.632
  322    H1*    U  30           H1*        U  30 -19.264  -6.785  -0.716
  323    H3     U  30           H3         U  30 -15.367  -4.851  -1.932
  324    H5     U  30           H5         U  30 -14.217  -7.744   0.909
  325    H6     U  30           H6         U  30 -16.508  -8.546   0.922
  326   1H5*    C  31          1H5*        C  31 -20.431 -10.395  -3.697
  327   2H5*    C  31          2H5*        C  31 -19.985 -11.672  -4.846
  328    H4*    C  31           H4*        C  31 -19.895  -9.332  -5.774
  329    H3*    C  31           H3*        C  31 -17.403 -11.051  -5.771
  330    H2*    C  31           H2*        C  31 -16.204  -9.299  -6.743
  331   2HO*    C  31          2HO*        C  31 -18.641  -8.044  -7.500
  332    H1*    C  31           H1*        C  31 -17.697  -7.168  -5.630
  333   1H4     C  31          1H4         C  31 -12.041  -6.894  -2.746
  334   2H4     C  31          2H4         C  31 -12.412  -8.327  -1.814
  335    H5     C  31           H5         C  31 -14.433  -9.607  -2.108
  336    H6     C  31           H6         C  31 -16.520  -9.805  -3.380
  337   1H5*    U  32          1H5*        U  32 -17.832 -10.138 -10.145
  338   2H5*    U  32          2H5*        U  32 -17.662 -11.726 -10.919
  339    H4*    U  32           H4*        U  32 -16.098 -10.175 -11.928
  340    H3*    U  32           H3*        U  32 -14.891 -12.325 -10.193
  341    H2*    U  32           H2*        U  32 -12.744 -11.429 -10.448
  342   2HO*    U  32          2HO*        U  32 -13.828 -10.185 -12.755
  343    H1*    U  32           H1*        U  32 -13.405  -8.740 -10.508
  344    H3     U  32           H3         U  32 -11.127  -8.956  -6.635
  345    H5     U  32           H5         U  32 -14.630 -11.146  -5.831
  346    H6     U  32           H6         U  32 -15.244 -10.889  -8.167
  347   1H5*    U  33          1H5*        U  33 -12.838 -11.565 -13.921
  348   2H5*    U  33          2H5*        U  33 -12.252 -13.050 -14.697
  349    H4*    U  33           H4*        U  33 -10.521 -11.249 -14.493
  350    H3*    U  33           H3*        U  33 -10.098 -13.949 -13.223
  351    H2*    U  33           H2*        U  33  -8.158 -13.251 -12.160
  352   2HO*    U  33          2HO*        U  33  -6.920 -12.598 -13.817
  353    H1*    U  33           H1*        U  33  -8.716 -10.469 -12.018
  354    H3     U  33           H3         U  33  -7.811 -11.352  -7.691
  355    H5     U  33           H5         U  33 -11.347 -13.523  -8.433
  356    H6     U  33           H6         U  33 -11.157 -12.906 -10.773
  357   1H5*    C  34          1H5*        C  34  -5.753 -15.734 -14.242
  358   2H5*    C  34          2H5*        C  34  -6.878 -15.213 -12.969
  359    H4*    C  34           H4*        C  34  -4.629 -13.379 -13.718
  360    H3*    C  34           H3*        C  34  -4.260 -16.019 -12.331
  361    H2*    C  34           H2*        C  34  -3.134 -15.075 -10.533
  362   2HO*    C  34          2HO*        C  34  -2.357 -13.187 -12.458
  363    H1*    C  34           H1*        C  34  -4.286 -12.518 -10.533
  364   1H4     C  34          1H4         C  34  -6.585 -15.803  -5.528
  365   2H4     C  34          2H4         C  34  -8.022 -16.118  -6.473
  366    H5     C  34           H5         C  34  -8.226 -15.537  -8.801
  367    H6     C  34           H6         C  34  -7.093 -14.542 -10.731
  368   1H5*    C  35          1H5*        C  35   0.560 -17.446 -12.767
  369   2H5*    C  35          2H5*        C  35  -0.621 -18.042 -11.584
  370    H4*    C  35           H4*        C  35   1.667 -16.120 -11.187
  371    H3*    C  35           H3*        C  35   0.864 -18.775 -10.071
  372    H2*    C  35           H2*        C  35   1.268 -18.192  -7.856
  373   2HO*    C  35          2HO*        C  35   3.110 -17.271  -7.481
  374    H1*    C  35           H1*        C  35   0.641 -15.503  -7.901
  375   1H4     C  35          1H4         C  35  -4.405 -18.596  -5.456
  376   2H4     C  35          2H4         C  35  -5.146 -18.545  -7.039
  377    H5     C  35           H5         C  35  -4.000 -17.769  -9.008
  378    H6     C  35           H6         C  35  -1.899 -16.870  -9.889
  379   1H5*    U  36          1H5*        U  36   5.435 -20.557 -10.199
  380   2H5*    U  36          2H5*        U  36   4.641 -22.131  -9.998
  381    H4*    U  36           H4*        U  36   6.022 -20.698  -8.044
  382    H3*    U  36           H3*        U  36   4.223 -23.098  -8.020
  383    H2*    U  36           H2*        U  36   3.745 -22.915  -5.755
  384   2HO*    U  36          2HO*        U  36   6.097 -22.811  -5.310
  385    H1*    U  36           H1*        U  36   4.015 -20.150  -5.417
  386    H3     U  36           H3         U  36  -0.224 -21.445  -4.184
  387    H5     U  36           H5         U  36  -0.360 -20.805  -8.348
  388    H6     U  36           H6         U  36   2.059 -20.618  -8.332
  389   1H5*    A  37          1H5*        A  37   7.430 -26.264  -4.968
  390   2H5*    A  37          2H5*        A  37   5.980 -26.910  -5.763
  391    H4*    A  37           H4*        A  37   6.371 -25.956  -2.971
  392    H3*    A  37           H3*        A  37   5.652 -28.390  -4.036
  393    H2*    A  37           H2*        A  37   3.518 -27.885  -4.844
  394   2HO*    A  37          2HO*        A  37   3.421 -28.638  -2.206
  395    H1*    A  37           H1*        A  37   2.838 -25.916  -2.713
  396    H8     A  37           H8         A  37   3.752 -25.538  -6.478
  397   1H6     A  37          1H6         A  37  -2.085 -23.636  -7.158
  398   2H6     A  37          2H6         A  37  -0.556 -23.900  -7.965
  399    H2     A  37           H2         A  37  -1.512 -24.830  -2.863
  400   1H5*    A  38          1H5*        A  38   7.610 -27.992   1.018
  401   2H5*    A  38          2H5*        A  38   7.682 -29.751   1.250
  402    H4*    A  38           H4*        A  38   6.794 -28.827   3.262
  403    H3*    A  38           H3*        A  38   4.784 -30.212   1.517
  404    H2*    A  38           H2*        A  38   2.959 -29.458   2.744
  405   2HO*    A  38          2HO*        A  38   3.026 -29.561   4.837
  406    H1*    A  38           H1*        A  38   3.943 -27.016   3.650
  407    H8     A  38           H8         A  38   4.626 -27.181  -0.031
  408   1H6     A  38          1H6         A  38  -1.222 -25.406  -0.932
  409   2H6     A  38          2H6         A  38   0.337 -25.662  -1.685
  410    H2     A  38           H2         A  38  -0.754 -26.469   3.410
  411   1H5*    G  39          1H5*        G  39   2.454 -33.470   4.251
  412   2H5*    G  39          2H5*        G  39   1.826 -33.214   2.610
  413    H4*    G  39           H4*        G  39   0.938 -32.067   5.204
  414    H3*    G  39           H3*        G  39  -0.344 -33.069   2.693
  415    H2*    G  39           H2*        G  39  -2.004 -31.429   2.656
  416   2HO*    G  39          2HO*        G  39  -2.959 -31.201   4.520
  417    H1*    G  39           H1*        G  39  -0.618 -29.279   3.611
  418    H8     G  39           H8         G  39   1.900 -30.828   1.391
  419    H1     G  39           H1         G  39  -2.805 -28.066  -1.959
  420   1H2     G  39          1H2         G  39  -4.513 -27.593  -0.622
  421   2H2     G  39          2H2         G  39  -4.494 -27.954   1.090
  422   1H5*    U  40          1H5*        U  40  -3.970 -33.484   5.333
  423   2H5*    U  40          2H5*        U  40  -4.516 -35.125   4.932
  424    H4*    U  40           H4*        U  40  -6.216 -33.318   4.513
  425    H3*    U  40           H3*        U  40  -5.302 -35.184   2.335
  426    H2*    U  40           H2*        U  40  -6.526 -34.029   0.696
  427   2HO*    U  40          2HO*        U  40  -8.240 -33.669   2.675
  428    H1*    U  40           H1*        U  40  -6.100 -31.469   1.555
  429    H3     U  40           H3         U  40  -3.682 -32.021  -2.293
  430    H5     U  40           H5         U  40  -1.259 -33.601   0.772
  431    H6     U  40           H6         U  40  -3.132 -33.350   2.294
  432   1H5*    C  41          1H5*        C  41  -9.679 -35.505   2.179
  433   2H5*    C  41          2H5*        C  41 -10.126 -37.204   1.923
  434    H4*    C  41           H4*        C  41 -11.023 -35.710   0.162
  435    H3*    C  41           H3*        C  41  -9.042 -37.855  -0.596
  436    H2*    C  41           H2*        C  41  -9.054 -37.140  -2.845
  437   2HO*    C  41          2HO*        C  41 -10.684 -36.026  -3.746
  438    H1*    C  41           H1*        C  41  -9.047 -34.449  -2.400
  439   1H4     C  41          1H4         C  41  -2.881 -35.984  -2.876
  440   2H4     C  41          2H4         C  41  -2.880 -36.585  -1.233
  441    H5     C  41           H5         C  41  -4.861 -36.701   0.131
  442    H6     C  41           H6         C  41  -7.274 -36.280   0.212
  443   1H5*    C  42          1H5*        C  42 -11.493 -37.769  -3.231
  444   2H5*    C  42          2H5*        C  42 -12.363 -39.168  -3.892
  445    H4*    C  42           H4*        C  42 -11.181 -38.119  -5.699
  446    H3*    C  42           H3*        C  42  -9.907 -40.692  -4.749
  447    H2*    C  42           H2*        C  42  -8.178 -40.432  -6.299
  448   2HO*    C  42          2HO*        C  42  -8.384 -39.116  -8.143
  449    H1*    C  42           H1*        C  42  -8.073 -37.630  -6.301
  450   1H4     C  42          1H4         C  42  -2.941 -39.547  -3.065
  451   2H4     C  42          2H4         C  42  -3.927 -39.910  -1.666
  452    H5     C  42           H5         C  42  -6.331 -39.727  -1.664
  453    H6     C  42           H6         C  42  -8.307 -39.182  -3.008
  454   1H5*    U  43          1H5*        U  43  -9.970 -40.271  -8.806
  455   2H5*    U  43          2H5*        U  43 -10.591 -41.668  -9.707
  456    H4*    U  43           H4*        U  43  -8.497 -40.860 -10.684
  457    H3*    U  43           H3*        U  43  -8.442 -43.565  -9.361
  458    H2*    U  43           H2*        U  43  -6.157 -43.786  -9.732
  459   2HO*    U  43          2HO*        U  43  -6.757 -42.479 -12.005
  460    H1*    U  43           H1*        U  43  -5.442 -41.092  -9.534
  461    H3     U  43           H3         U  43  -3.114 -42.846  -6.085
  462    H5     U  43           H5         U  43  -7.132 -43.217  -4.877
  463    H6     U  43           H6         U  43  -7.800 -42.438  -7.075
  464    H3T    U  43           H3T        U  43  -8.665 -42.452 -11.928
  465   1H5*    G  44          1H5*        G  44  -7.986  45.566   1.880
  466   2H5*    G  44          2H5*        G  44  -8.591  43.905   1.722
  467    H4*    G  44           H4*        G  44  -8.172  44.583  -0.489
  468    H3*    G  44           H3*        G  44  -6.042  42.814   0.626
  469    H2*    G  44           H2*        G  44  -4.485  43.252  -1.059
  470   2HO*    G  44          2HO*        G  44  -5.182  44.292  -3.057
  471    H1*    G  44           H1*        G  44  -4.954  45.891  -1.522
  472    H8     G  44           H8         G  44  -5.336  45.553   2.182
  473    H1     G  44           H1         G  44   0.797  45.339   0.351
  474   1H2     G  44          1H2         G  44   0.924  45.139  -1.855
  475   2H2     G  44          2H2         G  44  -0.495  45.053  -2.875
  476    H5T    G  44           H5T        G  44  -6.958  43.241   2.827
  477   1H5*    G  45          1H5*        G  45  -5.591  42.058  -2.928
  478   2H5*    G  45          2H5*        G  45  -5.900  40.400  -3.476
  479    H4*    G  45           H4*        G  45  -3.687  41.075  -4.194
  480    H3*    G  45           H3*        G  45  -3.763  39.017  -1.987
  481    H2*    G  45           H2*        G  45  -1.450  39.082  -1.766
  482   2HO*    G  45          2HO*        G  45  -0.174  39.993  -3.612
  483    H1*    G  45           H1*        G  45  -1.021  41.727  -2.716
  484    H8     G  45           H8         G  45  -3.373  41.584   0.245
  485    H1     G  45           H1         G  45   2.822  41.499   1.876
  486   1H2     G  45          1H2         G  45   4.072  41.190   0.071
  487   2H2     G  45          2H2         G  45   3.388  41.016  -1.529
  488   1H5*    G  46          1H5*        G  46  -1.335  38.332  -5.202
  489   2H5*    G  46          2H5*        G  46  -1.283  36.761  -6.029
  490    H4*    G  46           H4*        G  46   0.978  37.562  -5.707
  491    H3*    G  46           H3*        G  46   0.168  35.214  -3.993
  492    H2*    G  46           H2*        G  46   2.228  35.234  -2.884
  493   2HO*    G  46          2HO*        G  46   4.028  36.467  -3.789
  494    H1*    G  46           H1*        G  46   2.682  37.981  -2.895
  495    H8     G  46           H8         G  46  -0.858  36.970  -1.842
  496    H1     G  46           H1         G  46   3.411  36.963   2.929
  497   1H2     G  46          1H2         G  46   5.458  37.268   2.110
  498   2H2     G  46          2H2         G  46   5.765  37.470   0.401
  499   1H5*    A  47          1H5*        A  47   3.692  34.831  -5.191
  500   2H5*    A  47          2H5*        A  47   4.201  33.536  -6.294
  501    H4*    A  47           H4*        A  47   5.908  33.638  -4.677
  502    H3*    A  47           H3*        A  47   3.974  31.403  -4.086
  503    H2*    A  47           H2*        A  47   5.005  30.938  -2.046
  504   2HO*    A  47          2HO*        A  47   7.148  31.425  -1.621
  505    H1*    A  47           H1*        A  47   5.873  33.516  -1.392
  506    H8     A  47           H8         A  47   2.199  33.076  -2.464
  507   1H6     A  47          1H6         A  47   0.988  32.434   3.557
  508   2H6     A  47          2H6         A  47   0.295  32.569   1.957
  509    H2     A  47           H2         A  47   5.451  32.615   3.059
  510   1H5*    U  48          1H5*        U  48   7.731  29.600  -3.291
  511   2H5*    U  48          2H5*        U  48   7.659  27.916  -3.847
  512    H4*    U  48           H4*        U  48   8.050  28.206  -1.372
  513    H3*    U  48           H3*        U  48   5.736  26.611  -2.450
  514    H2*    U  48           H2*        U  48   4.795  26.339  -0.346
  515   2HO*    U  48          2HO*        U  48   6.056  26.429   1.566
  516    H1*    U  48           H1*        U  48   5.800  28.666   0.901
  517    H3     U  48           H3         U  48   1.373  29.242   1.510
  518    H5     U  48           H5         U  48   1.849  29.546  -2.667
  519    H6     U  48           H6         U  48   4.179  28.930  -2.379
  520   1H5*    A  49          1H5*        A  49   8.591  23.149  -0.483
  521   2H5*    A  49          2H5*        A  49   6.868  23.517  -0.259
  522    H4*    A  49           H4*        A  49   8.498  22.976   2.183
  523    H3*    A  49           H3*        A  49   8.509  21.040   0.087
  524    H2*    A  49           H2*        A  49   6.383  20.178   0.399
  525   2HO*    A  49          2HO*        A  49   8.026  18.808   1.713
  526    H1*    A  49           H1*        A  49   6.233  21.014   3.275
  527    H8     A  49           H8         A  49   4.474  21.388  -0.187
  528   1H6     A  49          1H6         A  49  -0.764  20.747   3.027
  529   2H6     A  49          2H6         A  49  -0.072  20.933   1.432
  530    H2     A  49           H2         A  49   2.658  20.711   5.936
  531   1H5*    U  50          1H5*        U  50  10.428  19.903   5.602
  532   2H5*    U  50          2H5*        U  50  10.097  18.195   5.246
  533    H4*    U  50           H4*        U  50   9.273  18.547   7.435
  534    H3*    U  50           H3*        U  50   7.456  17.760   5.512
  535    H2*    U  50           H2*        U  50   6.433  19.850   5.137
  536   2HO*    U  50          2HO*        U  50   4.526  19.886   6.250
  537    H1*    U  50           H1*        U  50   6.621  20.614   8.038
  538    H3     U  50           H3         U  50   8.297  24.923   6.442
  539    H5     U  50           H5         U  50   4.689  23.750   4.602
  540    H6     U  50           H6         U  50   5.024  21.524   5.514
  541   1H5*    G  51          1H5*        G  51   3.753  18.650   7.769
  542   2H5*    G  51          2H5*        G  51   3.806  17.135   8.692
  543    H4*    G  51           H4*        G  51   1.580  17.222   8.041
  544    H3*    G  51           H3*        G  51   3.170  15.536   6.154
  545    H2*    G  51           H2*        G  51   1.536  15.475   4.505
  546   2HO*    G  51          2HO*        G  51  -0.179  14.727   5.671
  547    H1*    G  51           H1*        G  51   0.332  17.936   4.860
  548    H8     G  51           H8         G  51   4.049  18.462   4.921
  549    H1     G  51           H1         G  51   1.762  17.686  -1.006
  550   1H2     G  51          1H2         G  51  -0.340  16.995  -0.924
  551   2H2     G  51          2H2         G  51  -1.183  16.726   0.582
  552   1H5*    G  52          1H5*        G  52   1.913  11.313   5.375
  553   2H5*    G  52          2H5*        G  52   3.100  12.069   4.292
  554    H4*    G  52           H4*        G  52   0.114  11.833   3.986
  555    H3*    G  52           H3*        G  52   2.527  11.077   2.372
  556    H2*    G  52           H2*        G  52   1.567  11.747   0.346
  557   2HO*    G  52          2HO*        G  52  -0.385  10.880   0.225
  558    H1*    G  52           H1*        G  52   0.174  13.951   1.185
  559    H8     G  52           H8         G  52   3.247  14.526   3.062
  560    H1     G  52           H1         G  52   4.301  15.146  -3.225
  561   1H2     G  52          1H2         G  52   2.599  14.292  -4.361
  562   2H2     G  52          2H2         G  52   1.211  13.572  -3.581
  563   1H5*    A  53          1H5*        A  53  -0.227   7.910   0.723
  564   2H5*    A  53          2H5*        A  53   0.774   6.444   0.703
  565    H4*    A  53           H4*        A  53  -0.047   7.256  -1.557
  566    H3*    A  53           H3*        A  53   2.887   6.824  -0.983
  567    H2*    A  53           H2*        A  53   3.457   7.585  -3.121
  568   2HO*    A  53          2HO*        A  53   0.733   7.222  -3.878
  569    H1*    A  53           H1*        A  53   1.450   9.494  -3.425
  570    H8     A  53           H8         A  53   2.936  10.082  -0.053
  571   1H6     A  53          1H6         A  53   7.647  12.938  -2.857
  572   2H6     A  53          2H6         A  53   6.872  12.612  -1.321
  573    H2     A  53           H2         A  53   5.223  10.847  -6.008
  574   1H5*    A  54          1H5*        A  54   1.682   4.870  -4.740
  575   2H5*    A  54          2H5*        A  54   2.428   3.262  -4.837
  576    H4*    A  54           H4*        A  54   2.736   4.616  -6.902
  577    H3*    A  54           H3*        A  54   5.162   3.743  -5.329
  578    H2*    A  54           H2*        A  54   6.580   4.864  -6.840
  579   2HO*    A  54          2HO*        A  54   4.345   5.099  -8.594
  580    H1*    A  54           H1*        A  54   5.017   7.087  -7.270
  581    H8     A  54           H8         A  54   4.948   6.077  -3.601
  582   1H6     A  54          1H6         A  54  10.029   9.517  -2.925
  583   2H6     A  54          2H6         A  54   8.772   8.629  -2.095
  584    H2     A  54           H2         A  54   9.175   9.167  -7.326
  585   1H5*    G  55          1H5*        G  55   6.080   1.918  -9.149
  586   2H5*    G  55          2H5*        G  55   6.781   0.315  -8.852
  587    H4*    G  55           H4*        G  55   8.349   1.819 -10.030
  588    H3*    G  55           H3*        G  55   9.103   0.939  -7.233
  589    H2*    G  55           H2*        G  55  11.104   2.164  -7.406
  590   2HO*    G  55          2HO*        G  55  11.101   1.311  -9.856
  591    H1*    G  55           H1*        G  55  10.099   4.281  -8.915
  592    H8     G  55           H8         G  55   7.878   3.365  -5.953
  593    H1     G  55           H1         G  55  12.820   7.130  -4.432
  594   1H2     G  55          1H2         G  55  14.196   7.311  -6.165
  595   2H2     G  55          2H2         G  55  13.896   6.504  -7.686
  596   1H5*    A  56          1H5*        A  56  12.340   0.003  -9.813
  597   2H5*    A  56          2H5*        A  56  13.092  -1.558  -9.426
  598    H4*    A  56           H4*        A  56  14.717   0.319  -9.448
  599    H3*    A  56           H3*        A  56  14.246  -1.149  -6.847
  600    H2*    A  56           H2*        A  56  15.764   0.261  -5.760
  601   2HO*    A  56          2HO*        A  56  17.178  -0.038  -7.875
  602    H1*    A  56           H1*        A  56  15.284   2.580  -7.268
  603    H8     A  56           H8         A  56  12.125   0.912  -5.925
  604   1H6     A  56          1H6         A  56  12.954   4.307  -0.832
  605   2H6     A  56          2H6         A  56  11.873   3.226  -1.679
  606    H2     A  56           H2         A  56  16.591   4.798  -3.426
  607   1H5*    A  57          1H5*        A  57  18.376  -1.252  -7.385
  608   2H5*    A  57          2H5*        A  57  19.055  -2.881  -7.204
  609    H4*    A  57           H4*        A  57  20.272  -1.413  -5.747
  610    H3*    A  57           H3*        A  57  18.327  -3.214  -4.292
  611    H2*    A  57           H2*        A  57  18.862  -2.201  -2.267
  612   2HO*    A  57          2HO*        A  57  21.106  -0.794  -2.981
  613    H1*    A  57           H1*        A  57  19.562   0.350  -3.271
  614    H8     A  57           H8         A  57  16.107  -1.130  -4.110
  615   1H6     A  57          1H6         A  57  14.102   1.834   0.921
  616   2H6     A  57          2H6         A  57  13.634   0.884  -0.470
  617    H2     A  57           H2         A  57  18.573   2.280   0.744
  618   1H5*    C  58          1H5*        C  58  22.368  -3.447  -2.358
  619   2H5*    C  58          2H5*        C  58  22.668  -5.172  -2.069
  620    H4*    C  58           H4*        C  58  23.160  -3.959  -0.044
  621    H3*    C  58           H3*        C  58  20.576  -5.532   0.096
  622    H2*    C  58           H2*        C  58  20.263  -4.779   2.301
  623   2HO*    C  58          2HO*        C  58  22.269  -3.519   3.181
  624    H1*    C  58           H1*        C  58  21.342  -2.223   1.970
  625   1H4     C  58          1H4         C  58  15.050  -1.296   1.877
  626   2H4     C  58          2H4         C  58  14.917  -2.100   0.329
  627    H5     C  58           H5         C  58  16.788  -3.113  -0.799
  628    H6     C  58           H6         C  58  19.185  -3.613  -0.664
  629   1H5*    C  59          1H5*        C  59  22.198  -6.080   3.470
  630   2H5*    C  59          2H5*        C  59  22.171  -7.727   4.133
  631    H4*    C  59           H4*        C  59  20.970  -6.256   5.632
  632    H3*    C  59           H3*        C  59  19.203  -8.137   4.050
  633    H2*    C  59           H2*        C  59  17.311  -7.192   5.026
  634   2HO*    C  59          2HO*        C  59  18.524  -5.784   7.069
  635    H1*    C  59           H1*        C  59  18.396  -4.610   5.512
  636   1H4     C  59          1H4         C  59  13.911  -3.682   1.112
  637   2H4     C  59          2H4         C  59  14.835  -4.574  -0.079
  638    H5     C  59           H5         C  59  16.929  -5.667   0.419
  639    H6     C  59           H6         C  59  18.574  -6.158   2.171
  640   1H5*    G  60          1H5*        G  60  18.966  -8.439   8.807
  641   2H5*    G  60          2H5*        G  60  18.644 -10.162   9.085
  642    H4*    G  60           H4*        G  60  17.273  -8.728  10.547
  643    H3*    G  60           H3*        G  60  15.837 -10.383   8.466
  644    H2*    G  60           H2*        G  60  13.779  -9.488   9.136
  645   2HO*    G  60          2HO*        G  60  14.523  -8.102  11.371
  646    H1*    G  60           H1*        G  60  14.655  -6.925   9.794
  647    H8     G  60           H8         G  60  15.982  -8.154   6.448
  648    H1     G  60           H1         G  60  10.124  -5.595   6.113
  649   1H2     G  60          1H2         G  60   9.335  -5.236   8.159
  650   2H2     G  60          2H2         G  60  10.247  -5.626   9.599
  651   1H5*    G  61          1H5*        G  61  13.545 -10.174  11.636
  652   2H5*    G  61          2H5*        G  61  13.454 -11.735  12.474
  653    H4*    G  61           H4*        G  61  11.247 -10.923  12.512
  654    H3*    G  61           H3*        G  61  11.615 -12.906  10.268
  655    H2*    G  61           H2*        G  61   9.470 -12.494   9.465
  656   2HO*    G  61          2HO*        G  61   8.401 -11.097  11.571
  657    H1*    G  61           H1*        G  61   9.198  -9.821  10.336
  658    H8     G  61           H8         G  61  12.257 -10.743   8.197
  659    H1     G  61           H1         G  61   7.133  -8.901   4.840
  660   1H2     G  61          1H2         G  61   5.388  -8.650   6.189
  661   2H2     G  61          2H2         G  61   5.484  -8.940   7.911
  662   1H5*    G  62          1H5*        G  62   7.832 -13.378  12.103
  663   2H5*    G  62          2H5*        G  62   7.555 -15.084  12.513
  664    H4*    G  62           H4*        G  62   5.637 -14.125  11.309
  665    H3*    G  62           H3*        G  62   7.218 -16.300   9.940
  666    H2*    G  62           H2*        G  62   5.974 -16.077   7.988
  667   2HO*    G  62          2HO*        G  62   3.880 -14.567   8.983
  668    H1*    G  62           H1*        G  62   5.252 -13.352   8.253
  669    H8     G  62           H8         G  62   8.973 -14.333   8.376
  670    H1     G  62           H1         G  62   6.774 -12.898   2.537
  671   1H2     G  62          1H2         G  62   4.573 -12.622   2.601
  672   2H2     G  62          2H2         G  62   3.649 -12.790   4.076
  673   1H5*    G  63          1H5*        G  63   5.805 -20.376   9.209
  674   2H5*    G  63          2H5*        G  63   7.260 -19.824   8.354
  675    H4*    G  63           H4*        G  63   4.377 -19.471   7.665
  676    H3*    G  63           H3*        G  63   6.913 -20.164   6.216
  677    H2*    G  63           H2*        G  63   6.314 -18.976   4.289
  678   2HO*    G  63          2HO*        G  63   3.977 -19.908   4.706
  679    H1*    G  63           H1*        G  63   5.092 -16.816   5.424
  680    H8     G  63           H8         G  63   7.872 -17.170   7.779
  681    H1     G  63           H1         G  63  10.014 -15.432   2.001
  682   1H2     G  63          1H2         G  63   8.420 -15.676   0.499
  683   2H2     G  63          2H2         G  63   6.829 -16.278   0.906
  684   1H5*    A  64          1H5*        A  64   7.431 -24.433   4.981
  685   2H5*    A  64          2H5*        A  64   8.624 -23.224   5.496
  686    H4*    A  64           H4*        A  64   9.542 -23.772   3.480
  687    H3*    A  64           H3*        A  64   7.714 -21.488   3.102
  688    H2*    A  64           H2*        A  64   7.225 -21.803   0.861
  689   2HO*    A  64          2HO*        A  64   8.922 -23.466  -0.181
  690    H1*    A  64           H1*        A  64   7.428 -24.511   0.555
  691    H8     A  64           H8         A  64   5.628 -24.001   3.801
  692   1H6     A  64          1H6         A  64   0.459 -23.193   0.537
  693   2H6     A  64          2H6         A  64   1.132 -23.444   2.132
  694    H2     A  64           H2         A  64   3.920 -23.138  -2.331
  695   1H5*    A  65          1H5*        A  65  10.933 -19.174   0.666
  696   2H5*    A  65          2H5*        A  65   9.882 -17.747   0.540
  697    H4*    A  65           H4*        A  65  10.062 -19.867  -1.274
  698    H3*    A  65           H3*        A  65   8.262 -17.505  -0.933
  699    H2*    A  65           H2*        A  65   6.481 -18.428  -2.124
  700   2HO*    A  65          2HO*        A  65   6.973 -19.330  -3.950
  701    H1*    A  65           H1*        A  65   6.704 -21.062  -1.427
  702    H8     A  65           H8         A  65   7.284 -19.717   1.883
  703   1H6     A  65          1H6         A  65   1.297 -18.252   2.262
  704   2H6     A  65          2H6         A  65   2.781 -18.480   3.158
  705    H2     A  65           H2         A  65   2.252 -19.063  -2.057
  706   1H5*    A  66          1H5*        A  66   8.091 -16.046  -5.951
  707   2H5*    A  66          2H5*        A  66   7.935 -14.660  -4.853
  708    H4*    A  66           H4*        A  66   5.931 -15.738  -6.453
  709    H3*    A  66           H3*        A  66   5.996 -13.763  -4.204
  710    H2*    A  66           H2*        A  66   3.719 -13.998  -3.698
  711   2HO*    A  66          2HO*        A  66   2.953 -13.771  -5.833
  712    H1*    A  66           H1*        A  66   3.404 -16.667  -4.085
  713    H8     A  66           H8         A  66   6.818 -15.960  -2.549
  714   1H6     A  66          1H6         A  66   4.000 -16.286   2.940
  715   2H6     A  66          2H6         A  66   5.548 -16.218   2.122
  716    H2     A  66           H2         A  66   0.825 -16.301  -0.261
  717   1H5*    C  67          1H5*        C  67   3.312 -11.974  -5.775
  718   2H5*    C  67          2H5*        C  67   3.407 -10.203  -5.839
  719    H4*    C  67           H4*        C  67   1.863 -11.070  -4.074
  720    H3*    C  67           H3*        C  67   4.245  -9.385  -3.292
  721    H2*    C  67           H2*        C  67   3.709  -9.616  -1.028
  722   2HO*    C  67          2HO*        C  67   1.220 -10.777  -1.270
  723    H1*    C  67           H1*        C  67   2.608 -12.191  -1.138
  724   1H4     C  67          1H4         C  67   8.327 -13.011   1.515
  725   2H4     C  67          2H4         C  67   9.121 -12.672  -0.008
  726    H5     C  67           H5         C  67   7.931 -12.020  -2.000
  727    H6     C  67           H6         C  67   5.727 -11.553  -2.963
  728   1H5*    U  68          1H5*        U  68   1.491  -8.268  -1.131
  729   2H5*    U  68          2H5*        U  68   0.873  -6.608  -1.222
  730    H4*    U  68           H4*        U  68   1.196  -6.964   1.072
  731    H3*    U  68           H3*        U  68   3.609  -5.535  -0.067
  732    H2*    U  68           H2*        U  68   4.632  -5.584   2.050
  733   2HO*    U  68          2HO*        U  68   2.884  -6.481   3.772
  734    H1*    U  68           H1*        U  68   3.607  -8.049   2.896
  735    H3     U  68           H3         U  68   8.018  -8.956   2.827
  736    H5     U  68           H5         U  68   7.054  -8.437  -1.243
  737    H6     U  68           H6         U  68   4.820  -7.782  -0.563
  738   1H5*    U  69          1H5*        U  69   2.262  -4.273   3.264
  739   2H5*    U  69          2H5*        U  69   1.871  -2.590   3.672
  740    H4*    U  69           H4*        U  69   3.143  -3.433   5.494
  741    H3*    U  69           H3*        U  69   4.849  -1.738   3.656
  742    H2*    U  69           H2*        U  69   6.701  -2.154   5.015
  743   2HO*    U  69          2HO*        U  69   5.710  -3.346   7.193
  744    H1*    U  69           H1*        U  69   5.956  -4.729   5.888
  745    H3     U  69           H3         U  69   9.914  -5.632   3.926
  746    H5     U  69           H5         U  69   7.523  -4.281   0.733
  747    H6     U  69           H6         U  69   5.778  -3.775   2.337
  748   1H5*    G  70          1H5*        G  70   5.425  -0.972   7.372
  749   2H5*    G  70          2H5*        G  70   5.750   0.663   7.983
  750    H4*    G  70           H4*        G  70   7.596  -0.802   8.558
  751    H3*    G  70           H3*        G  70   8.238   1.211   6.386
  752    H2*    G  70           H2*        G  70  10.397   0.341   6.261
  753   2HO*    G  70          2HO*        G  70  11.256  -0.919   8.067
  754    H1*    G  70           H1*        G  70   9.754  -2.292   7.142
  755    H8     G  70           H8         G  70   8.091  -0.840   3.974
  756    H1     G  70           H1         G  70  13.547  -4.044   2.997
  757   1H2     G  70          1H2         G  70  14.462  -4.579   4.947
  758   2H2     G  70          2H2         G  70  13.729  -4.145   6.475
  759   1H5*    G  71          1H5*        G  71  11.059   1.555  10.212
  760   2H5*    G  71          2H5*        G  71  10.824   3.285  10.532
  761    H4*    G  71           H4*        G  71  13.079   3.127  10.927
  762    H3*    G  71           H3*        G  71  12.726   3.755   8.012
  763    H2*    G  71           H2*        G  71  14.981   3.341   7.511
  764   2HO*    G  71          2HO*        G  71  15.322   4.121  10.113
  765    H1*    G  71           H1*        G  71  15.408   1.165   9.087
  766    H8     G  71           H8         G  71  11.880   1.036   7.695
  767    H1     G  71           H1         G  71  16.313  -1.006   3.551
  768   1H2     G  71          1H2         G  71  18.343  -0.618   4.365
  769   2H2     G  71          2H2         G  71  18.604   0.160   5.910
  770   1H5*    U  72          1H5*        U  72  16.263   6.170   9.182
  771   2H5*    U  72          2H5*        U  72  15.877   7.811   8.627
  772    H4*    U  72           H4*        U  72  18.098   7.069   7.847
  773    H3*    U  72           H3*        U  72  15.957   7.585   5.780
  774    H2*    U  72           H2*        U  72  17.409   6.933   4.055
  775   2HO*    U  72          2HO*        U  72  19.724   6.635   5.519
  776    H1*    U  72           H1*        U  72  18.712   4.884   5.373
  777    H3     U  72           H3         U  72  16.343   2.804   2.106
  778    H5     U  72           H5         U  72  13.452   3.832   5.001
  779    H6     U  72           H6         U  72  15.172   5.071   6.181
  780   1H5*    U  73          1H5*        U  73  19.451   9.241   4.443
  781   2H5*    U  73          2H5*        U  73  19.306  10.956   4.009
  782    H4*    U  73           H4*        U  73  20.423   9.799   2.211
  783    H3*    U  73           H3*        U  73  17.558  10.538   1.557
  784    H2*    U  73           H2*        U  73  17.860   9.623  -0.592
  785   2HO*    U  73          2HO*        U  73  20.510  10.255  -0.091
  786    H1*    U  73           H1*        U  73  19.457   7.480   0.167
  787    H3     U  73           H3         U  73  15.674   5.497  -1.340
  788    H5     U  73           H5         U  73  14.541   7.198   2.348
  789    H6     U  73           H6         U  73  16.721   8.256   2.456
  790   1H5*    C  74          1H5*        C  74  19.938  11.168  -1.581
  791   2H5*    C  74          2H5*        C  74  19.761  12.764  -2.334
  792    H4*    C  74           H4*        C  74  19.600  11.088  -4.057
  793    H3*    C  74           H3*        C  74  16.895  12.282  -3.361
  794    H2*    C  74           H2*        C  74  15.975  10.978  -5.109
  795   2HO*    C  74          2HO*        C  74  18.666  10.703  -5.986
  796    H1*    C  74           H1*        C  74  17.519   8.714  -4.649
  797   1H4     C  74          1H4         C  74  11.981   7.457  -1.790
  798   2H4     C  74          2H4         C  74  12.307   8.644  -0.547
  799    H5     C  74           H5         C  74  14.272  10.040  -0.536
  800    H6     C  74           H6         C  74  16.320  10.634  -1.744
  801   1H5*    U  75          1H5*        U  75  17.701  13.185  -7.194
  802   2H5*    U  75          2H5*        U  75  16.935  14.536  -8.054
  803    H4*    U  75           H4*        U  75  16.084  12.308  -8.768
  804    H3*    U  75           H3*        U  75  14.142  14.220  -7.444
  805    H2*    U  75           H2*        U  75  12.446  12.637  -7.709
  806   2HO*    U  75          2HO*        U  75  13.862  11.006  -9.492
  807    H1*    U  75           H1*        U  75  14.109  10.336  -7.593
  808    H3     U  75           H3         U  75  10.890   9.623  -4.477
  809    H5     U  75           H5         U  75  13.440  12.489  -2.732
  810    H6     U  75           H6         U  75  14.592  12.662  -4.860
  811   1H5*    U  76          1H5*        U  76  12.601  13.448 -11.430
  812   2H5*    U  76          2H5*        U  76  11.853  14.896 -12.132
  813    H4*    U  76           H4*        U  76  10.316  12.944 -12.070
  814    H3*    U  76           H3*        U  76   9.610  15.414 -10.481
  815    H2*    U  76           H2*        U  76   7.740  14.368  -9.579
  816   2HO*    U  76          2HO*        U  76   6.824  13.829 -11.597
  817    H1*    U  76           H1*        U  76   8.655  11.686  -9.734
  818    H3     U  76           H3         U  76   7.496  12.123  -5.372
  819    H5     U  76           H5         U  76  10.968  14.475  -5.763
  820    H6     U  76           H6         U  76  10.876  14.101  -8.159
  821   1H5*    C  77          1H5*        C  77   5.033  16.539 -12.595
  822   2H5*    C  77          2H5*        C  77   5.454  17.319 -11.056
  823    H4*    C  77           H4*        C  77   3.748  14.914 -11.585
  824    H3*    C  77           H3*        C  77   3.558  17.413  -9.923
  825    H2*    C  77           H2*        C  77   2.548  16.316  -8.151
  826   2HO*    C  77          2HO*        C  77   1.625  14.479 -10.114
  827    H1*    C  77           H1*        C  77   3.526  13.699  -8.603
  828   1H4     C  77          1H4         C  77   6.144  15.864  -3.186
  829   2H4     C  77          2H4         C  77   7.492  16.474  -4.119
  830    H5     C  77           H5         C  77   7.549  16.454  -6.527
  831    H6     C  77           H6         C  77   6.324  15.846  -8.562
  832   1H5*    C  78          1H5*        C  78  -0.496  19.165  -9.215
  833   2H5*    C  78          2H5*        C  78   0.706  19.409  -7.930
  834    H4*    C  78           H4*        C  78  -1.577  17.440  -8.051
  835    H3*    C  78           H3*        C  78  -0.788  19.710  -6.273
  836    H2*    C  78           H2*        C  78  -1.169  18.552  -4.287
  837   2HO*    C  78          2HO*        C  78  -3.141  17.732  -4.399
  838    H1*    C  78           H1*        C  78  -0.443  16.007  -5.024
  839   1H4     C  78          1H4         C  78   4.584  18.649  -2.053
  840   2H4     C  78          2H4         C  78   5.277  18.973  -3.625
  841    H5     C  78           H5         C  78   4.096  18.613  -5.688
  842    H6     C  78           H6         C  78   1.992  17.867  -6.698
  843   1H5*    U  79          1H5*        U  79  -4.987  21.997  -5.835
  844   2H5*    U  79          2H5*        U  79  -3.843  23.230  -5.268
  845    H4*    U  79           H4*        U  79  -5.444  21.399  -3.735
  846    H3*    U  79           H3*        U  79  -3.636  23.726  -3.146
  847    H2*    U  79           H2*        U  79  -3.191  23.010  -0.975
  848   2HO*    U  79          2HO*        U  79  -4.705  22.184   0.248
  849    H1*    U  79           H1*        U  79  -3.348  20.256  -1.335
  850    H3     U  79           H3         U  79   0.886  21.470   0.048
  851    H5     U  79           H5         U  79   0.894  21.709  -4.161
  852    H6     U  79           H6         U  79  -1.515  21.416  -4.117
  853   1H5*    A  80          1H5*        A  80  -5.511  26.753   0.036
  854   2H5*    A  80          2H5*        A  80  -3.831  26.921  -0.512
  855    H4*    A  80           H4*        A  80  -4.871  25.430   1.910
  856    H3*    A  80           H3*        A  80  -3.997  28.021   1.789
  857    H2*    A  80           H2*        A  80  -1.794  27.717   1.073
  858   2HO*    A  80          2HO*        A  80  -0.916  28.357   2.866
  859    H1*    A  80           H1*        A  80  -1.313  25.144   2.478
  860    H8     A  80           H8         A  80  -2.059  25.849  -1.264
  861   1H6     A  80          1H6         A  80   3.879  24.417  -2.191
  862   2H6     A  80          2H6         A  80   2.363  24.836  -2.959
  863    H2     A  80           H2         A  80   3.122  24.375   2.238
  864   1H5*    A  81          1H5*        A  81  -6.951  26.899   6.820
  865   2H5*    A  81          2H5*        A  81  -5.812  28.255   6.687
  866    H4*    A  81           H4*        A  81  -5.825  26.384   8.699
  867    H3*    A  81           H3*        A  81  -3.751  28.296   7.682
  868    H2*    A  81           H2*        A  81  -1.985  27.177   8.683
  869   2HO*    A  81          2HO*        A  81  -2.901  25.492  10.434
  870    H1*    A  81           H1*        A  81  -3.015  24.569   8.745
  871    H8     A  81           H8         A  81  -3.331  25.731   5.223
  872   1H6     A  81          1H6         A  81   2.653  24.398   4.472
  873   2H6     A  81          2H6         A  81   1.158  24.811   3.662
  874    H2     A  81           H2         A  81   1.746  24.247   8.872
  875   1H5*    G  82          1H5*        G  82  -1.646  30.452  11.681
  876   2H5*    G  82          2H5*        G  82  -1.211  30.781   9.992
  877    H4*    G  82           H4*        G  82   0.016  28.875  11.954
  878    H3*    G  82           H3*        G  82   0.974  31.014  10.094
  879    H2*    G  82           H2*        G  82   2.818  29.805   9.345
  880   2HO*    G  82          2HO*        G  82   3.202  27.719  10.782
  881    H1*    G  82           H1*        G  82   1.826  27.233   9.458
  882    H8     G  82           H8         G  82  -0.953  29.055   7.856
  883    H1     G  82           H1         G  82   4.025  28.402   3.883
  884   1H2     G  82          1H2         G  82   5.822  27.763   5.016
  885   2H2     G  82          2H2         G  82   5.796  27.497   6.744
  886   1H5*    U  83          1H5*        U  83   4.390  30.892  12.118
  887   2H5*    U  83          2H5*        U  83   4.768  32.415  12.949
  888    H4*    U  83           H4*        U  83   6.580  31.993  11.466
  889    H3*    U  83           H3*        U  83   4.693  34.122  10.491
  890    H2*    U  83           H2*        U  83   5.754  34.274   8.418
  891   2HO*    U  83          2HO*        U  83   7.993  32.747   9.044
  892    H1*    U  83           H1*        U  83   6.544  31.631   8.108
  893    H3     U  83           H3         U  83   3.615  32.283   4.709
  894    H5     U  83           H5         U  83   1.182  31.999   8.138
  895    H6     U  83           H6         U  83   3.199  31.989   9.488
  896   1H5*    C  84          1H5*        C  84   8.126  35.106   9.601
  897   2H5*    C  84          2H5*        C  84   8.965  36.575  10.139
  898    H4*    C  84           H4*        C  84   9.263  36.523   7.797
  899    H3*    C  84           H3*        C  84   7.038  38.402   8.587
  900    H2*    C  84           H2*        C  84   6.481  38.785   6.363
  901   2HO*    C  84          2HO*        C  84   7.951  38.697   4.708
  902    H1*    C  84           H1*        C  84   7.343  36.316   5.286
  903   1H4     C  84          1H4         C  84   1.010  36.103   4.844
  904   2H4     C  84          2H4         C  84   0.855  35.997   6.584
  905    H5     C  84           H5         C  84   2.734  36.114   8.086
  906    H6     C  84           H6         C  84   5.166  36.374   8.247
  907   1H5*    C  85          1H5*        C  85   9.848  39.433   5.822
  908   2H5*    C  85          2H5*        C  85  10.739  40.963   5.939
  909    H4*    C  85           H4*        C  85  10.288  40.619   3.626
  910    H3*    C  85           H3*        C  85   8.452  42.662   4.881
  911    H2*    C  85           H2*        C  85   7.298  42.921   2.850
  912   2HO*    C  85          2HO*        C  85   9.507  41.596   1.630
  913    H1*    C  85           H1*        C  85   7.332  40.286   2.038
  914   1H4     C  85          1H4         C  85   1.642  41.005   4.802
  915   2H4     C  85          2H4         C  85   2.381  41.008   6.386
  916    H5     C  85           H5         C  85   4.758  40.913   6.735
  917    H6     C  85           H6         C  85   6.949  40.813   5.642
  918   1H5*    U  86          1H5*        U  86   9.227  43.647   1.206
  919   2H5*    U  86          2H5*        U  86   9.742  45.321   0.919
  920    H4*    U  86           H4*        U  86   7.812  44.649  -0.490
  921    H3*    U  86           H3*        U  86   7.525  46.891   1.486
  922    H2*    U  86           H2*        U  86   5.247  46.905   1.337
  923   2HO*    U  86          2HO*        U  86   5.370  46.110  -1.386
  924    H1*    U  86           H1*        U  86   5.004  44.403  -0.187
  925    H3     U  86           H3         U  86   1.190  44.244   2.216
  926    H5     U  86           H5         U  86   4.236  44.053   5.129
  927    H6     U  86           H6         U  86   5.849  44.471   3.364
  928    H3T    U  86           H3T        U  86   7.727  46.526  -1.309
  929   1HN1  NCO 101          1HN1      NCO 101 -12.261  11.395   2.606
  930   2HN1  NCO 101          2HN1      NCO 101 -13.281  10.195   3.056
  931   3HN1  NCO 101          3HN1      NCO 101 -13.716  11.759   3.262
  932   1HN2  NCO 101          1HN2      NCO 101  -9.791  11.491   4.352
  933   2HN2  NCO 101          2HN2      NCO 101 -10.412  12.891   4.930
  934   3HN2  NCO 101          3HN2      NCO 101 -10.800  12.384   3.423
  935   1HN3  NCO 101          1HN3      NCO 101 -11.585   9.064   3.771
  936   2HN3  NCO 101          2HN3      NCO 101 -11.468   8.724   5.369
  937   3HN3  NCO 101          3HN3      NCO 101 -10.263   9.536   4.613
  938   1HN4  NCO 101          1HN4      NCO 101 -14.525  10.491   5.372
  939   2HN4  NCO 101          2HN4      NCO 101 -13.724  10.217   6.774
  940   3HN4  NCO 101          3HN4      NCO 101 -13.598   9.151   5.537
  941   1HN5  NCO 101          1HN5      NCO 101 -13.304  12.820   6.448
  942   2HN5  NCO 101          2HN5      NCO 101 -13.860  12.883   4.909
  943   3HN5  NCO 101          3HN5      NCO 101 -12.418  13.563   5.288
  944   1HN6  NCO 101          1HN6      NCO 101 -11.132  10.150   7.150
  945   2HN6  NCO 101          2HN6      NCO 101 -11.908  11.542   7.522
  946   3HN6  NCO 101          3HN6      NCO 101 -10.428  11.592   6.824
  947   1HN1  NCO 102          1HN1      NCO 102  -8.806 -16.603  -0.573
  948   2HN1  NCO 102          2HN1      NCO 102 -10.125 -17.198  -1.337
  949   3HN1  NCO 102          3HN1      NCO 102 -10.299 -16.324   0.036
  950   1HN2  NCO 102          1HN2      NCO 102  -9.728 -15.425  -4.273
  951   2HN2  NCO 102          2HN2      NCO 102  -8.285 -15.685  -3.544
  952   3HN2  NCO 102          3HN2      NCO 102  -9.512 -16.749  -3.335
  953   1HN3  NCO 102          1HN3      NCO 102  -7.913 -14.385  -0.419
  954   2HN3  NCO 102          2HN3      NCO 102  -7.417 -15.022  -1.844
  955   3HN3  NCO 102          3HN3      NCO 102  -7.796 -13.433  -1.746
  956   1HN4  NCO 102          1HN4      NCO 102 -11.049 -14.397   0.286
  957   2HN4  NCO 102          2HN4      NCO 102  -9.702 -13.467   0.226
  958   3HN4  NCO 102          3HN4      NCO 102 -11.054 -13.005  -0.577
  959   1HN5  NCO 102          1HN5      NCO 102 -11.931 -16.170  -2.069
  960   2HN5  NCO 102          2HN5      NCO 102 -11.905 -15.085  -3.294
  961   3HN5  NCO 102          3HN5      NCO 102 -12.369 -14.616  -1.794
  962   1HN6  NCO 102          1HN6      NCO 102  -9.605 -12.365  -2.449
  963   2HN6  NCO 102          2HN6      NCO 102  -9.469 -13.263  -3.812
  964   3HN6  NCO 102          3HN6      NCO 102 -10.949 -12.939  -3.188
  965   1HN1  NCO 103          1HN1      NCO 103  11.334 -12.804   2.903
  966   2HN1  NCO 103          2HN1      NCO 103  12.869 -13.155   3.353
  967   3HN1  NCO 103          3HN1      NCO 103  12.428 -13.281   1.781
  968   1HN2  NCO 103          1HN2      NCO 103  14.896 -10.996   0.970
  969   2HN2  NCO 103          2HN2      NCO 103  14.159 -12.458   0.959
  970   3HN2  NCO 103          3HN2      NCO 103  13.601 -11.252   0.001
  971   1HN3  NCO 103          1HN3      NCO 103  15.152 -10.903   3.189
  972   2HN3  NCO 103          2HN3      NCO 103  14.271 -12.028   3.989
  973   3HN3  NCO 103          3HN3      NCO 103  14.143 -10.446   4.394
  974   1HN4  NCO 103          1HN4      NCO 103  12.070 -10.449   4.660
  975   2HN4  NCO 103          2HN4      NCO 103  11.383  -9.347   3.664
  976   3HN4  NCO 103          3HN4      NCO 103  10.778 -10.866   3.745
  977   1HN5  NCO 103          1HN5      NCO 103  11.724 -10.478   0.139
  978   2HN5  NCO 103          2HN5      NCO 103  10.837 -11.553   0.997
  979   3HN5  NCO 103          3HN5      NCO 103  10.736  -9.954   1.336
  980   1HN6  NCO 103          1HN6      NCO 103  12.657  -8.392   2.376
  981   2HN6  NCO 103          2HN6      NCO 103  14.229  -8.834   2.501
  982   3HN6  NCO 103          3HN6      NCO 103  13.485  -8.857   1.042
  983   1HN1  NCO 104          1HN1      NCO 104   9.647  16.299  -1.744
  984   2HN1  NCO 104          2HN1      NCO 104  11.093  16.057  -1.016
  985   3HN1  NCO 104          3HN1      NCO 104  10.021  17.114  -0.374
  986   1HN2  NCO 104          1HN2      NCO 104  11.213  13.409  -0.653
  987   2HN2  NCO 104          2HN2      NCO 104  10.203  13.786  -1.886
  988   3HN2  NCO 104          3HN2      NCO 104   9.810  12.586  -0.842
  989   1HN3  NCO 104          1HN3      NCO 104   6.960  14.486  -0.474
  990   2HN3  NCO 104          2HN3      NCO 104   7.941  14.102  -1.726
  991   3HN3  NCO 104          3HN3      NCO 104   7.639  15.672  -1.375
  992   1HN4  NCO 104          1HN4      NCO 104   8.517  17.019   0.932
  993   2HN4  NCO 104          2HN4      NCO 104   7.454  15.874   1.422
  994   3HN4  NCO 104          3HN4      NCO 104   8.842  16.113   2.258
  995   1HN5  NCO 104          1HN5      NCO 104  11.441  14.018   1.278
  996   2HN5  NCO 104          2HN5      NCO 104  10.587  14.903   2.359
  997   3HN5  NCO 104          3HN5      NCO 104  11.449  15.652   1.185
  998   1HN6  NCO 104          1HN6      NCO 104   9.280  12.827   1.750
  999   2HN6  NCO 104          2HN6      NCO 104   7.899  13.687   1.931
 1000   3HN6  NCO 104          3HN6      NCO 104   8.076  12.683   0.650
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   3.739 -46.299  -6.547
    2   2H5*    G   1          2H5*        G   1   4.933 -45.078  -7.031
    3    H4*    G   1           H4*        G   1   3.998 -45.530  -9.076
    4    H3*    G   1           H3*        G   1   2.499 -43.264  -7.833
    5    H2*    G   1           H2*        G   1   0.674 -43.396  -9.290
    6   2HO*    G   1          2HO*        G   1   0.840 -44.649 -11.271
    7    H1*    G   1           H1*        G   1   0.463 -46.089  -9.599
    8    H8     G   1           H8         G   1   1.411 -45.657  -6.003
    9    H1     G   1           H1         G   1  -4.720 -44.165  -7.098
   10   1H2     G   1          1H2         G   1  -5.093 -44.044  -9.283
   11   2H2     G   1          2H2         G   1  -3.839 -44.328 -10.469
   12    H5T    G   1           H5T        G   1   3.927 -43.692  -5.854
   13   1H5*    G   2          1H5*        G   2   1.726 -42.730 -11.475
   14   2H5*    G   2          2H5*        G   2   2.223 -41.170 -12.162
   15    H4*    G   2           H4*        G   2  -0.153 -41.555 -12.563
   16    H3*    G   2           H3*        G   2   0.550 -39.346 -10.629
   17    H2*    G   2           H2*        G   2  -1.693 -38.980 -10.137
   18   2HO*    G   2          2HO*        G   2  -2.418 -40.284 -12.564
   19    H1*    G   2           H1*        G   2  -2.667 -41.589 -10.708
   20    H8     G   2           H8         G   2   0.052 -41.661  -8.096
   21    H1     G   2           H1         G   2  -5.688 -40.072  -5.738
   22   1H2     G   2          1H2         G   2  -7.104 -39.678  -7.393
   23   2H2     G   2          2H2         G   2  -6.638 -39.800  -9.075
   24   1H5*    G   3          1H5*        G   3  -2.146 -38.082 -13.157
   25   2H5*    G   3          2H5*        G   3  -1.868 -36.657 -14.179
   26    H4*    G   3           H4*        G   3  -4.021 -36.363 -13.228
   27    H3*    G   3           H3*        G   3  -1.918 -34.710 -11.830
   28    H2*    G   3           H2*        G   3  -3.453 -33.996 -10.231
   29   2HO*    G   3          2HO*        G   3  -5.773 -34.828 -11.501
   30    H1*    G   3           H1*        G   3  -5.155 -36.249 -10.252
   31    H8     G   3           H8         G   3  -1.401 -36.840  -9.679
   32    H1     G   3           H1         G   3  -4.784 -35.776  -4.347
   33   1H2     G   3          1H2         G   3  -6.867 -35.198  -4.880
   34   2H2     G   3          2H2         G   3  -7.411 -35.073  -6.536
   35   1H5*    A   4          1H5*        A   4  -5.463 -32.803 -12.236
   36   2H5*    A   4          2H5*        A   4  -5.389 -31.277 -13.141
   37    H4*    A   4           H4*        A   4  -6.805 -30.915 -11.245
   38    H3*    A   4           H3*        A   4  -4.073 -29.667 -10.995
   39    H2*    A   4           H2*        A   4  -4.484 -29.005  -8.799
   40   2HO*    A   4          2HO*        A   4  -7.119 -29.425  -8.467
   41    H1*    A   4           H1*        A   4  -6.226 -31.069  -8.038
   42    H8     A   4           H8         A   4  -2.815 -31.870  -9.680
   43   1H6     A   4          1H6         A   4  -0.737 -32.551  -3.909
   44   2H6     A   4          2H6         A   4  -0.345 -32.698  -5.606
   45    H2     A   4           H2         A   4  -4.982 -31.085  -3.683
   46   1H5*    U   5          1H5*        U   5  -6.957 -27.266  -9.343
   47   2H5*    U   5          2H5*        U   5  -6.799 -25.547  -9.751
   48    H4*    U   5           H4*        U   5  -6.897 -25.916  -7.313
   49    H3*    U   5           H3*        U   5  -4.388 -24.762  -8.514
   50    H2*    U   5           H2*        U   5  -3.254 -24.847  -6.485
   51   2HO*    U   5          2HO*        U   5  -5.642 -25.194  -5.006
   52    H1*    U   5           H1*        U   5  -4.562 -27.054  -5.334
   53    H3     U   5           H3         U   5  -0.387 -28.709  -5.367
   54    H5     U   5           H5         U   5  -1.234 -28.146  -9.457
   55    H6     U   5           H6         U   5  -3.340 -27.126  -8.814
   56   1H5*    A   6          1H5*        A   6  -7.775 -21.430  -5.083
   57   2H5*    A   6          2H5*        A   6  -6.213 -20.751  -4.582
   58    H4*    A   6           H4*        A   6  -8.014 -22.647  -3.061
   59    H3*    A   6           H3*        A   6  -7.890 -19.908  -2.902
   60    H2*    A   6           H2*        A   6  -5.714 -19.591  -2.137
   61   2HO*    A   6          2HO*        A   6  -5.899 -19.118  -0.087
   62    H1*    A   6           H1*        A   6  -5.506 -22.078  -0.534
   63    H8     A   6           H8         A   6  -4.089 -21.365  -4.065
   64   1H6     A   6          1H6         A   6   1.388 -20.946  -1.232
   65   2H6     A   6          2H6         A   6   0.567 -20.945  -2.777
   66    H2     A   6           H2         A   6  -1.767 -21.455   1.924
   67   1H5*    U   7          1H5*        U   7  -9.684 -20.709   2.700
   68   2H5*    U   7          2H5*        U   7  -9.016 -19.090   2.410
   69    H4*    U   7           H4*        U   7  -8.151 -20.106   4.491
   70    H3*    U   7           H3*        U   7  -6.573 -18.814   2.592
   71    H2*    U   7           H2*        U   7  -5.497 -20.688   1.686
   72   2HO*    U   7          2HO*        U   7  -3.751 -21.256   3.494
   73    H1*    U   7           H1*        U   7  -5.515 -22.174   4.297
   74    H3     U   7           H3         U   7  -7.269 -25.961   1.748
   75    H5     U   7           H5         U   7  -3.788 -24.286   0.060
   76    H6     U   7           H6         U   7  -4.072 -22.377   1.532
   77   1H5*    G   8          1H5*        G   8  -2.663 -19.993   4.312
   78   2H5*    G   8          2H5*        G   8  -2.626 -18.659   5.482
   79    H4*    G   8           H4*        G   8  -0.487 -18.582   4.568
   80    H3*    G   8           H3*        G   8  -2.287 -16.641   3.143
   81    H2*    G   8           H2*        G   8  -0.713 -16.203   1.483
   82   2HO*    G   8          2HO*        G   8   1.115 -16.929   3.493
   83    H1*    G   8           H1*        G   8   0.548 -18.681   1.363
   84    H8     G   8           H8         G   8  -3.222 -19.068   1.315
   85    H1     G   8           H1         G   8  -0.740 -17.603  -4.400
   86   1H2     G   8          1H2         G   8   1.398 -17.077  -4.189
   87   2H2     G   8          2H2         G   8   2.219 -17.083  -2.646
   88   1H5*    G   9          1H5*        G   9  -2.572 -12.361   3.433
   89   2H5*    G   9          2H5*        G   9  -3.360 -13.311   2.158
   90    H4*    G   9           H4*        G   9  -0.438 -12.577   2.425
   91    H3*    G   9           H3*        G   9  -2.640 -11.858   0.541
   92    H2*    G   9           H2*        G   9  -1.405 -12.278  -1.400
   93   2HO*    G   9          2HO*        G   9   1.068 -12.649  -0.184
   94    H1*    G   9           H1*        G   9   0.029 -14.454  -0.634
   95    H8     G   9           H8         G   9  -3.024 -15.492   0.985
   96    H1     G   9           H1         G   9  -3.910 -15.292  -5.354
   97   1H2     G   9          1H2         G   9  -2.267 -14.141  -6.312
   98   2H2     G   9          2H2         G   9  -0.953 -13.434  -5.399
   99   1H5*    A  10          1H5*        A  10   0.084  -8.599  -0.133
  100   2H5*    A  10          2H5*        A  10  -0.667  -6.994  -0.038
  101    H4*    A  10           H4*        A  10   0.229  -7.548  -2.302
  102    H3*    A  10           H3*        A  10  -2.705  -6.965  -1.923
  103    H2*    A  10           H2*        A  10  -3.174  -7.465  -4.152
  104   2HO*    A  10          2HO*        A  10  -0.770  -6.318  -4.529
  105    H1*    A  10           H1*        A  10  -1.209  -9.410  -4.587
  106    H8     A  10           H8         A  10  -2.923 -10.471  -1.479
  107   1H6     A  10          1H6         A  10  -7.569 -12.584  -4.957
  108   2H6     A  10          2H6         A  10  -6.868 -12.560  -3.356
  109    H2     A  10           H2         A  10  -4.908 -10.085  -7.578
  110   1H5*    A  11          1H5*        A  11  -1.072  -4.204  -4.955
  111   2H5*    A  11          2H5*        A  11  -1.810  -2.592  -4.867
  112    H4*    A  11           H4*        A  11  -1.964  -3.660  -7.126
  113    H3*    A  11           H3*        A  11  -4.501  -2.945  -5.638
  114    H2*    A  11           H2*        A  11  -5.781  -3.766  -7.440
  115   2HO*    A  11          2HO*        A  11  -3.368  -3.677  -8.955
  116    H1*    A  11           H1*        A  11  -4.189  -5.940  -8.063
  117    H8     A  11           H8         A  11  -4.498  -5.724  -4.303
  118   1H6     A  11          1H6         A  11  -9.908  -8.659  -4.908
  119   2H6     A  11          2H6         A  11  -8.701  -8.093  -3.775
  120    H2     A  11           H2         A  11  -8.502  -7.480  -9.008
  121   1H5*    G  12          1H5*        G  12  -5.095  -0.287  -9.172
  122   2H5*    G  12          2H5*        G  12  -5.633   1.255  -8.478
  123    H4*    G  12           H4*        G  12  -7.274   0.325 -10.074
  124    H3*    G  12           H3*        G  12  -8.097   0.559  -7.173
  125    H2*    G  12           H2*        G  12 -10.196  -0.372  -7.679
  126   2HO*    G  12          2HO*        G  12 -11.107  -0.299  -9.678
  127    H1*    G  12           H1*        G  12  -9.362  -2.171  -9.620
  128    H8     G  12           H8         G  12  -7.076  -2.239  -6.585
  129    H1     G  12           H1         G  12 -12.452  -5.628  -5.837
  130   1H2     G  12          1H2         G  12 -13.843  -5.223  -7.520
  131   2H2     G  12          2H2         G  12 -13.448  -4.119  -8.818
  132   1H5*    A  13          1H5*        A  13 -11.314   2.646  -9.475
  133   2H5*    A  13          2H5*        A  13 -11.776   4.045  -8.485
  134    H4*    A  13           H4*        A  13 -13.676   2.511  -9.079
  135    H3*    A  13           H3*        A  13 -12.989   3.062  -6.189
  136    H2*    A  13           H2*        A  13 -14.676   1.601  -5.474
  137   2HO*    A  13          2HO*        A  13 -16.450   1.102  -6.684
  138    H1*    A  13           H1*        A  13 -14.479  -0.276  -7.520
  139    H8     A  13           H8         A  13 -11.106   0.767  -6.046
  140   1H6     A  13          1H6         A  13 -11.926  -3.833  -2.003
  141   2H6     A  13          2H6         A  13 -10.803  -2.640  -2.615
  142    H2     A  13           H2         A  13 -15.737  -3.346  -4.335
  143   1H5*    A  14          1H5*        A  14 -17.106   3.637  -6.470
  144   2H5*    A  14          2H5*        A  14 -17.601   5.233  -5.872
  145    H4*    A  14           H4*        A  14 -18.990   3.604  -4.797
  146    H3*    A  14           H3*        A  14 -16.850   4.753  -3.006
  147    H2*    A  14           H2*        A  14 -17.433   3.310  -1.276
  148   2HO*    A  14          2HO*        A  14 -19.801   2.300  -2.195
  149    H1*    A  14           H1*        A  14 -18.363   1.149  -2.819
  150    H8     A  14           H8         A  14 -14.867   2.606  -3.541
  151   1H6     A  14          1H6         A  14 -12.771  -1.707   0.349
  152   2H6     A  14          2H6         A  14 -12.323  -0.448  -0.780
  153    H2     A  14           H2         A  14 -17.266  -1.827   0.440
  154   1H5*    C  15          1H5*        C  15 -21.066   4.610  -1.140
  155   2H5*    C  15          2H5*        C  15 -21.241   6.192  -0.354
  156    H4*    C  15           H4*        C  15 -22.043   4.502   1.161
  157    H3*    C  15           H3*        C  15 -19.377   5.695   1.934
  158    H2*    C  15           H2*        C  15 -19.246   4.265   3.794
  159   2HO*    C  15          2HO*        C  15 -20.993   3.383   4.772
  160    H1*    C  15           H1*        C  15 -20.406   2.021   2.653
  161   1H4     C  15          1H4         C  15 -14.181   0.829   2.205
  162   2H4     C  15          2H4         C  15 -13.978   2.107   1.030
  163    H5     C  15           H5         C  15 -15.768   3.559   0.338
  164    H6     C  15           H6         C  15 -18.139   4.109   0.631
  165   1H5*    C  16          1H5*        C  16 -21.287   5.513   5.175
  166   2H5*    C  16          2H5*        C  16 -21.288   6.883   6.305
  167    H4*    C  16           H4*        C  16 -20.295   5.027   7.442
  168    H3*    C  16           H3*        C  16 -18.300   7.099   6.530
  169    H2*    C  16           H2*        C  16 -16.514   5.785   7.232
  170   2HO*    C  16          2HO*        C  16 -17.783   3.899   8.744
  171    H1*    C  16           H1*        C  16 -17.717   3.247   6.928
  172   1H4     C  16          1H4         C  16 -13.361   3.402   2.321
  173   2H4     C  16          2H4         C  16 -14.187   4.718   1.516
  174    H5     C  16           H5         C  16 -16.167   5.773   2.401
  175    H6     C  16           H6         C  16 -17.765   5.808   4.261
  176   1H5*    G  17          1H5*        G  17 -18.334   6.244  11.289
  177   2H5*    G  17          2H5*        G  17 -17.950   7.850  11.942
  178    H4*    G  17           H4*        G  17 -16.720   6.082  13.124
  179    H3*    G  17           H3*        G  17 -15.147   8.079  11.507
  180    H2*    G  17           H2*        G  17 -13.136   6.953  11.915
  181   2HO*    G  17          2HO*        G  17 -14.497   5.695  14.078
  182    H1*    G  17           H1*        G  17 -14.083   4.351  11.921
  183    H8     G  17           H8         G  17 -15.533   6.397   9.064
  184    H1     G  17           H1         G  17  -9.784   3.897   7.784
  185   1H2     G  17          1H2         G  17  -8.895   3.047   9.635
  186   2H2     G  17          2H2         G  17  -9.716   3.096  11.180
  187   1H5*    G  18          1H5*        G  18 -12.730   7.218  14.361
  188   2H5*    G  18          2H5*        G  18 -12.560   8.558  15.512
  189    H4*    G  18           H4*        G  18 -10.352   7.852  15.127
  190    H3*    G  18           H3*        G  18 -11.016  10.246  13.419
  191    H2*    G  18           H2*        G  18  -9.001  10.088  12.274
  192   2HO*    G  18          2HO*        G  18  -7.760   8.387  14.123
  193    H1*    G  18           H1*        G  18  -8.553   7.307  12.578
  194    H8     G  18           H8         G  18 -11.850   8.456  10.977
  195    H1     G  18           H1         G  18  -7.066   7.555   6.828
  196   1H2     G  18          1H2         G  18  -5.171   7.168   7.919
  197   2H2     G  18          2H2         G  18  -5.085   7.134   9.666
  198   1H5*    G  19          1H5*        G  19  -7.011  10.287  14.966
  199   2H5*    G  19          2H5*        G  19  -6.640  11.877  15.662
  200    H4*    G  19           H4*        G  19  -4.864  11.083  14.135
  201    H3*    G  19           H3*        G  19  -6.395  13.579  13.417
  202    H2*    G  19           H2*        G  19  -5.333  13.736  11.356
  203   2HO*    G  19          2HO*        G  19  -3.237  12.432  12.710
  204    H1*    G  19           H1*        G  19  -4.760  10.992  10.958
  205    H8     G  19           H8         G  19  -8.391  12.095  11.622
  206    H1     G  19           H1         G  19  -6.754  11.842   5.439
  207   1H2     G  19          1H2         G  19  -4.578  11.451   5.243
  208   2H2     G  19          2H2         G  19  -3.533  11.250   6.632
  209   1H5*    G  20          1H5*        G  20  -5.145  17.710  13.703
  210   2H5*    G  20          2H5*        G  20  -6.562  17.246  12.740
  211    H4*    G  20           H4*        G  20  -3.650  17.167  12.030
  212    H3*    G  20           H3*        G  20  -6.169  18.222  10.808
  213    H2*    G  20           H2*        G  20  -5.641  17.512   8.639
  214   2HO*    G  20          2HO*        G  20  -3.654  18.008   8.109
  215    H1*    G  20           H1*        G  20  -4.488  15.111   9.174
  216    H8     G  20           H8         G  20  -7.130  15.044  11.722
  217    H1     G  20           H1         G  20  -9.645  14.661   5.850
  218   1H2     G  20          1H2         G  20  -8.115  15.163   4.333
  219   2H2     G  20          2H2         G  20  -6.474  15.594   4.759
  220   1H5*    A  21          1H5*        A  21  -7.026  22.197  11.015
  221   2H5*    A  21          2H5*        A  21  -7.915  20.807  10.360
  222    H4*    A  21           H4*        A  21  -8.337  23.078   9.259
  223    H3*    A  21           H3*        A  21  -7.694  20.543   7.800
  224    H2*    A  21           H2*        A  21  -7.365  21.609   5.741
  225   2HO*    A  21          2HO*        A  21  -8.483  23.317   5.151
  226    H1*    A  21           H1*        A  21  -6.154  23.910   6.574
  227    H8     A  21           H8         A  21  -4.943  20.947   8.643
  228   1H6     A  21          1H6         A  21  -0.704  20.063   4.250
  229   2H6     A  21          2H6         A  21  -1.247  19.589   5.844
  230    H2     A  21           H2         A  21  -3.566  23.197   2.781
  231   1H5*    A  22          1H5*        A  22 -10.604  18.739   4.902
  232   2H5*    A  22          2H5*        A  22  -9.051  17.912   5.126
  233    H4*    A  22           H4*        A  22  -9.846  20.006   3.172
  234    H3*    A  22           H3*        A  22  -8.246  17.499   3.156
  235    H2*    A  22           H2*        A  22  -6.443  18.326   1.950
  236   2HO*    A  22          2HO*        A  22  -8.254  20.313   1.017
  237    H1*    A  22           H1*        A  22  -6.341  20.923   2.779
  238    H8     A  22           H8         A  22  -6.939  19.482   6.049
  239   1H6     A  22          1H6         A  22  -1.220  17.157   6.050
  240   2H6     A  22          2H6         A  22  -2.622  17.528   7.029
  241    H2     A  22           H2         A  22  -2.204  18.410   1.846
  242   1H5*    A  23          1H5*        A  23  -8.409  17.062  -2.064
  243   2H5*    A  23          2H5*        A  23  -8.486  15.422  -1.391
  244    H4*    A  23           H4*        A  23  -6.374  16.455  -2.808
  245    H3*    A  23           H3*        A  23  -6.653  14.140  -0.926
  246    H2*    A  23           H2*        A  23  -4.351  13.947  -0.550
  247   2HO*    A  23          2HO*        A  23  -4.232  14.915  -3.111
  248    H1*    A  23           H1*        A  23  -3.627  16.579  -0.562
  249    H8     A  23           H8         A  23  -6.986  15.935   1.177
  250   1H6     A  23          1H6         A  23  -3.686  15.277   6.363
  251   2H6     A  23          2H6         A  23  -5.301  15.404   5.697
  252    H2     A  23           H2         A  23  -0.812  15.599   2.905
  253   1H5*    C  24          1H5*        C  24  -4.190  12.617  -3.096
  254   2H5*    C  24          2H5*        C  24  -4.306  10.917  -3.595
  255    H4*    C  24           H4*        C  24  -2.547  11.294  -1.889
  256    H3*    C  24           H3*        C  24  -4.887   9.512  -1.226
  257    H2*    C  24           H2*        C  24  -4.150   9.235   0.970
  258   2HO*    C  24          2HO*        C  24  -1.686  10.308   0.981
  259    H1*    C  24           H1*        C  24  -2.937  11.732   1.334
  260   1H4     C  24          1H4         C  24  -8.370  12.176   4.602
  261   2H4     C  24          2H4         C  24  -9.298  12.220   3.119
  262    H5     C  24           H5         C  24  -8.309  11.966   0.937
  263    H6     C  24           H6         C  24  -6.220  11.628  -0.297
  264   1H5*    U  25          1H5*        U  25  -1.891   7.974   0.299
  265   2H5*    U  25          2H5*        U  25  -1.393   6.306  -0.049
  266    H4*    U  25           H4*        U  25  -1.510   6.523   2.328
  267    H3*    U  25           H3*        U  25  -3.857   5.021   1.159
  268    H2*    U  25           H2*        U  25  -4.861   4.867   3.259
  269   2HO*    U  25          2HO*        U  25  -3.741   4.654   5.098
  270    H1*    U  25           H1*        U  25  -3.786   7.228   4.389
  271    H3     U  25           H3         U  25  -8.200   7.981   4.892
  272    H5     U  25           H5         U  25  -7.645   8.070   0.714
  273    H6     U  25           H6         U  25  -5.343   7.395   1.071
  274   1H5*    U  26          1H5*        U  26  -2.293   3.521   4.370
  275   2H5*    U  26          2H5*        U  26  -1.621   1.882   4.467
  276    H4*    U  26           H4*        U  26  -2.797   2.066   6.469
  277    H3*    U  26           H3*        U  26  -4.616   0.786   4.418
  278    H2*    U  26           H2*        U  26  -6.369   0.773   5.966
  279   2HO*    U  26          2HO*        U  26  -4.312   0.941   7.910
  280    H1*    U  26           H1*        U  26  -5.717   3.126   7.326
  281    H3     U  26           H3         U  26  -9.691   4.387   5.651
  282    H5     U  26           H5         U  26  -7.396   3.633   2.203
  283    H6     U  26           H6         U  26  -5.602   2.862   3.643
  284   1H5*    G  27          1H5*        G  27  -5.012  -0.822   7.886
  285   2H5*    G  27          2H5*        G  27  -5.262  -2.569   8.072
  286    H4*    G  27           H4*        G  27  -7.135  -1.407   9.054
  287    H3*    G  27           H3*        G  27  -7.785  -2.758   6.422
  288    H2*    G  27           H2*        G  27  -9.963  -1.939   6.554
  289   2HO*    G  27          2HO*        G  27 -10.109  -1.086   9.131
  290    H1*    G  27           H1*        G  27  -9.386   0.365   8.122
  291    H8     G  27           H8         G  27  -7.767  -0.246   4.654
  292    H1     G  27           H1         G  27 -13.069   3.342   4.629
  293   1H2     G  27          1H2         G  27 -13.963   3.380   6.663
  294   2H2     G  27          2H2         G  27 -13.250   2.531   8.016
  295   1H5*    G  28          1H5*        G  28 -10.588  -4.225   9.966
  296   2H5*    G  28          2H5*        G  28 -10.393  -5.978   9.761
  297    H4*    G  28           H4*        G  28 -12.677  -5.736  10.191
  298    H3*    G  28           H3*        G  28 -12.176  -5.939   7.231
  299    H2*    G  28           H2*        G  28 -14.422  -5.470   6.719
  300   2HO*    G  28          2HO*        G  28 -15.657  -5.313   9.070
  301    H1*    G  28           H1*        G  28 -14.897  -3.537   8.585
  302    H8     G  28           H8         G  28 -11.379  -3.532   7.012
  303    H1     G  28           H1         G  28 -15.695   0.005   3.874
  304   1H2     G  28          1H2         G  28 -17.702  -0.257   4.796
  305   2H2     G  28          2H2         G  28 -17.979  -1.319   6.159
  306   1H5*    U  29          1H5*        U  29 -15.505  -7.675   7.535
  307   2H5*    U  29          2H5*        U  29 -15.598  -9.350   6.959
  308    H4*    U  29           H4*        U  29 -17.313  -8.121   5.835
  309    H3*    U  29           H3*        U  29 -14.925  -8.667   4.062
  310    H2*    U  29           H2*        U  29 -15.914  -7.462   2.331
  311   2HO*    U  29          2HO*        U  29 -18.462  -7.553   3.567
  312    H1*    U  29           H1*        U  29 -17.432  -5.675   3.920
  313    H3     U  29           H3         U  29 -15.010  -2.901   1.296
  314    H5     U  29           H5         U  29 -12.137  -4.663   3.829
  315    H6     U  29           H6         U  29 -13.885  -6.104   4.697
  316   1H5*    U  30          1H5*        U  30 -18.726  -9.182   2.283
  317   2H5*    U  30          2H5*        U  30 -18.880 -10.784   1.534
  318    H4*    U  30           H4*        U  30 -19.836  -9.173   0.031
  319    H3*    U  30           H3*        U  30 -17.122 -10.165  -0.871
  320    H2*    U  30           H2*        U  30 -17.254  -8.779  -2.759
  321   2HO*    U  30          2HO*        U  30 -20.032  -8.408  -2.253
  322    H1*    U  30           H1*        U  30 -18.626  -6.656  -1.567
  323    H3     U  30           H3         U  30 -14.742  -4.655  -2.658
  324    H5     U  30           H5         U  30 -13.634  -7.398   0.345
  325    H6     U  30           H6         U  30 -15.904  -8.257   0.304
  326   1H5*    C  31          1H5*        C  31 -19.763 -10.310  -4.221
  327   2H5*    C  31          2H5*        C  31 -19.304 -11.641  -5.302
  328    H4*    C  31           H4*        C  31 -19.223  -9.349  -6.344
  329    H3*    C  31           H3*        C  31 -16.714 -11.043  -6.245
  330    H2*    C  31           H2*        C  31 -15.542  -9.334  -7.332
  331   2HO*    C  31          2HO*        C  31 -18.049  -8.239  -8.128
  332    H1*    C  31           H1*        C  31 -17.003  -7.164  -6.278
  333   1H4     C  31          1H4         C  31 -11.390  -6.848  -3.322
  334   2H4     C  31          2H4         C  31 -11.743  -8.303  -2.417
  335    H5     C  31           H5         C  31 -13.738  -9.612  -2.747
  336    H6     C  31           H6         C  31 -15.818  -9.818  -4.026
  337   1H5*    U  32          1H5*        U  32 -16.900 -10.248 -10.539
  338   2H5*    U  32          2H5*        U  32 -16.679 -11.836 -11.300
  339    H4*    U  32           H4*        U  32 -15.015 -10.299 -12.162
  340    H3*    U  32           H3*        U  32 -13.969 -12.448 -10.318
  341    H2*    U  32           H2*        U  32 -11.812 -11.560 -10.412
  342   2HO*    U  32          2HO*        U  32 -11.096 -10.266 -12.108
  343    H1*    U  32           H1*        U  32 -12.481  -8.859 -10.681
  344    H3     U  32           H3         U  32 -10.279  -8.801  -6.758
  345    H5     U  32           H5         U  32 -13.753 -11.017  -5.896
  346    H6     U  32           H6         U  32 -14.323 -10.911  -8.253
  347   1H5*    U  33          1H5*        U  33 -11.713 -11.694 -13.946
  348   2H5*    U  33          2H5*        U  33 -11.116 -13.183 -14.705
  349    H4*    U  33           H4*        U  33  -9.370 -11.422 -14.499
  350    H3*    U  33           H3*        U  33  -9.011 -14.067 -13.105
  351    H2*    U  33           H2*        U  33  -7.105 -13.340 -12.001
  352   2HO*    U  33          2HO*        U  33  -6.607 -11.119 -13.618
  353    H1*    U  33           H1*        U  33  -7.640 -10.551 -11.990
  354    H3     U  33           H3         U  33  -6.924 -11.266  -7.590
  355    H5     U  33           H5         U  33 -10.441 -13.442  -8.403
  356    H6     U  33           H6         U  33 -10.143 -12.926 -10.754
  357   1H5*    C  34          1H5*        C  34  -4.597 -15.908 -14.014
  358   2H5*    C  34          2H5*        C  34  -5.713 -15.340 -12.754
  359    H4*    C  34           H4*        C  34  -3.474 -13.535 -13.596
  360    H3*    C  34           H3*        C  34  -3.085 -16.126 -12.142
  361    H2*    C  34           H2*        C  34  -1.996 -15.153 -10.339
  362   2HO*    C  34          2HO*        C  34  -1.348 -13.046 -12.139
  363    H1*    C  34           H1*        C  34  -3.154 -12.610 -10.364
  364   1H4     C  34          1H4         C  34  -5.613 -15.902  -5.446
  365   2H4     C  34          2H4         C  34  -7.015 -16.228  -6.440
  366    H5     C  34           H5         C  34  -7.141 -15.651  -8.775
  367    H6     C  34           H6         C  34  -5.946 -14.654 -10.666
  368   1H5*    C  35          1H5*        C  35   1.974 -16.215 -12.989
  369   2H5*    C  35          2H5*        C  35   1.594 -17.875 -12.488
  370    H4*    C  35           H4*        C  35   3.014 -15.902 -11.038
  371    H3*    C  35           H3*        C  35   2.080 -18.705 -10.502
  372    H2*    C  35           H2*        C  35   2.150 -18.447  -8.201
  373   2HO*    C  35          2HO*        C  35   3.638 -17.176  -7.175
  374    H1*    C  35           H1*        C  35   1.802 -15.648  -8.026
  375   1H4     C  35          1H4         C  35  -3.479 -18.334  -5.642
  376   2H4     C  35          2H4         C  35  -4.170 -18.342  -7.248
  377    H5     C  35           H5         C  35  -2.938 -17.720  -9.219
  378    H6     C  35           H6         C  35  -0.774 -16.961 -10.080
  379   1H5*    U  36          1H5*        U  36   4.038 -22.073 -10.086
  380   2H5*    U  36          2H5*        U  36   3.087 -20.579  -9.965
  381    H4*    U  36           H4*        U  36   5.481 -20.369  -8.356
  382    H3*    U  36           H3*        U  36   3.936 -22.922  -8.055
  383    H2*    U  36           H2*        U  36   3.585 -22.626  -5.777
  384   2HO*    U  36          2HO*        U  36   5.135 -21.943  -4.518
  385    H1*    U  36           H1*        U  36   3.561 -19.837  -5.639
  386    H3     U  36           H3         U  36  -0.463 -21.475  -4.114
  387    H5     U  36           H5         U  36  -0.840 -21.152  -8.300
  388    H6     U  36           H6         U  36   1.544 -20.716  -8.415
  389   1H5*    A  37          1H5*        A  37   7.840 -25.239  -4.837
  390   2H5*    A  37          2H5*        A  37   6.761 -26.290  -5.779
  391    H4*    A  37           H4*        A  37   6.590 -25.424  -2.972
  392    H3*    A  37           H3*        A  37   6.393 -27.857  -4.277
  393    H2*    A  37           H2*        A  37   4.248 -27.669  -5.178
  394   2HO*    A  37          2HO*        A  37   2.917 -27.940  -2.838
  395    H1*    A  37           H1*        A  37   3.152 -25.999  -2.959
  396    H8     A  37           H8         A  37   3.958 -25.820  -6.777
  397   1H6     A  37          1H6         A  37  -1.851 -23.801  -7.351
  398   2H6     A  37          2H6         A  37  -0.383 -24.220  -8.204
  399    H2     A  37           H2         A  37  -1.052 -24.489  -2.980
  400   1H5*    A  38          1H5*        A  38   8.362 -28.534   0.450
  401   2H5*    A  38          2H5*        A  38   7.716 -30.120   0.923
  402    H4*    A  38           H4*        A  38   7.740 -28.491   2.794
  403    H3*    A  38           H3*        A  38   5.178 -29.715   1.841
  404    H2*    A  38           H2*        A  38   3.826 -28.299   3.103
  405   2HO*    A  38          2HO*        A  38   4.568 -28.442   5.119
  406    H1*    A  38           H1*        A  38   5.349 -25.996   3.071
  407    H8     A  38           H8         A  38   5.514 -26.808  -0.473
  408   1H6     A  38          1H6         A  38  -0.376 -25.047  -1.077
  409   2H6     A  38          2H6         A  38   1.104 -25.434  -1.925
  410    H2     A  38           H2         A  38   0.481 -25.529   3.308
  411   1H5*    G  39          1H5*        G  39   3.125 -32.922   2.736
  412   2H5*    G  39          2H5*        G  39   3.881 -31.466   2.064
  413    H4*    G  39           H4*        G  39   2.429 -30.961   4.564
  414    H3*    G  39           H3*        G  39   0.995 -32.348   2.333
  415    H2*    G  39           H2*        G  39  -0.650 -30.713   2.125
  416   2HO*    G  39          2HO*        G  39  -1.370 -29.518   3.790
  417    H1*    G  39           H1*        G  39   0.791 -28.453   2.764
  418    H8     G  39           H8         G  39   3.107 -30.168   0.478
  419    H1     G  39           H1         G  39  -1.949 -27.827  -2.672
  420   1H2     G  39          1H2         G  39  -3.536 -27.246  -1.236
  421   2H2     G  39          2H2         G  39  -3.355 -27.436   0.493
  422   1H5*    U  40          1H5*        U  40  -2.123 -31.762   5.235
  423   2H5*    U  40          2H5*        U  40  -2.903 -33.321   5.573
  424    H4*    U  40           H4*        U  40  -4.547 -31.596   4.958
  425    H3*    U  40           H3*        U  40  -4.204 -34.015   3.222
  426    H2*    U  40           H2*        U  40  -5.542 -33.177   1.502
  427   2HO*    U  40          2HO*        U  40  -6.753 -31.817   3.603
  428    H1*    U  40           H1*        U  40  -4.929 -30.501   1.657
  429    H3     U  40           H3         U  40  -3.146 -31.831  -2.307
  430    H5     U  40           H5         U  40  -0.426 -33.217   0.601
  431    H6     U  40           H6         U  40  -2.010 -32.545   2.309
  432   1H5*    C  41          1H5*        C  41  -7.752 -33.414   3.096
  433   2H5*    C  41          2H5*        C  41  -9.034 -34.526   3.616
  434    H4*    C  41           H4*        C  41  -9.559 -34.052   1.375
  435    H3*    C  41           H3*        C  41  -8.083 -36.672   1.603
  436    H2*    C  41           H2*        C  41  -7.929 -36.879  -0.704
  437   2HO*    C  41          2HO*        C  41  -9.674 -35.002  -1.593
  438    H1*    C  41           H1*        C  41  -7.978 -34.134  -1.384
  439   1H4     C  41          1H4         C  41  -2.068 -36.015  -2.761
  440   2H4     C  41          2H4         C  41  -1.698 -36.220  -1.064
  441    H5     C  41           H5         C  41  -3.319 -35.903   0.690
  442    H6     C  41           H6         C  41  -5.652 -35.344   1.193
  443   1H5*    C  42          1H5*        C  42 -11.580 -36.575  -1.058
  444   2H5*    C  42          2H5*        C  42 -12.653 -37.936  -0.674
  445    H4*    C  42           H4*        C  42 -12.568 -37.725  -3.062
  446    H3*    C  42           H3*        C  42 -11.016 -40.072  -1.972
  447    H2*    C  42           H2*        C  42 -10.251 -40.635  -4.123
  448   2HO*    C  42          2HO*        C  42 -11.216 -39.773  -6.010
  449    H1*    C  42           H1*        C  42  -9.848 -38.094  -5.093
  450   1H4     C  42          1H4         C  42  -4.097 -39.796  -2.965
  451   2H4     C  42          2H4         C  42  -4.622 -39.609  -1.307
  452    H5     C  42           H5         C  42  -6.881 -39.065  -0.692
  453    H6     C  42           H6         C  42  -9.132 -38.577  -1.527
  454   1H5*    U  43          1H5*        U  43 -12.496 -40.975  -5.531
  455   2H5*    U  43          2H5*        U  43 -13.329 -42.541  -5.614
  456    H4*    U  43           H4*        U  43 -11.534 -42.317  -7.311
  457    H3*    U  43           H3*        U  43 -11.286 -44.436  -5.186
  458    H2*    U  43           H2*        U  43  -9.137 -44.940  -5.807
  459   2HO*    U  43          2HO*        U  43 -10.281 -44.842  -8.255
  460    H1*    U  43           H1*        U  43  -8.635 -42.525  -7.343
  461    H3     U  43           H3         U  43  -4.665 -42.948  -5.275
  462    H5     U  43           H5         U  43  -7.385 -42.401  -2.098
  463    H6     U  43           H6         U  43  -9.188 -42.506  -3.719
  464    H3T    U  43           H3T        U  43 -11.417 -45.539  -7.451
  465   1H5*    G  44          1H5*        G  44  -5.059  48.140   4.013
  466   2H5*    G  44          2H5*        G  44  -6.110  46.791   3.536
  467    H4*    G  44           H4*        G  44  -5.311  47.688   1.505
  468    H3*    G  44           H3*        G  44  -3.903  45.172   2.321
  469    H2*    G  44           H2*        G  44  -2.235  45.375   0.691
  470   2HO*    G  44          2HO*        G  44  -3.109  47.513  -0.745
  471    H1*    G  44           H1*        G  44  -1.846  48.073   0.734
  472    H8     G  44           H8         G  44  -2.422  47.116   4.316
  473    H1     G  44           H1         G  44   3.441  45.553   2.272
  474   1H2     G  44          1H2         G  44   3.562  45.778   0.067
  475   2H2     G  44          2H2         G  44   2.203  46.310  -0.898
  476    H5T    G  44           H5T        G  44  -4.425  45.372   4.011
  477   1H5*    G  45          1H5*        G  45  -3.566  45.159  -1.458
  478   2H5*    G  45          2H5*        G  45  -4.201  43.731  -2.297
  479    H4*    G  45           H4*        G  45  -1.859  44.139  -2.899
  480    H3*    G  45           H3*        G  45  -2.461  41.641  -1.310
  481    H2*    G  45           H2*        G  45  -0.199  41.137  -1.143
  482   2HO*    G  45          2HO*        G  45   0.144  42.710  -3.492
  483    H1*    G  45           H1*        G  45   0.828  43.779  -1.382
  484    H8     G  45           H8         G  45  -1.548  43.464   1.528
  485    H1     G  45           H1         G  45   4.358  41.356   2.834
  486   1H2     G  45          1H2         G  45   5.541  41.216   0.970
  487   2H2     G  45          2H2         G  45   4.881  41.635  -0.595
  488   1H5*    G  46          1H5*        G  46  -0.055  40.852  -4.610
  489   2H5*    G  46          2H5*        G  46  -0.599  39.541  -5.676
  490    H4*    G  46           H4*        G  46   1.746  39.229  -5.255
  491    H3*    G  46           H3*        G  46  -0.069  37.283  -3.843
  492    H2*    G  46           H2*        G  46   1.715  36.322  -2.679
  493   2HO*    G  46          2HO*        G  46   3.715  36.192  -3.466
  494    H1*    G  46           H1*        G  46   3.278  38.582  -2.319
  495    H8     G  46           H8         G  46  -0.478  39.012  -1.617
  496    H1     G  46           H1         G  46   2.969  37.031   3.402
  497   1H2     G  46          1H2         G  46   5.041  36.580   2.762
  498   2H2     G  46          2H2         G  46   5.578  36.762   1.109
  499   1H5*    A  47          1H5*        A  47   3.265  35.573  -5.561
  500   2H5*    A  47          2H5*        A  47   3.043  34.114  -6.547
  501    H4*    A  47           H4*        A  47   4.884  33.771  -5.009
  502    H3*    A  47           H3*        A  47   2.376  32.199  -4.424
  503    H2*    A  47           H2*        A  47   3.334  31.297  -2.481
  504   2HO*    A  47          2HO*        A  47   5.717  31.682  -2.162
  505    H1*    A  47           H1*        A  47   4.794  33.507  -1.678
  506    H8     A  47           H8         A  47   1.195  34.197  -2.856
  507   1H6     A  47          1H6         A  47  -0.400  33.546   3.074
  508   2H6     A  47          2H6         A  47  -0.955  33.986   1.474
  509    H2     A  47           H2         A  47   3.943  32.450   2.684
  510   1H5*    U  48          1H5*        U  48   5.368  29.245  -3.965
  511   2H5*    U  48          2H5*        U  48   4.608  27.669  -4.266
  512    H4*    U  48           H4*        U  48   5.328  28.350  -1.835
  513    H3*    U  48           H3*        U  48   2.798  26.947  -2.673
  514    H2*    U  48           H2*        U  48   1.821  27.188  -0.591
  515   2HO*    U  48          2HO*        U  48   2.925  26.557   1.068
  516    H1*    U  48           H1*        U  48   3.262  29.459   0.321
  517    H3     U  48           H3         U  48  -1.108  30.533   0.956
  518    H5     U  48           H5         U  48  -0.478  30.943  -3.192
  519    H6     U  48           H6         U  48   1.699  29.920  -2.897
  520   1H5*    A  49          1H5*        A  49   7.321  23.229  -1.711
  521   2H5*    A  49          2H5*        A  49   5.590  23.437  -1.378
  522    H4*    A  49           H4*        A  49   7.512  24.093   0.815
  523    H3*    A  49           H3*        A  49   7.812  21.579  -0.362
  524    H2*    A  49           H2*        A  49   5.730  20.665   0.185
  525   2HO*    A  49          2HO*        A  49   5.966  19.433   1.954
  526    H1*    A  49           H1*        A  49   5.499  22.213   2.743
  527    H8     A  49           H8         A  49   3.620  21.959  -0.674
  528   1H6     A  49          1H6         A  49  -1.349  20.757   2.804
  529   2H6     A  49          2H6         A  49  -0.761  20.966   1.170
  530    H2     A  49           H2         A  49   2.164  21.307   5.547
  531   1H5*    U  50          1H5*        U  50   9.578  21.333   4.882
  532   2H5*    U  50          2H5*        U  50   9.784  19.577   4.716
  533    H4*    U  50           H4*        U  50   8.691  19.608   6.722
  534    H3*    U  50           H3*        U  50   6.959  18.844   4.710
  535    H2*    U  50           H2*        U  50   5.794  20.876   4.466
  536   2HO*    U  50          2HO*        U  50   3.884  20.715   5.573
  537    H1*    U  50           H1*        U  50   5.906  21.464   7.411
  538    H3     U  50           H3         U  50   7.372  25.945   6.044
  539    H5     U  50           H5         U  50   3.774  24.705   4.232
  540    H6     U  50           H6         U  50   4.240  22.450   5.000
  541   1H5*    G  51          1H5*        G  51   3.810  19.372   6.858
  542   2H5*    G  51          2H5*        G  51   3.269  19.074   8.523
  543    H4*    G  51           H4*        G  51   1.361  18.139   7.820
  544    H3*    G  51           H3*        G  51   3.161  16.423   6.127
  545    H2*    G  51           H2*        G  51   1.482  15.983   4.575
  546   2HO*    G  51          2HO*        G  51  -0.299  15.325   5.482
  547    H1*    G  51           H1*        G  51   0.066  18.373   4.727
  548    H8     G  51           H8         G  51   3.810  18.940   4.400
  549    H1     G  51           H1         G  51   0.890  17.836  -1.186
  550   1H2     G  51          1H2         G  51  -1.203  17.216  -0.845
  551   2H2     G  51          2H2         G  51  -1.888  17.065   0.754
  552   1H5*    G  52          1H5*        G  52   2.371  12.018   5.839
  553   2H5*    G  52          2H5*        G  52   3.316  12.779   4.543
  554    H4*    G  52           H4*        G  52   0.374  12.155   4.650
  555    H3*    G  52           H3*        G  52   2.667  11.477   2.864
  556    H2*    G  52           H2*        G  52   1.530  11.918   0.871
  557   2HO*    G  52          2HO*        G  52  -0.320  10.683   1.356
  558    H1*    G  52           H1*        G  52   0.035  14.069   1.593
  559    H8     G  52           H8         G  52   3.135  14.876   3.396
  560    H1     G  52           H1         G  52   3.940  15.427  -2.929
  561   1H2     G  52          1H2         G  52   2.231  14.476  -3.995
  562   2H2     G  52          2H2         G  52   0.907  13.709  -3.151
  563   1H5*    A  53          1H5*        A  53   0.098   8.251   1.663
  564   2H5*    A  53          2H5*        A  53   1.064   6.776   1.465
  565    H4*    A  53           H4*        A  53   0.104   7.804  -0.661
  566    H3*    A  53           H3*        A  53   3.053   7.212  -0.344
  567    H2*    A  53           H2*        A  53   3.472   8.081  -2.473
  568   2HO*    A  53          2HO*        A  53   1.811   6.797  -3.474
  569    H1*    A  53           H1*        A  53   1.442  10.028  -2.503
  570    H8     A  53           H8         A  53   3.278  10.621   0.655
  571   1H6     A  53          1H6         A  53   7.775  13.299  -2.623
  572   2H6     A  53          2H6         A  53   7.137  13.018  -1.018
  573    H2     A  53           H2         A  53   5.031  11.204  -5.499
  574   1H5*    A  54          1H5*        A  54   1.503   4.884  -3.849
  575   2H5*    A  54          2H5*        A  54   2.375   3.343  -3.975
  576    H4*    A  54           H4*        A  54   2.408   4.789  -6.052
  577    H3*    A  54           H3*        A  54   4.952   3.845  -4.727
  578    H2*    A  54           H2*        A  54   6.249   5.012  -6.315
  579   2HO*    A  54          2HO*        A  54   5.483   5.646  -8.279
  580    H1*    A  54           H1*        A  54   4.718   7.280  -6.466
  581    H8     A  54           H8         A  54   4.701   6.288  -2.841
  582   1H6     A  54          1H6         A  54  10.208   9.041  -2.337
  583   2H6     A  54          2H6         A  54   8.874   8.324  -1.462
  584    H2     A  54           H2         A  54   9.203   8.753  -6.708
  585   1H5*    G  55          1H5*        G  55   5.616   1.905  -8.649
  586   2H5*    G  55          2H5*        G  55   6.428   0.375  -8.265
  587    H4*    G  55           H4*        G  55   7.810   1.983  -9.614
  588    H3*    G  55           H3*        G  55   8.820   1.112  -6.890
  589    H2*    G  55           H2*        G  55  10.781   2.365  -7.291
  590   2HO*    G  55          2HO*        G  55  11.543   2.016  -9.238
  591    H1*    G  55           H1*        G  55   9.551   4.470  -8.639
  592    H8     G  55           H8         G  55   7.626   3.532  -5.505
  593    H1     G  55           H1         G  55  12.719   7.233  -4.354
  594   1H2     G  55          1H2         G  55  13.957   7.412  -6.189
  595   2H2     G  55          2H2         G  55  13.531   6.623  -7.689
  596   1H5*    A  56          1H5*        A  56  11.761   0.195  -9.569
  597   2H5*    A  56          2H5*        A  56  12.601  -1.351  -9.326
  598    H4*    A  56           H4*        A  56  14.156   0.572  -9.311
  599    H3*    A  56           H3*        A  56  13.846  -1.015  -6.757
  600    H2*    A  56           H2*        A  56  15.293   0.430  -5.650
  601   2HO*    A  56          2HO*        A  56  17.004   0.182  -7.137
  602    H1*    A  56           H1*        A  56  14.805   2.746  -7.220
  603    H8     A  56           H8         A  56  11.679   1.296  -5.619
  604   1H6     A  56          1H6         A  56  13.068   4.709  -0.662
  605   2H6     A  56          2H6         A  56  11.856   3.702  -1.422
  606    H2     A  56           H2         A  56  16.570   4.870  -3.479
  607   1H5*    A  57          1H5*        A  57  18.322  -1.396  -7.981
  608   2H5*    A  57          2H5*        A  57  18.715  -3.079  -7.576
  609    H4*    A  57           H4*        A  57  20.353  -1.541  -6.605
  610    H3*    A  57           H3*        A  57  18.562  -3.023  -4.674
  611    H2*    A  57           H2*        A  57  19.591  -1.936  -2.855
  612   2HO*    A  57          2HO*        A  57  21.693  -1.612  -4.682
  613    H1*    A  57           H1*        A  57  19.884   0.552  -4.008
  614    H8     A  57           H8         A  57  16.537  -1.157  -4.779
  615   1H6     A  57          1H6         A  57  14.420   1.600   0.323
  616   2H6     A  57          2H6         A  57  13.994   0.645  -1.078
  617    H2     A  57           H2         A  57  18.854   2.318   0.103
  618   1H5*    C  58          1H5*        C  58  22.356  -3.806  -3.029
  619   2H5*    C  58          2H5*        C  58  22.512  -5.543  -2.700
  620    H4*    C  58           H4*        C  58  22.922  -4.320  -0.655
  621    H3*    C  58           H3*        C  58  20.270  -5.775  -0.723
  622    H2*    C  58           H2*        C  58  19.749  -4.945   1.398
  623   2HO*    C  58          2HO*        C  58  21.995  -3.821   2.288
  624    H1*    C  58           H1*        C  58  21.128  -2.499   1.205
  625   1H4     C  58          1H4         C  58  14.971  -0.954   0.869
  626   2H4     C  58          2H4         C  58  14.829  -1.700  -0.707
  627    H5     C  58           H5         C  58  16.644  -2.864  -1.784
  628    H6     C  58           H6         C  58  18.974  -3.595  -1.567
  629   1H5*    C  59          1H5*        C  59  22.311  -6.483   2.946
  630   2H5*    C  59          2H5*        C  59  21.968  -8.091   3.615
  631    H4*    C  59           H4*        C  59  21.376  -6.194   5.143
  632    H3*    C  59           H3*        C  59  19.215  -8.098   4.217
  633    H2*    C  59           H2*        C  59  17.631  -6.900   5.463
  634   2HO*    C  59          2HO*        C  59  19.879  -5.969   6.925
  635    H1*    C  59           H1*        C  59  18.755  -4.357   5.143
  636   1H4     C  59          1H4         C  59  13.739  -4.384   1.244
  637   2H4     C  59          2H4         C  59  14.536  -5.503   0.158
  638    H5     C  59           H5         C  59  16.709  -6.458   0.607
  639    H6     C  59           H6         C  59  18.559  -6.578   2.214
  640   1H5*    G  60          1H5*        G  60  19.430  -8.040   8.823
  641   2H5*    G  60          2H5*        G  60  19.548  -9.763   9.228
  642    H4*    G  60           H4*        G  60  18.023  -8.812  10.786
  643    H3*    G  60           H3*        G  60  16.616 -10.350   8.598
  644    H2*    G  60           H2*        G  60  14.526  -9.763   9.492
  645   2HO*    G  60          2HO*        G  60  15.410  -8.547  11.815
  646    H1*    G  60           H1*        G  60  15.145  -7.192  10.307
  647    H8     G  60           H8         G  60  16.505  -8.126   6.856
  648    H1     G  60           H1         G  60  10.505  -5.894   6.780
  649   1H2     G  60          1H2         G  60   9.744  -5.692   8.858
  650   2H2     G  60          2H2         G  60  10.711  -6.102  10.257
  651   1H5*    G  61          1H5*        G  61  14.421 -10.674  12.119
  652   2H5*    G  61          2H5*        G  61  14.313 -12.397  12.526
  653    H4*    G  61           H4*        G  61  12.115 -11.338  12.682
  654    H3*    G  61           H3*        G  61  12.500 -13.347  10.461
  655    H2*    G  61           H2*        G  61  10.382 -12.906   9.615
  656   2HO*    G  61          2HO*        G  61   9.216 -11.530  11.650
  657    H1*    G  61           H1*        G  61  10.108 -10.239  10.553
  658    H8     G  61           H8         G  61  13.139 -10.983   8.347
  659    H1     G  61           H1         G  61   7.859  -9.460   5.074
  660   1H2     G  61          1H2         G  61   6.113  -9.358   6.446
  661   2H2     G  61          2H2         G  61   6.248  -9.667   8.163
  662   1H5*    G  62          1H5*        G  62   8.518 -13.704  12.274
  663   2H5*    G  62          2H5*        G  62   8.290 -15.431  12.612
  664    H4*    G  62           H4*        G  62   6.370 -14.435  11.405
  665    H3*    G  62           H3*        G  62   7.969 -16.599  10.033
  666    H2*    G  62           H2*        G  62   6.703 -16.374   8.091
  667   2HO*    G  62          2HO*        G  62   4.595 -15.989   8.115
  668    H1*    G  62           H1*        G  62   5.990 -13.649   8.384
  669    H8     G  62           H8         G  62   9.712 -14.631   8.451
  670    H1     G  62           H1         G  62   7.439 -13.159   2.650
  671   1H2     G  62          1H2         G  62   5.236 -12.898   2.741
  672   2H2     G  62          2H2         G  62   4.330 -13.083   4.225
  673   1H5*    G  63          1H5*        G  63   6.810 -20.521   8.882
  674   2H5*    G  63          2H5*        G  63   7.528 -18.898   8.962
  675    H4*    G  63           H4*        G  63   4.784 -19.155   7.800
  676    H3*    G  63           H3*        G  63   7.247 -20.294   6.506
  677    H2*    G  63           H2*        G  63   6.850 -19.176   4.486
  678   2HO*    G  63          2HO*        G  63   4.227 -19.390   5.314
  679    H1*    G  63           H1*        G  63   5.841 -16.813   5.462
  680    H8     G  63           H8         G  63   8.630 -17.368   7.794
  681    H1     G  63           H1         G  63  10.796 -16.025   1.925
  682   1H2     G  63          1H2         G  63   9.152 -16.157   0.458
  683   2H2     G  63          2H2         G  63   7.517 -16.580   0.915
  684   1H5*    A  64          1H5*        A  64   7.629 -24.406   5.813
  685   2H5*    A  64          2H5*        A  64   8.538 -22.941   5.388
  686    H4*    A  64           H4*        A  64   8.754 -24.987   3.836
  687    H3*    A  64           H3*        A  64   8.308 -22.154   3.006
  688    H2*    A  64           H2*        A  64   7.724 -22.666   0.803
  689   2HO*    A  64          2HO*        A  64   8.871 -24.093  -0.215
  690    H1*    A  64           H1*        A  64   6.366 -25.010   1.158
  691    H8     A  64           H8         A  64   5.563 -22.538   3.951
  692   1H6     A  64          1H6         A  64   1.125 -20.358   0.259
  693   2H6     A  64          2H6         A  64   1.820 -20.302   1.863
  694    H2     A  64           H2         A  64   3.586 -23.270  -2.120
  695   1H5*    A  65          1H5*        A  65  11.223 -20.144   0.282
  696   2H5*    A  65          2H5*        A  65   9.840 -19.165   0.809
  697    H4*    A  65           H4*        A  65  10.193 -20.828  -1.610
  698    H3*    A  65           H3*        A  65   8.828 -18.279  -0.884
  699    H2*    A  65           H2*        A  65   6.890 -18.673  -2.114
  700   2HO*    A  65          2HO*        A  65   7.982 -20.859  -3.518
  701    H1*    A  65           H1*        A  65   6.592 -21.358  -1.828
  702    H8     A  65           H8         A  65   7.662 -20.617   1.587
  703   1H6     A  65          1H6         A  65   2.147 -18.064   2.680
  704   2H6     A  65          2H6         A  65   3.618 -18.672   3.405
  705    H2     A  65           H2         A  65   2.578 -18.577  -1.765
  706   1H5*    A  66          1H5*        A  66   8.966 -16.299  -5.807
  707   2H5*    A  66          2H5*        A  66   8.871 -15.010  -4.591
  708    H4*    A  66           H4*        A  66   6.877 -15.781  -6.407
  709    H3*    A  66           H3*        A  66   7.047 -13.887  -4.102
  710    H2*    A  66           H2*        A  66   4.749 -13.893  -3.656
  711   2HO*    A  66          2HO*        A  66   4.588 -14.557  -6.367
  712    H1*    A  66           H1*        A  66   4.142 -16.492  -4.142
  713    H8     A  66           H8         A  66   7.589 -16.216  -2.538
  714   1H6     A  66          1H6         A  66   4.661 -16.418   2.899
  715   2H6     A  66          2H6         A  66   6.224 -16.476   2.106
  716    H2     A  66           H2         A  66   1.556 -15.998  -0.347
  717   1H5*    C  67          1H5*        C  67   4.374 -12.398  -5.565
  718   2H5*    C  67          2H5*        C  67   4.206 -10.650  -5.829
  719    H4*    C  67           H4*        C  67   2.699 -11.303  -4.066
  720    H3*    C  67           H3*        C  67   5.125  -9.769  -3.115
  721    H2*    C  67           H2*        C  67   4.389  -9.956  -0.890
  722   2HO*    C  67          2HO*        C  67   1.860 -10.494  -2.057
  723    H1*    C  67           H1*        C  67   3.343 -12.515  -1.045
  724   1H4     C  67          1H4         C  67   9.093 -13.316   1.551
  725   2H4     C  67          2H4         C  67   9.868 -12.997   0.016
  726    H5     C  67           H5         C  67   8.657 -12.359  -1.967
  727    H6     C  67           H6         C  67   6.442 -11.901  -2.909
  728   1H5*    U  68          1H5*        U  68   2.056  -8.542  -1.085
  729   2H5*    U  68          2H5*        U  68   1.800  -6.790  -0.965
  730    H4*    U  68           H4*        U  68   1.845  -7.841   1.253
  731    H3*    U  68           H3*        U  68   4.117  -5.960   0.586
  732    H2*    U  68           H2*        U  68   5.089  -6.367   2.683
  733   2HO*    U  68          2HO*        U  68   3.255  -7.802   4.003
  734    H1*    U  68           H1*        U  68   4.297  -9.040   2.960
  735    H3     U  68           H3         U  68   8.819  -9.286   2.988
  736    H5     U  68           H5         U  68   7.844  -8.517  -1.039
  737    H6     U  68           H6         U  68   5.543  -8.187  -0.350
  738   1H5*    U  69          1H5*        U  69   2.574  -5.212   4.021
  739   2H5*    U  69          2H5*        U  69   1.971  -3.628   4.552
  740    H4*    U  69           H4*        U  69   3.369  -4.310   6.306
  741    H3*    U  69           H3*        U  69   4.945  -2.522   4.440
  742    H2*    U  69           H2*        U  69   6.831  -2.816   5.788
  743   2HO*    U  69          2HO*        U  69   5.297  -3.954   7.878
  744    H1*    U  69           H1*        U  69   6.307  -5.448   6.597
  745    H3     U  69           H3         U  69  10.221  -5.994   4.429
  746    H5     U  69           H5         U  69   7.591  -4.733   1.391
  747    H6     U  69           H6         U  69   5.889  -4.409   3.088
  748   1H5*    G  70          1H5*        G  70   5.731  -1.479   8.110
  749   2H5*    G  70          2H5*        G  70   5.961   0.243   8.472
  750    H4*    G  70           H4*        G  70   7.984  -0.984   9.014
  751    H3*    G  70           H3*        G  70   8.233   0.763   6.548
  752    H2*    G  70           H2*        G  70  10.447   0.055   6.325
  753   2HO*    G  70          2HO*        G  70  10.749  -1.103   8.827
  754    H1*    G  70           H1*        G  70  10.116  -2.479   7.581
  755    H8     G  70           H8         G  70   8.034  -1.607   4.451
  756    H1     G  70           H1         G  70  13.650  -4.455   3.295
  757   1H2     G  70          1H2         G  70  14.813  -4.620   5.179
  758   2H2     G  70          2H2         G  70  14.203  -4.034   6.710
  759   1H5*    G  71          1H5*        G  71  11.130   2.131  10.118
  760   2H5*    G  71          2H5*        G  71  11.178   3.892   9.895
  761    H4*    G  71           H4*        G  71  13.422   3.040  10.308
  762    H3*    G  71           H3*        G  71  12.888   4.065   7.515
  763    H2*    G  71           H2*        G  71  15.081   3.507   6.864
  764   2HO*    G  71          2HO*        G  71  15.585   3.932   9.522
  765    H1*    G  71           H1*        G  71  15.301   1.132   8.237
  766    H8     G  71           H8         G  71  11.869   1.683   6.620
  767    H1     G  71           H1         G  71  16.224  -0.910   2.707
  768   1H2     G  71          1H2         G  71  18.214  -0.928   3.697
  769   2H2     G  71          2H2         G  71  18.472  -0.288   5.303
  770   1H5*    U  72          1H5*        U  72  16.690   6.054   8.664
  771   2H5*    U  72          2H5*        U  72  16.451   7.753   8.209
  772    H4*    U  72           H4*        U  72  18.531   6.790   7.261
  773    H3*    U  72           H3*        U  72  16.363   7.710   5.368
  774    H2*    U  72           H2*        U  72  17.593   6.970   3.525
  775   2HO*    U  72          2HO*        U  72  19.756   7.507   5.204
  776    H1*    U  72           H1*        U  72  18.892   4.800   4.738
  777    H3     U  72           H3         U  72  16.544   2.835   1.401
  778    H5     U  72           H5         U  72  13.598   4.002   4.182
  779    H6     U  72           H6         U  72  15.330   5.147   5.439
  780   1H5*    U  73          1H5*        U  73  20.158   9.469   3.918
  781   2H5*    U  73          2H5*        U  73  19.792  11.135   3.430
  782    H4*    U  73           H4*        U  73  20.911   9.849   1.635
  783    H3*    U  73           H3*        U  73  18.066  10.758   1.130
  784    H2*    U  73           H2*        U  73  18.176   9.804  -1.025
  785   2HO*    U  73          2HO*        U  73  20.466   8.897  -1.554
  786    H1*    U  73           H1*        U  73  19.624   7.551  -0.334
  787    H3     U  73           H3         U  73  15.570   5.890  -1.462
  788    H5     U  73           H5         U  73  14.901   7.774   2.250
  789    H6     U  73           H6         U  73  17.174   8.620   2.153
  790   1H5*    C  74          1H5*        C  74  20.038  11.353  -2.088
  791   2H5*    C  74          2H5*        C  74  19.930  12.952  -2.850
  792    H4*    C  74           H4*        C  74  19.373  11.368  -4.529
  793    H3*    C  74           H3*        C  74  16.830  12.594  -3.409
  794    H2*    C  74           H2*        C  74  15.646  11.332  -5.017
  795   2HO*    C  74          2HO*        C  74  18.078  11.446  -6.380
  796    H1*    C  74           H1*        C  74  17.318   9.077  -4.924
  797   1H4     C  74          1H4         C  74  12.179   7.359  -1.604
  798   2H4     C  74          2H4         C  74  12.581   8.483  -0.323
  799    H5     C  74           H5         C  74  14.473   9.975  -0.421
  800    H6     C  74           H6         C  74  16.358  10.743  -1.786
  801   1H5*    U  75          1H5*        U  75  17.196  13.548  -7.371
  802   2H5*    U  75          2H5*        U  75  16.332  14.918  -8.098
  803    H4*    U  75           H4*        U  75  15.441  12.709  -8.824
  804    H3*    U  75           H3*        U  75  13.589  14.503  -7.226
  805    H2*    U  75           H2*        U  75  11.918  12.878  -7.436
  806   2HO*    U  75          2HO*        U  75  12.841  11.149  -9.244
  807    H1*    U  75           H1*        U  75  13.668  10.638  -7.614
  808    H3     U  75           H3         U  75  10.933   9.387  -4.250
  809    H5     U  75           H5         U  75  13.119  12.601  -2.626
  810    H6     U  75           H6         U  75  14.090  12.963  -4.819
  811   1H5*    U  76          1H5*        U  76  11.963  13.838 -11.018
  812   2H5*    U  76          2H5*        U  76  11.411  15.244 -11.953
  813    H4*    U  76           H4*        U  76   9.624  13.693 -12.029
  814    H3*    U  76           H3*        U  76   9.133  15.869  -9.999
  815    H2*    U  76           H2*        U  76   7.157  14.844  -9.286
  816   2HO*    U  76          2HO*        U  76   7.203  13.666 -11.852
  817    H1*    U  76           H1*        U  76   7.910  12.188  -9.628
  818    H3     U  76           H3         U  76   7.329  12.391  -5.156
  819    H5     U  76           H5         U  76  10.773  14.725  -5.827
  820    H6     U  76           H6         U  76  10.409  14.459  -8.211
  821   1H5*    C  77          1H5*        C  77   4.257  17.662 -11.508
  822   2H5*    C  77          2H5*        C  77   5.288  17.496 -10.073
  823    H4*    C  77           H4*        C  77   3.494  15.293 -11.141
  824    H3*    C  77           H3*        C  77   2.897  17.515  -9.221
  825    H2*    C  77           H2*        C  77   2.109  16.103  -7.558
  826   2HO*    C  77          2HO*        C  77   1.296  14.603  -9.750
  827    H1*    C  77           H1*        C  77   3.573  13.789  -8.130
  828   1H4     C  77          1H4         C  77   6.057  16.336  -2.826
  829   2H4     C  77          2H4         C  77   7.268  17.116  -3.818
  830    H5     C  77           H5         C  77   7.204  17.109  -6.225
  831    H6     C  77           H6         C  77   5.977  16.339  -8.201
  832   1H5*    C  78          1H5*        C  78  -1.887  15.854  -9.356
  833   2H5*    C  78          2H5*        C  78  -2.272  17.582  -9.476
  834    H4*    C  78           H4*        C  78  -3.173  16.143  -7.461
  835    H3*    C  78           H3*        C  78  -2.089  18.955  -7.358
  836    H2*    C  78           H2*        C  78  -2.127  18.973  -5.035
  837   2HO*    C  78          2HO*        C  78  -4.443  17.743  -5.431
  838    H1*    C  78           H1*        C  78  -1.833  16.194  -4.577
  839   1H4     C  78          1H4         C  78   3.636  18.779  -2.589
  840   2H4     C  78          2H4         C  78   4.155  18.995  -4.245
  841    H5     C  78           H5         C  78   2.755  18.506  -6.142
  842    H6     C  78           H6         C  78   0.556  17.704  -6.864
  843   1H5*    U  79          1H5*        U  79  -5.571  21.993  -6.085
  844   2H5*    U  79          2H5*        U  79  -4.034  22.601  -5.434
  845    H4*    U  79           H4*        U  79  -6.107  20.859  -4.151
  846    H3*    U  79           H3*        U  79  -4.586  23.339  -3.435
  847    H2*    U  79           H2*        U  79  -4.218  22.690  -1.226
  848   2HO*    U  79          2HO*        U  79  -6.484  22.179  -0.904
  849    H1*    U  79           H1*        U  79  -3.970  19.964  -1.536
  850    H3     U  79           H3         U  79   0.047  21.766  -0.178
  851    H5     U  79           H5         U  79   0.047  21.928  -4.392
  852    H6     U  79           H6         U  79  -2.298  21.306  -4.348
  853   1H5*    A  80          1H5*        A  80  -7.985  24.485  -0.097
  854   2H5*    A  80          2H5*        A  80  -7.687  26.167  -0.575
  855    H4*    A  80           H4*        A  80  -6.954  24.938   1.834
  856    H3*    A  80           H3*        A  80  -7.028  27.549   0.940
  857    H2*    A  80           H2*        A  80  -4.927  27.695  -0.076
  858   2HO*    A  80          2HO*        A  80  -3.487  27.784   2.201
  859    H1*    A  80           H1*        A  80  -3.555  25.858   1.834
  860    H8     A  80           H8         A  80  -4.594  25.924  -1.932
  861   1H6     A  80          1H6         A  80   1.399  24.916  -3.034
  862   2H6     A  80          2H6         A  80  -0.178  25.143  -3.756
  863    H2     A  80           H2         A  80   0.836  25.162   1.418
  864   1H5*    A  81          1H5*        A  81  -8.377  26.493   5.825
  865   2H5*    A  81          2H5*        A  81  -8.606  28.128   6.477
  866    H4*    A  81           H4*        A  81  -7.579  26.803   8.192
  867    H3*    A  81           H3*        A  81  -5.784  28.818   6.874
  868    H2*    A  81           H2*        A  81  -3.866  27.993   7.889
  869   2HO*    A  81          2HO*        A  81  -5.326  26.551   9.834
  870    H1*    A  81           H1*        A  81  -4.605  25.308   8.212
  871    H8     A  81           H8         A  81  -5.191  26.126   4.626
  872   1H6     A  81          1H6         A  81   0.871  25.371   3.698
  873   2H6     A  81          2H6         A  81  -0.690  25.554   2.928
  874    H2     A  81           H2         A  81   0.155  25.499   8.133
  875   1H5*    G  82          1H5*        G  82  -3.728  31.605  11.122
  876   2H5*    G  82          2H5*        G  82  -3.684  31.506   9.349
  877    H4*    G  82           H4*        G  82  -2.558  29.504  11.334
  878    H3*    G  82           H3*        G  82  -1.320  31.551   9.519
  879    H2*    G  82           H2*        G  82   0.296  30.069   8.715
  880   2HO*    G  82          2HO*        G  82   0.743  28.073   9.858
  881    H1*    G  82           H1*        G  82  -1.159  27.726   8.722
  882    H8     G  82           H8         G  82  -3.556  30.118   7.252
  883    H1     G  82           H1         G  82   1.198  28.757   3.185
  884   1H2     G  82          1H2         G  82   2.842  27.725   4.258
  885   2H2     G  82          2H2         G  82   2.771  27.372   5.970
  886   1H5*    U  83          1H5*        U  83   2.161  30.575  11.847
  887   2H5*    U  83          2H5*        U  83   2.878  32.095  12.415
  888    H4*    U  83           H4*        U  83   4.461  30.742  11.076
  889    H3*    U  83           H3*        U  83   3.629  33.466  10.102
  890    H2*    U  83           H2*        U  83   4.761  33.205   8.076
  891   2HO*    U  83          2HO*        U  83   6.427  31.654   7.810
  892    H1*    U  83           H1*        U  83   4.406  30.482   7.701
  893    H3     U  83           H3         U  83   2.188  32.542   4.284
  894    H5     U  83           H5         U  83  -0.408  32.816   7.595
  895    H6     U  83           H6         U  83   1.384  31.957   8.989
  896   1H5*    C  84          1H5*        C  84   7.538  33.162   9.722
  897   2H5*    C  84          2H5*        C  84   8.647  34.373  10.396
  898    H4*    C  84           H4*        C  84   9.221  34.137   8.096
  899    H3*    C  84           H3*        C  84   7.623  36.639   8.650
  900    H2*    C  84           H2*        C  84   7.559  37.162   6.376
  901   2HO*    C  84          2HO*        C  84   9.132  36.634   4.976
  902    H1*    C  84           H1*        C  84   7.552  34.555   5.351
  903   1H4     C  84          1H4         C  84   1.593  36.618   4.552
  904   2H4     C  84          2H4         C  84   1.299  36.546   6.274
  905    H5     C  84           H5         C  84   2.994  35.954   7.880
  906    H6     C  84           H6         C  84   5.344  35.323   8.183
  907   1H5*    C  85          1H5*        C  85  10.566  37.063   6.100
  908   2H5*    C  85          2H5*        C  85  11.886  38.197   6.447
  909    H4*    C  85           H4*        C  85  11.425  38.451   4.140
  910    H3*    C  85           H3*        C  85  10.189  40.661   5.782
  911    H2*    C  85           H2*        C  85   9.177  41.580   3.866
  912   2HO*    C  85          2HO*        C  85   9.869  40.424   1.745
  913    H1*    C  85           H1*        C  85   8.478  39.236   2.613
  914   1H4     C  85          1H4         C  85   3.204  40.840   5.793
  915   2H4     C  85          2H4         C  85   3.946  40.391   7.311
  916    H5     C  85           H5         C  85   6.230  39.667   7.500
  917    H6     C  85           H6         C  85   8.306  39.219   6.279
  918   1H5*    U  86          1H5*        U  86  11.256  42.029   2.272
  919   2H5*    U  86          2H5*        U  86  12.094  43.593   2.255
  920    H4*    U  86           H4*        U  86  10.018  43.542   0.864
  921    H3*    U  86           H3*        U  86  10.314  45.475   3.140
  922    H2*    U  86           H2*        U  86   8.091  45.998   3.160
  923   2HO*    U  86          2HO*        U  86   8.129  47.129   1.258
  924    H1*    U  86           H1*        U  86   7.239  43.872   1.318
  925    H3     U  86           H3         U  86   3.556  44.079   3.893
  926    H5     U  86           H5         U  86   6.604  42.990   6.598
  927    H6     U  86           H6         U  86   8.209  43.305   4.805
  928    H3T    U  86           H3T        U  86  11.287  46.336   1.482
  929   1HN1  NCO 101          1HN1      NCO 101 -14.945  10.495   5.892
  930   2HN1  NCO 101          2HN1      NCO 101 -14.411   8.968   5.644
  931   3HN1  NCO 101          3HN1      NCO 101 -13.952   9.788   6.983
  932   1HN2  NCO 101          1HN2      NCO 101 -13.512  12.654   4.005
  933   2HN2  NCO 101          2HN2      NCO 101 -12.982  12.993   5.517
  934   3HN2  NCO 101          3HN2      NCO 101 -14.425  12.251   5.302
  935   1HN3  NCO 101          1HN3      NCO 101 -14.304  10.578   3.224
  936   2HN3  NCO 101          2HN3      NCO 101 -12.829  10.290   2.575
  937   3HN3  NCO 101          3HN3      NCO 101 -13.637   9.087   3.336
  938   1HN4  NCO 101          1HN4      NCO 101 -10.765   8.915   4.925
  939   2HN4  NCO 101          2HN4      NCO 101 -11.858   8.440   6.047
  940   3HN4  NCO 101          3HN4      NCO 101 -12.164   8.208   4.456
  941   1HN5  NCO 101          1HN5      NCO 101 -10.857  10.685   6.801
  942   2HN5  NCO 101          2HN5      NCO 101 -12.337  10.706   7.501
  943   3HN5  NCO 101          3HN5      NCO 101 -11.733  12.069   6.821
  944   1HN6  NCO 101          1HN6      NCO 101 -10.785  12.184   4.470
  945   2HN6  NCO 101          2HN6      NCO 101 -10.297  10.666   4.093
  946   3HN6  NCO 101          3HN6      NCO 101 -11.320  11.470   3.097
  947   1HN1  NCO 102          1HN1      NCO 102 -11.398 -16.306  -2.162
  948   2HN1  NCO 102          2HN1      NCO 102 -10.724 -16.449  -0.677
  949   3HN1  NCO 102          3HN1      NCO 102 -10.366 -17.538  -1.847
  950   1HN2  NCO 102          1HN2      NCO 102  -7.537 -16.168  -0.395
  951   2HN2  NCO 102          2HN2      NCO 102  -8.047 -14.638  -0.106
  952   3HN2  NCO 102          3HN2      NCO 102  -9.035 -15.906   0.209
  953   1HN3  NCO 102          1HN3      NCO 102 -10.952 -14.115  -1.347
  954   2HN3  NCO 102          2HN3      NCO 102  -9.555 -13.303  -1.084
  955   3HN3  NCO 102          3HN3      NCO 102 -10.240 -13.292  -2.571
  956   1HN4  NCO 102          1HN4      NCO 102  -9.291 -16.000  -4.644
  957   2HN4  NCO 102          2HN4      NCO 102 -10.760 -15.627  -4.025
  958   3HN4  NCO 102          3HN4      NCO 102  -9.705 -14.435  -4.405
  959   1HN5  NCO 102          1HN5      NCO 102  -7.259 -16.824  -3.273
  960   2HN5  NCO 102          2HN5      NCO 102  -7.756 -17.542  -1.888
  961   3HN5  NCO 102          3HN5      NCO 102  -8.653 -17.681  -3.251
  962   1HN6  NCO 102          1HN6      NCO 102  -7.801 -13.738  -3.543
  963   2HN6  NCO 102          2HN6      NCO 102  -6.762 -14.904  -3.049
  964   3HN6  NCO 102          3HN6      NCO 102  -7.254 -13.747  -1.999
  965   1HN1  NCO 103          1HN1      NCO 103  15.120  -9.180   0.670
  966   2HN1  NCO 103          2HN1      NCO 103  14.795 -10.110  -0.640
  967   3HN1  NCO 103          3HN1      NCO 103  15.914 -10.595   0.454
  968   1HN2  NCO 103          1HN2      NCO 103  12.242  -9.179   2.195
  969   2HN2  NCO 103          2HN2      NCO 103  13.462  -9.463   3.251
  970   3HN2  NCO 103          3HN2      NCO 103  13.751  -8.634   1.868
  971   1HN3  NCO 103          1HN3      NCO 103  15.805 -11.001   2.559
  972   2HN3  NCO 103          2HN3      NCO 103  15.147 -12.492   2.718
  973   3HN3  NCO 103          3HN3      NCO 103  14.599 -11.251   3.636
  974   1HN4  NCO 103          1HN4      NCO 103  13.845 -13.512   1.002
  975   2HN4  NCO 103          2HN4      NCO 103  13.527 -12.785  -0.431
  976   3HN4  NCO 103          3HN4      NCO 103  15.041 -12.743   0.191
  977   1HN5  NCO 103          1HN5      NCO 103  12.205 -11.404  -0.651
  978   2HN5  NCO 103          2HN5      NCO 103  12.678  -9.837  -0.582
  979   3HN5  NCO 103          3HN5      NCO 103  11.460 -10.367   0.374
  980   1HN6  NCO 103          1HN6      NCO 103  12.360 -11.774   3.371
  981   2HN6  NCO 103          2HN6      NCO 103  11.335 -11.662   2.100
  982   3HN6  NCO 103          3HN6      NCO 103  12.308 -12.970   2.255
  983   1HN1  NCO 104          1HN1      NCO 104   9.726  17.484  -1.808
  984   2HN1  NCO 104          2HN1      NCO 104   8.193  17.629  -1.254
  985   3HN1  NCO 104          3HN1      NCO 104   9.409  18.442  -0.519
  986   1HN2  NCO 104          1HN2      NCO 104   9.423  14.371  -1.614
  987   2HN2  NCO 104          2HN2      NCO 104   8.187  15.424  -1.826
  988   3HN2  NCO 104          3HN2      NCO 104   8.057  14.220  -0.723
  989   1HN3  NCO 104          1HN3      NCO 104   7.738  16.777   1.879
  990   2HN3  NCO 104          2HN3      NCO 104   7.122  16.917   0.367
  991   3HN3  NCO 104          3HN3      NCO 104   7.198  15.449   1.087
  992   1HN4  NCO 104          1HN4      NCO 104  10.745  17.970   1.121
  993   2HN4  NCO 104          2HN4      NCO 104  10.793  16.735   2.195
  994   3HN4  NCO 104          3HN4      NCO 104   9.461  17.682   2.094
  995   1HN5  NCO 104          1HN5      NCO 104  11.862  15.456   0.145
  996   2HN5  NCO 104          2HN5      NCO 104  11.182  15.155  -1.313
  997   3HN5  NCO 104          3HN5      NCO 104  11.575  16.688  -0.894
  998   1HN6  NCO 104          1HN6      NCO 104  10.174  13.773   0.900
  999   2HN6  NCO 104          2HN6      NCO 104   8.826  14.181   1.736
 1000   3HN6  NCO 104          3HN6      NCO 104  10.282  14.777   2.189
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   9.114 -46.318  -8.794
    2   2H5*    G   1          2H5*        G   1   9.889 -44.735  -8.588
    3    H4*    G   1           H4*        G   1   9.223 -44.776 -10.844
    4    H3*    G   1           H3*        G   1   7.393 -43.175  -9.105
    5    H2*    G   1           H2*        G   1   5.699 -42.995 -10.704
    6   2HO*    G   1          2HO*        G   1   6.166 -43.534 -12.961
    7    H1*    G   1           H1*        G   1   5.861 -45.445 -11.895
    8    H8     G   1           H8         G   1   6.389 -46.247  -8.302
    9    H1     G   1           H1         G   1   0.287 -44.741  -9.540
   10   1H2     G   1          1H2         G   1   0.120 -43.861 -11.571
   11   2H2     G   1          2H2         G   1   1.506 -43.643 -12.618
   12    H5T    G   1           H5T        G   1   7.968 -45.712  -7.159
   13   1H5*    G   2          1H5*        G   2   6.852 -41.559 -12.445
   14   2H5*    G   2          2H5*        G   2   7.204 -39.823 -12.568
   15    H4*    G   2           H4*        G   2   4.915 -40.340 -13.313
   16    H3*    G   2           H3*        G   2   5.242 -38.657 -10.827
   17    H2*    G   2           H2*        G   2   2.945 -38.635 -10.473
   18   2HO*    G   2          2HO*        G   2   1.569 -39.278 -12.431
   19    H1*    G   2           H1*        G   2   2.311 -41.077 -11.789
   20    H8     G   2           H8         G   2   4.801 -41.585  -8.999
   21    H1     G   2           H1         G   2  -1.278 -41.303  -6.993
   22   1H2     G   2          1H2         G   2  -2.579 -40.577  -8.629
   23   2H2     G   2          2H2         G   2  -1.961 -40.183 -10.217
   24   1H5*    G   3          1H5*        G   3   2.578 -37.349 -13.473
   25   2H5*    G   3          2H5*        G   3   2.705 -35.733 -14.195
   26    H4*    G   3           H4*        G   3   0.403 -36.051 -13.725
   27    H3*    G   3           H3*        G   3   1.786 -34.279 -11.726
   28    H2*    G   3           H2*        G   3  -0.086 -34.191 -10.334
   29   2HO*    G   3          2HO*        G   3  -2.094 -35.304 -11.584
   30    H1*    G   3           H1*        G   3  -1.084 -36.743 -10.748
   31    H8     G   3           H8         G   3   2.714 -36.471 -10.179
   32    H1     G   3           H1         G   3  -0.751 -37.174  -4.841
   33   1H2     G   3          1H2         G   3  -2.910 -37.050  -5.323
   34   2H2     G   3          2H2         G   3  -3.500 -36.790  -6.949
   35   1H5*    A   4          1H5*        A   4  -1.951 -33.284 -12.588
   36   2H5*    A   4          2H5*        A   4  -2.277 -31.700 -13.318
   37    H4*    A   4           H4*        A   4  -4.013 -32.083 -11.734
   38    H3*    A   4           H3*        A   4  -1.936 -30.116 -10.813
   39    H2*    A   4           H2*        A   4  -2.814 -30.006  -8.657
   40   2HO*    A   4          2HO*        A   4  -4.972 -30.547  -8.193
   41    H1*    A   4           H1*        A   4  -3.792 -32.601  -8.415
   42    H8     A   4           H8         A   4  -0.204 -32.070  -9.751
   43   1H6     A   4          1H6         A   4   1.593 -32.936  -3.908
   44   2H6     A   4          2H6         A   4   2.125 -32.709  -5.557
   45    H2     A   4           H2         A   4  -2.902 -32.853  -3.972
   46   1H5*    U   5          1H5*        U   5  -5.357 -29.008  -9.454
   47   2H5*    U   5          2H5*        U   5  -5.879 -27.318  -9.603
   48    H4*    U   5           H4*        U   5  -5.914 -27.994  -7.265
   49    H3*    U   5           H3*        U   5  -3.862 -25.957  -8.089
   50    H2*    U   5           H2*        U   5  -2.770 -26.032  -6.046
   51   2HO*    U   5          2HO*        U   5  -5.341 -26.640  -5.083
   52    H1*    U   5           H1*        U   5  -3.460 -28.651  -5.240
   53    H3     U   5           H3         U   5   1.008 -29.031  -5.032
   54    H5     U   5           H5         U   5   0.292 -28.255  -9.113
   55    H6     U   5           H6         U   5  -2.054 -27.946  -8.574
   56   1H5*    A   6          1H5*        A   6  -7.683 -24.393  -4.801
   57   2H5*    A   6          2H5*        A   6  -7.084 -22.737  -4.580
   58    H4*    A   6           H4*        A   6  -7.424 -24.916  -2.620
   59    H3*    A   6           H3*        A   6  -8.192 -22.242  -2.745
   60    H2*    A   6           H2*        A   6  -6.171 -21.227  -2.183
   61   2HO*    A   6          2HO*        A   6  -6.421 -20.613  -0.182
   62    H1*    A   6           H1*        A   6  -5.251 -23.472  -0.428
   63    H8     A   6           H8         A   6  -4.068 -22.180  -3.895
   64   1H6     A   6          1H6         A   6   1.095 -20.519  -0.924
   65   2H6     A   6          2H6         A   6   0.302 -20.603  -2.479
   66    H2     A   6           H2         A   6  -1.781 -22.160   2.107
   67   1H5*    U   7          1H5*        U   7  -9.362 -22.728   3.274
   68   2H5*    U   7          2H5*        U   7  -9.684 -21.279   2.300
   69    H4*    U   7           H4*        U   7  -8.178 -20.624   4.033
   70    H3*    U   7           H3*        U   7  -7.447 -20.220   1.414
   71    H2*    U   7           H2*        U   7  -5.980 -22.033   1.156
   72   2HO*    U   7          2HO*        U   7  -3.828 -21.129   2.246
   73    H1*    U   7           H1*        U   7  -4.904 -21.821   3.947
   74    H3     U   7           H3         U   7  -5.845 -26.658   4.142
   75    H5     U   7           H5         U   7  -3.395 -25.495   0.914
   76    H6     U   7           H6         U   7  -4.010 -23.190   1.364
   77   1H5*    G   8          1H5*        G   8  -2.572 -20.743   4.726
   78   2H5*    G   8          2H5*        G   8  -3.114 -19.209   5.437
   79    H4*    G   8           H4*        G   8  -0.828 -19.116   4.406
   80    H3*    G   8           H3*        G   8  -3.045 -17.306   3.475
   81    H2*    G   8           H2*        G   8  -1.787 -16.487   1.709
   82   2HO*    G   8          2HO*        G   8   0.196 -15.883   2.041
   83    H1*    G   8           H1*        G   8  -0.097 -18.706   1.285
   84    H8     G   8           H8         G   8  -3.761 -19.632   1.178
   85    H1     G   8           H1         G   8  -1.631 -17.137  -4.315
   86   1H2     G   8          1H2         G   8   0.405 -16.317  -4.043
   87   2H2     G   8          2H2         G   8   1.246 -16.380  -2.511
   88   1H5*    G   9          1H5*        G   9  -3.106 -12.917   4.006
   89   2H5*    G   9          2H5*        G   9  -4.192 -13.652   2.809
   90    H4*    G   9           H4*        G   9  -1.247 -13.020   2.556
   91    H3*    G   9           H3*        G   9  -3.757 -12.100   1.204
   92    H2*    G   9           H2*        G   9  -2.856 -12.243  -0.945
   93   2HO*    G   9          2HO*        G   9  -0.597 -11.522   0.359
   94    H1*    G   9           H1*        G   9  -1.227 -14.432  -0.654
   95    H8     G   9           H8         G   9  -4.072 -15.849   1.039
   96    H1     G   9           H1         G   9  -5.537 -14.788  -5.102
   97   1H2     G   9          1H2         G   9  -4.026 -13.437  -6.021
   98   2H2     G   9          2H2         G   9  -2.669 -12.794  -5.123
   99   1H5*    A  10          1H5*        A  10  -1.211  -9.024   0.236
  100   2H5*    A  10          2H5*        A  10  -1.767  -7.365   0.530
  101    H4*    A  10           H4*        A  10  -1.436  -7.805  -1.871
  102    H3*    A  10           H3*        A  10  -4.234  -7.243  -0.895
  103    H2*    A  10           H2*        A  10  -5.132  -7.670  -2.994
  104   2HO*    A  10          2HO*        A  10  -2.559  -7.190  -4.123
  105    H1*    A  10           H1*        A  10  -3.139  -9.445  -3.953
  106    H8     A  10           H8         A  10  -4.535 -10.821  -0.773
  107   1H6     A  10          1H6         A  10  -9.310 -12.957  -4.065
  108   2H6     A  10          2H6         A  10  -8.504 -12.995  -2.513
  109    H2     A  10           H2         A  10  -6.955 -10.175  -6.689
  110   1H5*    A  11          1H5*        A  11  -2.842  -4.385  -4.218
  111   2H5*    A  11          2H5*        A  11  -3.644  -2.816  -4.010
  112    H4*    A  11           H4*        A  11  -3.798  -3.784  -6.329
  113    H3*    A  11           H3*        A  11  -6.290  -3.122  -4.756
  114    H2*    A  11           H2*        A  11  -7.645  -3.918  -6.510
  115   2HO*    A  11          2HO*        A  11  -6.626  -4.432  -8.596
  116    H1*    A  11           H1*        A  11  -6.105  -6.081  -7.244
  117    H8     A  11           H8         A  11  -6.193  -5.813  -3.459
  118   1H6     A  11          1H6         A  11 -11.529  -8.925  -3.717
  119   2H6     A  11          2H6         A  11 -10.278  -8.300  -2.663
  120    H2     A  11           H2         A  11 -10.377  -7.797  -7.911
  121   1H5*    G  12          1H5*        G  12  -7.127  -0.547  -8.227
  122   2H5*    G  12          2H5*        G  12  -7.660   0.995  -7.529
  123    H4*    G  12           H4*        G  12  -9.369  -0.033  -9.002
  124    H3*    G  12           H3*        G  12 -10.018   0.306  -6.067
  125    H2*    G  12           H2*        G  12 -12.125  -0.678  -6.409
  126   2HO*    G  12          2HO*        G  12 -11.944  -0.685  -9.209
  127    H1*    G  12           H1*        G  12 -11.375  -2.530  -8.341
  128    H8     G  12           H8         G  12  -8.920  -2.504  -5.446
  129    H1     G  12           H1         G  12 -14.229  -5.880  -4.282
  130   1H2     G  12          1H2         G  12 -15.720  -5.527  -5.893
  131   2H2     G  12          2H2         G  12 -15.405  -4.461  -7.242
  132   1H5*    A  13          1H5*        A  13 -13.215   1.781  -8.293
  133   2H5*    A  13          2H5*        A  13 -13.740   3.395  -7.774
  134    H4*    A  13           H4*        A  13 -15.660   1.918  -7.905
  135    H3*    A  13           H3*        A  13 -14.818   2.731  -5.121
  136    H2*    A  13           H2*        A  13 -16.483   1.383  -4.175
  137   2HO*    A  13          2HO*        A  13 -18.298   1.942  -5.224
  138    H1*    A  13           H1*        A  13 -16.447  -0.685  -6.037
  139    H8     A  13           H8         A  13 -13.010   0.489  -4.779
  140   1H6     A  13          1H6         A  13 -13.640  -3.815  -0.392
  141   2H6     A  13          2H6         A  13 -12.556  -2.647  -1.114
  142    H2     A  13           H2         A  13 -17.515  -3.568  -2.655
  143   1H5*    A  14          1H5*        A  14 -19.305   3.547  -5.708
  144   2H5*    A  14          2H5*        A  14 -19.587   5.096  -4.887
  145    H4*    A  14           H4*        A  14 -21.205   3.318  -4.229
  146    H3*    A  14           H3*        A  14 -19.399   4.540  -2.140
  147    H2*    A  14           H2*        A  14 -20.265   3.111  -0.493
  148   2HO*    A  14          2HO*        A  14 -22.492   3.176  -2.126
  149    H1*    A  14           H1*        A  14 -20.588   0.846  -2.045
  150    H8     A  14           H8         A  14 -17.290   2.714  -2.636
  151   1H6     A  14          1H6         A  14 -14.959  -0.806   1.868
  152   2H6     A  14          2H6         A  14 -14.595   0.369   0.624
  153    H2     A  14           H2         A  14 -19.395  -1.541   1.695
  154   1H5*    C  15          1H5*        C  15 -23.459   4.782  -0.315
  155   2H5*    C  15          2H5*        C  15 -23.557   6.434   0.327
  156    H4*    C  15           H4*        C  15 -24.108   4.839   2.076
  157    H3*    C  15           H3*        C  15 -21.461   6.263   2.406
  158    H2*    C  15           H2*        C  15 -21.031   5.054   4.367
  159   2HO*    C  15          2HO*        C  15 -23.348   3.751   4.817
  160    H1*    C  15           H1*        C  15 -22.264   2.658   3.633
  161   1H4     C  15          1H4         C  15 -16.078   1.437   2.863
  162   2H4     C  15          2H4         C  15 -15.978   2.568   1.533
  163    H5     C  15           H5         C  15 -17.832   3.921   0.807
  164    H6     C  15           H6         C  15 -20.181   4.493   1.208
  165   1H5*    C  16          1H5*        C  16 -23.053   6.479   6.096
  166   2H5*    C  16          2H5*        C  16 -22.800   8.059   6.866
  167    H4*    C  16           H4*        C  16 -21.722   6.309   8.175
  168    H3*    C  16           H3*        C  16 -19.875   8.219   6.734
  169    H2*    C  16           H2*        C  16 -18.011   7.031   7.465
  170   2HO*    C  16          2HO*        C  16 -18.802   5.359   9.329
  171    H1*    C  16           H1*        C  16 -19.226   4.483   7.686
  172   1H4     C  16          1H4         C  16 -15.249   3.861   2.783
  173   2H4     C  16          2H4         C  16 -16.134   5.048   1.849
  174    H5     C  16           H5         C  16 -18.048   6.247   2.706
  175    H6     C  16           H6         C  16 -19.497   6.588   4.654
  176   1H5*    G  17          1H5*        G  17 -19.353   7.992  11.391
  177   2H5*    G  17          2H5*        G  17 -19.007   9.658  11.895
  178    H4*    G  17           H4*        G  17 -17.563   8.099  13.090
  179    H3*    G  17           H3*        G  17 -16.206   9.882  11.062
  180    H2*    G  17           H2*        G  17 -14.141   8.868  11.507
  181   2HO*    G  17          2HO*        G  17 -14.648   7.269  13.607
  182    H1*    G  17           H1*        G  17 -15.062   6.283  11.985
  183    H8     G  17           H8         G  17 -16.590   7.873   8.881
  184    H1     G  17           H1         G  17 -10.872   5.189   7.853
  185   1H2     G  17          1H2         G  17  -9.953   4.592   9.787
  186   2H2     G  17          2H2         G  17 -10.741   4.863  11.325
  187   1H5*    G  18          1H5*        G  18 -13.749   9.344  14.191
  188   2H5*    G  18          2H5*        G  18 -13.362  10.881  14.990
  189    H4*    G  18           H4*        G  18 -11.323   9.616  14.701
  190    H3*    G  18           H3*        G  18 -11.588  12.016  12.885
  191    H2*    G  18           H2*        G  18  -9.606  11.469  11.797
  192   2HO*    G  18          2HO*        G  18  -8.164   9.843  12.994
  193    H1*    G  18           H1*        G  18  -9.658   8.666  12.256
  194    H8     G  18           H8         G  18 -12.691  10.146  10.464
  195    H1     G  18           H1         G  18  -7.853   8.595   6.571
  196   1H2     G  18          1H2         G  18  -6.063   8.043   7.763
  197   2H2     G  18          2H2         G  18  -6.058   8.064   9.512
  198   1H5*    G  19          1H5*        G  19  -7.548  11.383  14.442
  199   2H5*    G  19          2H5*        G  19  -7.050  12.915  15.185
  200    H4*    G  19           H4*        G  19  -5.248  12.003  13.807
  201    H3*    G  19           H3*        G  19  -6.558  14.543  12.837
  202    H2*    G  19           H2*        G  19  -5.300  14.522  10.879
  203   2HO*    G  19          2HO*        G  19  -3.438  13.109  12.463
  204    H1*    G  19           H1*        G  19  -4.904  11.728  10.665
  205    H8     G  19           H8         G  19  -8.473  13.160  10.961
  206    H1     G  19           H1         G  19  -6.385  12.349   4.963
  207   1H2     G  19          1H2         G  19  -4.247  11.756   4.975
  208   2H2     G  19          2H2         G  19  -3.337  11.559   6.456
  209   1H5*    G  20          1H5*        G  20  -4.438  18.433  12.774
  210   2H5*    G  20          2H5*        G  20  -5.933  18.308  11.826
  211    H4*    G  20           H4*        G  20  -3.104  17.919  11.004
  212    H3*    G  20           H3*        G  20  -5.599  19.086   9.817
  213    H2*    G  20           H2*        G  20  -5.090  18.369   7.645
  214   2HO*    G  20          2HO*        G  20  -2.678  17.294   7.759
  215    H1*    G  20           H1*        G  20  -4.057  15.914   8.190
  216    H8     G  20           H8         G  20  -6.769  16.146  10.711
  217    H1     G  20           H1         G  20  -9.118  15.431   4.803
  218   1H2     G  20          1H2         G  20  -7.519  15.727   3.308
  219   2H2     G  20          2H2         G  20  -5.871  16.106   3.756
  220   1H5*    A  21          1H5*        A  21  -6.616  22.766   9.789
  221   2H5*    A  21          2H5*        A  21  -6.978  21.240   8.957
  222    H4*    A  21           H4*        A  21  -7.624  23.654   7.954
  223    H3*    A  21           H3*        A  21  -7.054  21.037   6.655
  224    H2*    A  21           H2*        A  21  -6.552  21.905   4.550
  225   2HO*    A  21          2HO*        A  21  -7.154  24.272   4.204
  226    H1*    A  21           H1*        A  21  -5.340  24.261   5.206
  227    H8     A  21           H8         A  21  -4.290  21.501   7.622
  228   1H6     A  21          1H6         A  21   0.206  20.200   3.597
  229   2H6     A  21          2H6         A  21  -0.434  19.881   5.193
  230    H2     A  21           H2         A  21  -2.547  23.183   1.669
  231   1H5*    A  22          1H5*        A  22  -9.942  19.105   3.819
  232   2H5*    A  22          2H5*        A  22  -8.441  18.229   4.179
  233    H4*    A  22           H4*        A  22  -8.975  20.393   2.199
  234    H3*    A  22           H3*        A  22  -7.455  17.814   2.272
  235    H2*    A  22           H2*        A  22  -5.651  18.623   1.042
  236   2HO*    A  22          2HO*        A  22  -5.822  20.427  -0.327
  237    H1*    A  22           H1*        A  22  -5.580  21.240   1.887
  238    H8     A  22           H8         A  22  -5.879  19.922   5.184
  239   1H6     A  22          1H6         A  22  -0.276  17.366   4.777
  240   2H6     A  22          2H6         A  22  -1.566  17.838   5.860
  241    H2     A  22           H2         A  22  -1.605  18.455   0.621
  242   1H5*    A  23          1H5*        A  23  -7.140  18.123  -2.609
  243   2H5*    A  23          2H5*        A  23  -7.867  16.504  -2.656
  244    H4*    A  23           H4*        A  23  -5.578  16.745  -3.741
  245    H3*    A  23           H3*        A  23  -6.294  14.658  -1.721
  246    H2*    A  23           H2*        A  23  -4.085  13.967  -1.375
  247   2HO*    A  23          2HO*        A  23  -3.149  15.437  -3.607
  248    H1*    A  23           H1*        A  23  -2.786  16.352  -1.525
  249    H8     A  23           H8         A  23  -6.249  16.317   0.200
  250   1H6     A  23          1H6         A  23  -3.096  15.691   5.476
  251   2H6     A  23          2H6         A  23  -4.684  15.917   4.771
  252    H2     A  23           H2         A  23  -0.153  15.513   2.068
  253   1H5*    C  24          1H5*        C  24  -3.976  12.579  -3.584
  254   2H5*    C  24          2H5*        C  24  -4.452  10.907  -3.939
  255    H4*    C  24           H4*        C  24  -2.607  11.115  -2.256
  256    H3*    C  24           H3*        C  24  -5.197   9.742  -1.551
  257    H2*    C  24           H2*        C  24  -4.518   9.438   0.666
  258   2HO*    C  24          2HO*        C  24  -2.150   9.906   1.133
  259    H1*    C  24           H1*        C  24  -3.043  11.771   0.987
  260   1H4     C  24          1H4         C  24  -8.590  13.001   3.847
  261   2H4     C  24          2H4         C  24  -9.392  13.146   2.299
  262    H5     C  24           H5         C  24  -8.289  12.722   0.198
  263    H6     C  24           H6         C  24  -6.183  12.076  -0.872
  264   1H5*    U  25          1H5*        U  25  -2.451   7.876   0.172
  265   2H5*    U  25          2H5*        U  25  -2.254   6.130  -0.071
  266    H4*    U  25           H4*        U  25  -2.344   6.567   2.298
  267    H3*    U  25           H3*        U  25  -4.822   5.263   1.168
  268    H2*    U  25           H2*        U  25  -5.886   5.379   3.240
  269   2HO*    U  25          2HO*        U  25  -4.724   5.485   5.194
  270    H1*    U  25           H1*        U  25  -4.557   7.669   4.243
  271    H3     U  25           H3         U  25  -8.880   8.920   4.578
  272    H5     U  25           H5         U  25  -8.195   8.765   0.422
  273    H6     U  25           H6         U  25  -6.001   7.840   0.884
  274   1H5*    U  26          1H5*        U  26  -3.492   3.822   4.521
  275   2H5*    U  26          2H5*        U  26  -2.963   2.138   4.707
  276    H4*    U  26           H4*        U  26  -4.128   2.482   6.682
  277    H3*    U  26           H3*        U  26  -6.074   1.369   4.653
  278    H2*    U  26           H2*        U  26  -7.831   1.609   6.174
  279   2HO*    U  26          2HO*        U  26  -6.428   2.246   8.446
  280    H1*    U  26           H1*        U  26  -6.925   3.905   7.482
  281    H3     U  26           H3         U  26 -10.704   5.567   5.702
  282    H5     U  26           H5         U  26  -8.484   4.401   2.318
  283    H6     U  26           H6         U  26  -6.802   3.496   3.811
  284   1H5*    G  27          1H5*        G  27  -6.498  -0.218   8.347
  285   2H5*    G  27          2H5*        G  27  -7.136  -1.867   8.494
  286    H4*    G  27           H4*        G  27  -8.546  -0.084   9.576
  287    H3*    G  27           H3*        G  27  -9.734  -1.807   7.386
  288    H2*    G  27           H2*        G  27 -11.747  -0.647   7.597
  289   2HO*    G  27          2HO*        G  27 -10.878  -0.289  10.250
  290    H1*    G  27           H1*        G  27 -10.633   1.805   8.526
  291    H8     G  27           H8         G  27  -9.405   0.529   5.128
  292    H1     G  27           H1         G  27 -14.743   4.057   4.893
  293   1H2     G  27          1H2         G  27 -15.484   4.439   6.952
  294   2H2     G  27          2H2         G  27 -14.662   3.828   8.371
  295   1H5*    G  28          1H5*        G  28 -12.268  -2.466  11.118
  296   2H5*    G  28          2H5*        G  28 -12.063  -4.206  11.405
  297    H4*    G  28           H4*        G  28 -14.329  -4.019  11.734
  298    H3*    G  28           H3*        G  28 -13.913  -4.569   8.802
  299    H2*    G  28           H2*        G  28 -16.184  -4.197   8.322
  300   2HO*    G  28          2HO*        G  28 -17.783  -4.418   9.786
  301    H1*    G  28           H1*        G  28 -16.635  -2.081   9.997
  302    H8     G  28           H8         G  28 -13.212  -2.144   8.224
  303    H1     G  28           H1         G  28 -17.828   0.881   4.979
  304   1H2     G  28          1H2         G  28 -19.772   0.651   6.036
  305   2H2     G  28          2H2         G  28 -19.933  -0.260   7.520
  306   1H5*    U  29          1H5*        U  29 -17.324  -6.788   9.396
  307   2H5*    U  29          2H5*        U  29 -17.057  -8.418   8.748
  308    H4*    U  29           H4*        U  29 -18.993  -7.355   7.682
  309    H3*    U  29           H3*        U  29 -16.576  -7.821   5.924
  310    H2*    U  29           H2*        U  29 -17.668  -6.814   4.130
  311   2HO*    U  29          2HO*        U  29 -20.204  -6.971   5.364
  312    H1*    U  29           H1*        U  29 -19.318  -5.056   5.622
  313    H3     U  29           H3         U  29 -17.148  -2.258   2.807
  314    H5     U  29           H5         U  29 -14.134  -3.599   5.434
  315    H6     U  29           H6         U  29 -15.749  -5.133   6.396
  316   1H5*    U  30          1H5*        U  30 -20.306  -9.325   4.264
  317   2H5*    U  30          2H5*        U  30 -20.094 -10.888   3.450
  318    H4*    U  30           H4*        U  30 -21.345  -9.307   2.045
  319    H3*    U  30           H3*        U  30 -18.594 -10.112   1.077
  320    H2*    U  30           H2*        U  30 -18.852  -8.735  -0.807
  321   2HO*    U  30          2HO*        U  30 -21.340  -9.559  -0.694
  322    H1*    U  30           H1*        U  30 -20.301  -6.693   0.413
  323    H3     U  30           H3         U  30 -16.486  -4.600  -0.785
  324    H5     U  30           H5         U  30 -15.303  -7.125   2.377
  325    H6     U  30           H6         U  30 -17.533  -8.085   2.355
  326   1H5*    C  31          1H5*        C  31 -21.245 -10.605  -2.145
  327   2H5*    C  31          2H5*        C  31 -20.750 -11.906  -3.247
  328    H4*    C  31           H4*        C  31 -20.824  -9.609  -4.281
  329    H3*    C  31           H3*        C  31 -18.231 -11.174  -4.266
  330    H2*    C  31           H2*        C  31 -17.176  -9.406  -5.375
  331   2HO*    C  31          2HO*        C  31 -19.675  -8.240  -6.043
  332    H1*    C  31           H1*        C  31 -18.711  -7.314  -4.271
  333   1H4     C  31          1H4         C  31 -12.985  -6.786  -1.564
  334   2H4     C  31          2H4         C  31 -13.284  -8.204  -0.583
  335    H5     C  31           H5         C  31 -15.273  -9.549  -0.778
  336    H6     C  31           H6         C  31 -17.390  -9.845  -1.979
  337   1H5*    U  32          1H5*        U  32 -18.962 -10.569  -8.696
  338   2H5*    U  32          2H5*        U  32 -18.626 -12.164  -9.398
  339    H4*    U  32           H4*        U  32 -17.316 -10.434 -10.526
  340    H3*    U  32           H3*        U  32 -15.817 -12.458  -8.871
  341    H2*    U  32           H2*        U  32 -13.779 -11.367  -9.231
  342   2HO*    U  32          2HO*        U  32 -13.739  -9.633 -10.928
  343    H1*    U  32           H1*        U  32 -14.685  -8.750  -9.258
  344    H3     U  32           H3         U  32 -12.195  -8.738  -5.506
  345    H5     U  32           H5         U  32 -15.449 -11.221  -4.517
  346    H6     U  32           H6         U  32 -16.202 -11.035  -6.817
  347   1H5*    U  33          1H5*        U  33 -14.098 -11.729 -12.724
  348   2H5*    U  33          2H5*        U  33 -13.365 -13.145 -13.503
  349    H4*    U  33           H4*        U  33 -11.854 -11.141 -13.324
  350    H3*    U  33           H3*        U  33 -11.096 -13.807 -12.155
  351    H2*    U  33           H2*        U  33  -9.232 -12.941 -11.085
  352   2HO*    U  33          2HO*        U  33  -8.111 -12.113 -12.756
  353    H1*    U  33           H1*        U  33 -10.068 -10.244 -10.828
  354    H3     U  33           H3         U  33  -9.013 -11.262  -6.551
  355    H5     U  33           H5         U  33 -12.402 -13.636  -7.352
  356    H6     U  33           H6         U  33 -12.284 -12.910  -9.665
  357   1H5*    C  34          1H5*        C  34  -6.274 -14.673 -14.083
  358   2H5*    C  34          2H5*        C  34  -7.195 -14.843 -12.574
  359    H4*    C  34           H4*        C  34  -5.514 -12.404 -13.219
  360    H3*    C  34           H3*        C  34  -4.658 -15.031 -12.058
  361    H2*    C  34           H2*        C  34  -3.695 -14.083 -10.172
  362   2HO*    C  34          2HO*        C  34  -3.285 -11.621 -10.357
  363    H1*    C  34           H1*        C  34  -5.240 -11.762  -9.927
  364   1H4     C  34          1H4         C  34  -7.009 -15.795  -5.282
  365   2H4     C  34          2H4         C  34  -8.327 -16.320  -6.304
  366    H5     C  34           H5         C  34  -8.580 -15.623  -8.594
  367    H6     C  34           H6         C  34  -7.624 -14.275 -10.402
  368   1H5*    C  35          1H5*        C  35  -0.009 -15.984 -12.696
  369   2H5*    C  35          2H5*        C  35  -0.949 -16.768 -11.410
  370    H4*    C  35           H4*        C  35   1.141 -14.609 -11.202
  371    H3*    C  35           H3*        C  35   0.822 -17.386 -10.204
  372    H2*    C  35           H2*        C  35   1.225 -16.937  -7.965
  373   2HO*    C  35          2HO*        C  35   2.375 -14.977  -7.345
  374    H1*    C  35           H1*        C  35   0.276 -14.373  -7.705
  375   1H4     C  35          1H4         C  35  -4.338 -18.285  -5.599
  376   2H4     C  35          2H4         C  35  -5.103 -18.150  -7.166
  377    H5     C  35           H5         C  35  -4.090 -17.039  -9.038
  378    H6     C  35           H6         C  35  -2.125 -15.804  -9.823
  379   1H5*    U  36          1H5*        U  36   4.318 -20.347 -10.094
  380   2H5*    U  36          2H5*        U  36   2.751 -20.765  -9.373
  381    H4*    U  36           H4*        U  36   4.969 -19.084  -8.174
  382    H3*    U  36           H3*        U  36   3.867 -21.808  -7.624
  383    H2*    U  36           H2*        U  36   3.627 -21.474  -5.333
  384   2HO*    U  36          2HO*        U  36   4.774 -19.464  -4.440
  385    H1*    U  36           H1*        U  36   3.028 -18.785  -5.257
  386    H3     U  36           H3         U  36  -0.553 -21.340  -3.833
  387    H5     U  36           H5         U  36  -1.026 -20.814  -7.989
  388    H6     U  36           H6         U  36   1.218 -19.893  -8.059
  389   1H5*    A  37          1H5*        A  37   6.151 -21.743  -4.970
  390   2H5*    A  37          2H5*        A  37   7.664 -22.670  -4.944
  391    H4*    A  37           H4*        A  37   6.579 -23.123  -2.880
  392    H3*    A  37           H3*        A  37   7.143 -25.243  -4.538
  393    H2*    A  37           H2*        A  37   5.024 -25.674  -5.422
  394   2HO*    A  37          2HO*        A  37   4.314 -26.715  -2.910
  395    H1*    A  37           H1*        A  37   3.494 -24.897  -2.988
  396    H8     A  37           H8         A  37   4.103 -23.795  -6.687
  397   1H6     A  37          1H6         A  37  -2.059 -23.640  -7.072
  398   2H6     A  37          2H6         A  37  -0.558 -23.416  -7.941
  399    H2     A  37           H2         A  37  -0.967 -24.794  -2.867
  400   1H5*    A  38          1H5*        A  38   8.476 -27.699   0.021
  401   2H5*    A  38          2H5*        A  38   6.841 -27.523  -0.649
  402    H4*    A  38           H4*        A  38   7.809 -27.102   2.167
  403    H3*    A  38           H3*        A  38   5.704 -28.747   0.818
  404    H2*    A  38           H2*        A  38   4.067 -28.292   2.411
  405   2HO*    A  38          2HO*        A  38   6.287 -27.996   4.089
  406    H1*    A  38           H1*        A  38   4.766 -25.720   3.137
  407    H8     A  38           H8         A  38   4.954 -25.478  -0.522
  408   1H6     A  38          1H6         A  38  -1.218 -25.445  -0.734
  409   2H6     A  38          2H6         A  38   0.254 -25.164  -1.637
  410    H2     A  38           H2         A  38   0.016 -26.695   3.404
  411   1H5*    G  39          1H5*        G  39   5.494 -31.634   4.307
  412   2H5*    G  39          2H5*        G  39   4.774 -32.930   3.331
  413    H4*    G  39           H4*        G  39   3.378 -31.309   5.026
  414    H3*    G  39           H3*        G  39   2.574 -32.942   2.648
  415    H2*    G  39           H2*        G  39   0.546 -31.835   2.349
  416   2HO*    G  39          2HO*        G  39  -0.541 -30.809   4.001
  417    H1*    G  39           H1*        G  39   1.228 -29.292   3.179
  418    H8     G  39           H8         G  39   4.073 -30.215   1.009
  419    H1     G  39           H1         G  39  -1.224 -29.089  -2.407
  420   1H2     G  39          1H2         G  39  -2.992 -29.018  -1.067
  421   2H2     G  39          2H2         G  39  -2.870 -29.247   0.663
  422   1H5*    U  40          1H5*        U  40  -1.111 -33.698   5.260
  423   2H5*    U  40          2H5*        U  40  -1.168 -35.470   5.160
  424    H4*    U  40           H4*        U  40  -3.287 -34.327   4.459
  425    H3*    U  40           H3*        U  40  -1.793 -36.170   2.612
  426    H2*    U  40           H2*        U  40  -3.180 -35.672   0.796
  427   2HO*    U  40          2HO*        U  40  -5.186 -34.274   1.482
  428    H1*    U  40           H1*        U  40  -3.657 -33.005   1.295
  429    H3     U  40           H3         U  40  -1.151 -33.007  -2.495
  430    H5     U  40           H5         U  40   1.614 -33.757   0.598
  431    H6     U  40           H6         U  40  -0.254 -33.939   2.135
  432   1H5*    C  41          1H5*        C  41  -5.582 -36.733   2.333
  433   2H5*    C  41          2H5*        C  41  -6.393 -38.302   2.517
  434    H4*    C  41           H4*        C  41  -7.182 -37.367   0.473
  435    H3*    C  41           H3*        C  41  -5.121 -39.534   0.054
  436    H2*    C  41           H2*        C  41  -5.157 -39.188  -2.260
  437   2HO*    C  41          2HO*        C  41  -7.636 -37.831  -1.869
  438    H1*    C  41           H1*        C  41  -5.612 -36.438  -2.256
  439   1H4     C  41          1H4         C  41   0.579 -36.996  -3.578
  440   2H4     C  41          2H4         C  41   0.921 -37.494  -1.936
  441    H5     C  41           H5         C  41  -0.789 -37.830  -0.275
  442    H6     C  41           H6         C  41  -3.199 -37.776   0.169
  443   1H5*    C  42          1H5*        C  42  -8.084 -39.572  -2.445
  444   2H5*    C  42          2H5*        C  42  -9.091 -41.013  -2.696
  445    H4*    C  42           H4*        C  42  -8.577 -40.113  -4.855
  446    H3*    C  42           H3*        C  42  -6.986 -42.595  -4.184
  447    H2*    C  42           H2*        C  42  -5.873 -42.456  -6.253
  448   2HO*    C  42          2HO*        C  42  -6.806 -40.601  -7.704
  449    H1*    C  42           H1*        C  42  -5.616 -39.710  -6.363
  450   1H4     C  42          1H4         C  42  -0.022 -41.709  -4.080
  451   2H4     C  42          2H4         C  42  -0.749 -42.073  -2.533
  452    H5     C  42           H5         C  42  -3.101 -41.838  -2.090
  453    H6     C  42           H6         C  42  -5.276 -41.232  -3.043
  454   1H5*    U  43          1H5*        U  43  -7.959 -42.505  -7.925
  455   2H5*    U  43          2H5*        U  43  -8.586 -43.986  -8.675
  456    H4*    U  43           H4*        U  43  -6.589 -42.989  -9.830
  457    H3*    U  43           H3*        U  43  -6.549 -45.802  -8.773
  458    H2*    U  43           H2*        U  43  -4.284 -45.986  -9.023
  459   2HO*    U  43          2HO*        U  43  -4.335 -46.001 -11.246
  460    H1*    U  43           H1*        U  43  -3.784 -43.139  -9.538
  461    H3     U  43           H3         U  43   0.008 -44.368  -7.394
  462    H5     U  43           H5         U  43  -3.003 -44.665  -4.454
  463    H6     U  43           H6         U  43  -4.643 -44.265  -6.198
  464    H3T    U  43           H3T        U  43  -7.653 -45.634 -10.624
  465   1H5*    G  44          1H5*        G  44  -4.987  45.453   4.667
  466   2H5*    G  44          2H5*        G  44  -5.693  43.947   4.047
  467    H4*    G  44           H4*        G  44  -5.096  45.169   2.122
  468    H3*    G  44           H3*        G  44  -3.182  42.971   2.784
  469    H2*    G  44           H2*        G  44  -1.518  43.693   1.307
  470   2HO*    G  44          2HO*        G  44  -3.429  45.408   0.070
  471    H1*    G  44           H1*        G  44  -1.731  46.389   1.586
  472    H8     G  44           H8         G  44  -2.334  45.113   5.045
  473    H1     G  44           H1         G  44   3.846  44.778   3.394
  474   1H2     G  44          1H2         G  44   4.071  45.151   1.218
  475   2H2     G  44          2H2         G  44   2.706  45.478   0.173
  476    H5T    G  44           H5T        G  44  -4.046  42.842   4.785
  477   1H5*    G  45          1H5*        G  45  -2.615  43.270  -0.899
  478   2H5*    G  45          2H5*        G  45  -2.914  41.814  -1.869
  479    H4*    G  45           H4*        G  45  -0.652  42.643  -2.257
  480    H3*    G  45           H3*        G  45  -0.886  40.019  -0.780
  481    H2*    G  45           H2*        G  45   1.414  39.938  -0.451
  482   2HO*    G  45          2HO*        G  45   2.653  40.264  -2.106
  483    H1*    G  45           H1*        G  45   1.936  42.731  -0.528
  484    H8     G  45           H8         G  45  -0.562  41.911   2.162
  485    H1     G  45           H1         G  45   5.487  40.708   3.893
  486   1H2     G  45          1H2         G  45   6.817  40.833   2.133
  487   2H2     G  45          2H2         G  45   6.223  41.206   0.530
  488   1H5*    G  46          1H5*        G  46   1.932  39.881  -4.091
  489   2H5*    G  46          2H5*        G  46   1.745  38.401  -5.054
  490    H4*    G  46           H4*        G  46   4.109  38.864  -4.477
  491    H3*    G  46           H3*        G  46   2.799  36.359  -3.435
  492    H2*    G  46           H2*        G  46   4.676  35.796  -2.173
  493   2HO*    G  46          2HO*        G  46   6.003  37.209  -4.181
  494    H1*    G  46           H1*        G  46   5.589  38.370  -1.570
  495    H8     G  46           H8         G  46   1.865  37.837  -0.905
  496    H1     G  46           H1         G  46   5.675  36.026   3.910
  497   1H2     G  46          1H2         G  46   7.802  36.095   3.257
  498   2H2     G  46          2H2         G  46   8.272  36.581   1.645
  499   1H5*    A  47          1H5*        A  47   6.610  35.151  -5.005
  500   2H5*    A  47          2H5*        A  47   6.383  33.779  -6.107
  501    H4*    A  47           H4*        A  47   8.119  33.261  -4.481
  502    H3*    A  47           H3*        A  47   5.540  31.722  -4.255
  503    H2*    A  47           H2*        A  47   6.234  30.669  -2.291
  504   2HO*    A  47          2HO*        A  47   8.924  31.466  -2.615
  505    H1*    A  47           H1*        A  47   7.812  32.710  -1.225
  506    H8     A  47           H8         A  47   4.299  33.654  -2.490
  507   1H6     A  47          1H6         A  47   2.430  32.683   3.313
  508   2H6     A  47          2H6         A  47   1.962  33.252   1.727
  509    H2     A  47           H2         A  47   6.738  31.426   3.024
  510   1H5*    U  48          1H5*        U  48   8.437  29.046  -3.441
  511   2H5*    U  48          2H5*        U  48   8.181  27.470  -4.218
  512    H4*    U  48           H4*        U  48   8.288  27.326  -1.739
  513    H3*    U  48           H3*        U  48   5.781  26.502  -3.191
  514    H2*    U  48           H2*        U  48   4.608  26.198  -1.210
  515   2HO*    U  48          2HO*        U  48   6.483  24.831  -0.450
  516    H1*    U  48           H1*        U  48   6.001  28.037   0.421
  517    H3     U  48           H3         U  48   1.788  29.587   0.826
  518    H5     U  48           H5         U  48   2.725  30.300  -3.221
  519    H6     U  48           H6         U  48   4.809  29.104  -2.881
  520   1H5*    A  49          1H5*        A  49   8.444  22.104  -2.605
  521   2H5*    A  49          2H5*        A  49   7.258  20.874  -2.124
  522    H4*    A  49           H4*        A  49   8.886  22.730  -0.446
  523    H3*    A  49           H3*        A  49   8.853  19.996  -0.676
  524    H2*    A  49           H2*        A  49   6.747  19.517   0.212
  525   2HO*    A  49          2HO*        A  49   7.325  18.587   1.994
  526    H1*    A  49           H1*        A  49   6.744  21.715   2.222
  527    H8     A  49           H8         A  49   4.849  21.414  -1.140
  528   1H6     A  49          1H6         A  49  -0.189  20.590   2.351
  529   2H6     A  49          2H6         A  49   0.411  20.783   0.718
  530    H2     A  49           H2         A  49   3.375  20.774   5.080
  531   1H5*    U  50          1H5*        U  50  11.078  20.110   4.331
  532   2H5*    U  50          2H5*        U  50  11.073  18.343   4.159
  533    H4*    U  50           H4*        U  50  10.003  18.574   6.187
  534    H3*    U  50           H3*        U  50   8.263  17.848   4.135
  535    H2*    U  50           H2*        U  50   7.099  19.867   3.915
  536   2HO*    U  50          2HO*        U  50   5.446  19.901   5.781
  537    H1*    U  50           H1*        U  50   7.353  20.547   6.827
  538    H3     U  50           H3         U  50   8.921  24.921   5.233
  539    H5     U  50           H5         U  50   5.225  23.740   3.587
  540    H6     U  50           H6         U  50   5.633  21.504   4.440
  541   1H5*    G  51          1H5*        G  51   4.799  18.437   6.844
  542   2H5*    G  51          2H5*        G  51   4.812  16.800   7.533
  543    H4*    G  51           H4*        G  51   2.529  17.325   7.182
  544    H3*    G  51           H3*        G  51   3.673  15.455   5.143
  545    H2*    G  51           H2*        G  51   1.838  15.604   3.713
  546   2HO*    G  51          2HO*        G  51  -0.051  15.437   4.603
  547    H1*    G  51           H1*        G  51   1.103  18.224   4.103
  548    H8     G  51           H8         G  51   4.830  18.260   3.856
  549    H1     G  51           H1         G  51   2.017  17.527  -1.844
  550   1H2     G  51          1H2         G  51  -0.133  17.089  -1.579
  551   2H2     G  51          2H2         G  51  -0.882  16.976  -0.004
  552   1H5*    G  52          1H5*        G  52   1.851  11.496   4.452
  553   2H5*    G  52          2H5*        G  52   3.021  12.299   3.385
  554    H4*    G  52           H4*        G  52   0.032  12.030   3.066
  555    H3*    G  52           H3*        G  52   2.448  11.197   1.494
  556    H2*    G  52           H2*        G  52   1.514  11.822  -0.558
  557   2HO*    G  52          2HO*        G  52  -1.032  11.968   0.717
  558    H1*    G  52           H1*        G  52   0.141  14.068   0.206
  559    H8     G  52           H8         G  52   3.252  14.560   2.094
  560    H1     G  52           H1         G  52   4.259  15.227  -4.194
  561   1H2     G  52          1H2         G  52   2.516  14.445  -5.327
  562   2H2     G  52          2H2         G  52   1.113  13.761  -4.539
  563   1H5*    A  53          1H5*        A  53  -0.456   8.783  -0.016
  564   2H5*    A  53          2H5*        A  53  -0.214   7.025  -0.040
  565    H4*    A  53           H4*        A  53  -0.551   7.778  -2.304
  566    H3*    A  53           H3*        A  53   2.307   7.019  -1.670
  567    H2*    A  53           H2*        A  53   2.957   7.598  -3.851
  568   2HO*    A  53          2HO*        A  53   0.926   8.163  -5.295
  569    H1*    A  53           H1*        A  53   1.272   9.772  -4.195
  570    H8     A  53           H8         A  53   2.876   9.955  -0.774
  571   1H6     A  53          1H6         A  53   7.811  12.417  -3.571
  572   2H6     A  53          2H6         A  53   7.068  12.051  -2.028
  573    H2     A  53           H2         A  53   5.002  10.954  -6.751
  574   1H5*    A  54          1H5*        A  54   0.980   5.107  -5.490
  575   2H5*    A  54          2H5*        A  54   1.571   3.434  -5.440
  576    H4*    A  54           H4*        A  54   2.110   4.596  -7.571
  577    H3*    A  54           H3*        A  54   4.379   3.654  -5.808
  578    H2*    A  54           H2*        A  54   5.944   4.515  -7.340
  579   2HO*    A  54          2HO*        A  54   5.241   5.223  -9.462
  580    H1*    A  54           H1*        A  54   4.593   6.815  -8.020
  581    H8     A  54           H8         A  54   4.399   6.026  -4.282
  582   1H6     A  54          1H6         A  54   9.673   9.189  -3.726
  583   2H6     A  54          2H6         A  54   8.367   8.405  -2.865
  584    H2     A  54           H2         A  54   8.809   8.708  -8.110
  585   1H5*    G  55          1H5*        G  55   5.148   1.749  -9.701
  586   2H5*    G  55          2H5*        G  55   5.745   0.103  -9.413
  587    H4*    G  55           H4*        G  55   7.305   1.426 -10.792
  588    H3*    G  55           H3*        G  55   8.243   0.549  -8.056
  589    H2*    G  55           H2*        G  55  10.300   1.653  -8.384
  590   2HO*    G  55          2HO*        G  55   9.723   1.136 -11.041
  591    H1*    G  55           H1*        G  55   9.352   3.841  -9.781
  592    H8     G  55           H8         G  55   7.217   2.863  -6.758
  593    H1     G  55           H1         G  55  12.215   6.583  -5.332
  594   1H2     G  55          1H2         G  55  13.512   6.835  -7.109
  595   2H2     G  55          2H2         G  55  13.153   6.083  -8.646
  596   1H5*    A  56          1H5*        A  56  11.294  -0.284 -10.312
  597   2H5*    A  56          2H5*        A  56  11.903  -1.950 -10.245
  598    H4*    A  56           H4*        A  56  13.744  -0.498  -9.771
  599    H3*    A  56           H3*        A  56  12.659  -1.862  -7.300
  600    H2*    A  56           H2*        A  56  14.142  -0.675  -5.960
  601   2HO*    A  56          2HO*        A  56  15.843  -1.321  -7.783
  602    H1*    A  56           H1*        A  56  14.455   1.599  -7.638
  603    H8     A  56           H8         A  56  10.900   0.761  -6.483
  604   1H6     A  56          1H6         A  56  12.061   4.437  -1.658
  605   2H6     A  56          2H6         A  56  10.838   3.521  -2.506
  606    H2     A  56           H2         A  56  15.901   3.885  -3.935
  607   1H5*    A  57          1H5*        A  57  17.268  -2.579  -7.702
  608   2H5*    A  57          2H5*        A  57  17.426  -4.291  -7.256
  609    H4*    A  57           H4*        A  57  19.102  -2.965  -6.086
  610    H3*    A  57           H3*        A  57  16.894  -4.112  -4.371
  611    H2*    A  57           H2*        A  57  17.788  -3.077  -2.471
  612   2HO*    A  57          2HO*        A  57  20.209  -2.785  -3.950
  613    H1*    A  57           H1*        A  57  18.756  -0.761  -3.688
  614    H8     A  57           H8         A  57  15.178  -1.926  -4.526
  615   1H6     A  57          1H6         A  57  13.374   1.787   0.065
  616   2H6     A  57          2H6         A  57  12.843   0.753  -1.240
  617    H2     A  57           H2         A  57  17.870   1.704   0.040
  618   1H5*    C  58          1H5*        C  58  20.823  -4.802  -2.417
  619   2H5*    C  58          2H5*        C  58  20.818  -6.510  -1.934
  620    H4*    C  58           H4*        C  58  21.533  -5.113  -0.069
  621    H3*    C  58           H3*        C  58  18.801  -6.382   0.245
  622    H2*    C  58           H2*        C  58  18.597  -5.374   2.358
  623   2HO*    C  58          2HO*        C  58  21.418  -4.992   2.253
  624    H1*    C  58           H1*        C  58  19.949  -3.001   1.762
  625   1H4     C  58          1H4         C  58  13.803  -1.382   1.646
  626   2H4     C  58          2H4         C  58  13.553  -2.290   0.171
  627    H5     C  58           H5         C  58  15.277  -3.606  -0.877
  628    H6     C  58           H6         C  58  17.604  -4.360  -0.721
  629   1H5*    C  59          1H5*        C  59  20.486  -6.617   3.575
  630   2H5*    C  59          2H5*        C  59  20.354  -8.114   4.520
  631    H4*    C  59           H4*        C  59  19.381  -6.287   5.778
  632    H3*    C  59           H3*        C  59  17.368  -8.251   4.659
  633    H2*    C  59           H2*        C  59  15.627  -6.976   5.544
  634   2HO*    C  59          2HO*        C  59  17.555  -5.935   7.365
  635    H1*    C  59           H1*        C  59  16.950  -4.460   5.485
  636   1H4     C  59          1H4         C  59  12.272  -3.927   1.224
  637   2H4     C  59          2H4         C  59  13.044  -5.091   0.168
  638    H5     C  59           H5         C  59  15.078  -6.256   0.746
  639    H6     C  59           H6         C  59  16.784  -6.582   2.478
  640   1H5*    G  60          1H5*        G  60  17.438  -7.884   9.447
  641   2H5*    G  60          2H5*        G  60  17.040  -9.536   9.957
  642    H4*    G  60           H4*        G  60  15.838  -7.859  11.298
  643    H3*    G  60           H3*        G  60  14.210  -9.677   9.521
  644    H2*    G  60           H2*        G  60  12.233  -8.574  10.118
  645   2HO*    G  60          2HO*        G  60  13.673  -7.999  12.441
  646    H1*    G  60           H1*        G  60  13.255  -6.002  10.389
  647    H8     G  60           H8         G  60  14.469  -7.711   7.225
  648    H1     G  60           H1         G  60   8.713  -4.980   6.613
  649   1H2     G  60          1H2         G  60   7.956  -4.344   8.605
  650   2H2     G  60          2H2         G  60   8.867  -4.591  10.078
  651   1H5*    G  61          1H5*        G  61  11.862  -9.080  12.618
  652   2H5*    G  61          2H5*        G  61  11.816 -10.549  13.611
  653    H4*    G  61           H4*        G  61   9.577  -9.954  13.543
  654    H3*    G  61           H3*        G  61  10.087 -11.880  11.271
  655    H2*    G  61           H2*        G  61   7.904 -11.591  10.487
  656   2HO*    G  61          2HO*        G  61   7.367 -10.909  13.170
  657    H1*    G  61           H1*        G  61   7.534  -8.922  11.280
  658    H8     G  61           H8         G  61  10.695  -9.876   9.290
  659    H1     G  61           H1         G  61   5.734  -8.084   5.678
  660   1H2     G  61          1H2         G  61   3.932  -7.776   6.951
  661   2H2     G  61          2H2         G  61   3.955  -8.022   8.683
  662   1H5*    G  62          1H5*        G  62   6.275 -12.623  12.807
  663   2H5*    G  62          2H5*        G  62   6.124 -14.348  13.193
  664    H4*    G  62           H4*        G  62   4.241 -13.598  11.821
  665    H3*    G  62           H3*        G  62   6.179 -15.538  10.561
  666    H2*    G  62           H2*        G  62   5.101 -15.391   8.508
  667   2HO*    G  62          2HO*        G  62   3.032 -15.697   8.544
  668    H1*    G  62           H1*        G  62   4.004 -12.787   8.796
  669    H8     G  62           H8         G  62   7.806 -13.306   9.131
  670    H1     G  62           H1         G  62   5.804 -11.895   3.217
  671   1H2     G  62          1H2         G  62   3.587 -11.903   3.144
  672   2H2     G  62          2H2         G  62   2.603 -12.253   4.548
  673   1H5*    G  63          1H5*        G  63   5.700 -19.709   9.754
  674   2H5*    G  63          2H5*        G  63   6.948 -18.753   8.930
  675    H4*    G  63           H4*        G  63   3.973 -18.833   8.431
  676    H3*    G  63           H3*        G  63   6.438 -19.439   6.847
  677    H2*    G  63           H2*        G  63   5.725 -18.298   4.933
  678   2HO*    G  63          2HO*        G  63   3.331 -19.177   5.719
  679    H1*    G  63           H1*        G  63   4.490 -16.156   6.063
  680    H8     G  63           H8         G  63   7.311 -16.430   8.385
  681    H1     G  63           H1         G  63   9.345 -14.724   2.560
  682   1H2     G  63          1H2         G  63   7.731 -14.989   1.088
  683   2H2     G  63          2H2         G  63   6.151 -15.604   1.520
  684   1H5*    A  64          1H5*        A  64   7.630 -23.110   6.243
  685   2H5*    A  64          2H5*        A  64   8.223 -21.520   5.722
  686    H4*    A  64           H4*        A  64   8.807 -23.639   4.314
  687    H3*    A  64           H3*        A  64   8.038 -20.924   3.344
  688    H2*    A  64           H2*        A  64   7.586 -21.593   1.152
  689   2HO*    A  64          2HO*        A  64   9.450 -22.681   0.671
  690    H1*    A  64           H1*        A  64   6.519 -24.070   1.571
  691    H8     A  64           H8         A  64   5.356 -21.599   4.241
  692   1H6     A  64          1H6         A  64   0.746 -20.191   0.389
  693   2H6     A  64          2H6         A  64   1.392 -19.976   2.000
  694    H2     A  64           H2         A  64   3.613 -22.853  -1.816
  695   1H5*    A  65          1H5*        A  65  10.751 -18.874   0.358
  696   2H5*    A  65          2H5*        A  65   9.410 -17.925   1.030
  697    H4*    A  65           H4*        A  65   9.574 -19.490  -1.463
  698    H3*    A  65           H3*        A  65   8.120 -17.065  -0.483
  699    H2*    A  65           H2*        A  65   6.159 -17.516  -1.653
  700   2HO*    A  65          2HO*        A  65   7.802 -18.228  -3.539
  701    H1*    A  65           H1*        A  65   6.110 -20.256  -1.564
  702    H8     A  65           H8         A  65   7.071 -19.598   1.900
  703   1H6     A  65          1H6         A  65   1.289 -17.771   3.059
  704   2H6     A  65          2H6         A  65   2.813 -18.256   3.768
  705    H2     A  65           H2         A  65   1.819 -17.937  -1.403
  706   1H5*    A  66          1H5*        A  66   8.052 -14.711  -5.257
  707   2H5*    A  66          2H5*        A  66   7.712 -13.558  -3.952
  708    H4*    A  66           H4*        A  66   5.938 -14.496  -5.938
  709    H3*    A  66           H3*        A  66   5.746 -12.678  -3.576
  710    H2*    A  66           H2*        A  66   3.456 -13.013  -3.231
  711   2HO*    A  66          2HO*        A  66   2.252 -12.957  -4.948
  712    H1*    A  66           H1*        A  66   3.225 -15.650  -3.816
  713    H8     A  66           H8         A  66   6.548 -14.960  -2.071
  714   1H6     A  66          1H6         A  66   3.491 -15.761   3.241
  715   2H6     A  66          2H6         A  66   5.072 -15.570   2.510
  716    H2     A  66           H2         A  66   0.475 -15.681  -0.107
  717   1H5*    C  67          1H5*        C  67   2.993 -10.945  -5.326
  718   2H5*    C  67          2H5*        C  67   2.972  -9.175  -5.200
  719    H4*    C  67           H4*        C  67   1.306 -10.359  -3.729
  720    H3*    C  67           H3*        C  67   3.391  -8.525  -2.538
  721    H2*    C  67           H2*        C  67   2.617  -8.996  -0.375
  722   2HO*    C  67          2HO*        C  67   0.233  -9.716  -1.714
  723    H1*    C  67           H1*        C  67   1.936 -11.664  -0.768
  724   1H4     C  67          1H4         C  67   7.549 -11.822   2.230
  725   2H4     C  67          2H4         C  67   8.378 -11.375   0.755
  726    H5     C  67           H5         C  67   7.231 -10.835  -1.293
  727    H6     C  67           H6         C  67   5.042 -10.602  -2.370
  728   1H5*    U  68          1H5*        U  68   0.435  -7.654  -0.544
  729   2H5*    U  68          2H5*        U  68  -0.272  -6.034  -0.706
  730    H4*    U  68           H4*        U  68  -0.075  -6.254   1.598
  731    H3*    U  68           H3*        U  68   2.434  -4.894   0.592
  732    H2*    U  68           H2*        U  68   3.306  -4.890   2.778
  733   2HO*    U  68          2HO*        U  68   0.592  -5.112   3.522
  734    H1*    U  68           H1*        U  68   2.253  -7.331   3.608
  735    H3     U  68           H3         U  68   6.663  -8.249   3.696
  736    H5     U  68           H5         U  68   5.836  -7.774  -0.409
  737    H6     U  68           H6         U  68   3.582  -7.109   0.189
  738   1H5*    U  69          1H5*        U  69   0.908  -3.299   3.826
  739   2H5*    U  69          2H5*        U  69   0.732  -1.548   4.060
  740    H4*    U  69           H4*        U  69   1.879  -2.437   5.974
  741    H3*    U  69           H3*        U  69   3.725  -0.960   4.081
  742    H2*    U  69           H2*        U  69   5.521  -1.422   5.509
  743   2HO*    U  69          2HO*        U  69   4.826  -2.388   7.716
  744    H1*    U  69           H1*        U  69   4.636  -3.921   6.424
  745    H3     U  69           H3         U  69   8.506  -5.095   4.430
  746    H5     U  69           H5         U  69   6.133  -3.719   1.233
  747    H6     U  69           H6         U  69   4.449  -3.059   2.849
  748   1H5*    G  70          1H5*        G  70   4.465   0.104   7.738
  749   2H5*    G  70          2H5*        G  70   4.930   1.779   8.090
  750    H4*    G  70           H4*        G  70   6.718   0.279   8.752
  751    H3*    G  70           H3*        G  70   7.331   1.933   6.287
  752    H2*    G  70           H2*        G  70   9.421   0.908   6.157
  753   2HO*    G  70          2HO*        G  70   9.107   0.418   8.942
  754    H1*    G  70           H1*        G  70   8.682  -1.535   7.421
  755    H8     G  70           H8         G  70   6.891  -0.376   4.199
  756    H1     G  70           H1         G  70  12.028  -4.090   3.307
  757   1H2     G  70          1H2         G  70  13.052  -4.435   5.249
  758   2H2     G  70          2H2         G  70  12.463  -3.755   6.749
  759   1H5*    G  71          1H5*        G  71  10.268   2.733  10.059
  760   2H5*    G  71          2H5*        G  71  10.381   4.500   9.944
  761    H4*    G  71           H4*        G  71  12.568   3.786  10.464
  762    H3*    G  71           H3*        G  71  12.257   4.395   7.529
  763    H2*    G  71           H2*        G  71  14.445   3.648   7.067
  764   2HO*    G  71          2HO*        G  71  15.812   4.393   8.519
  765    H1*    G  71           H1*        G  71  14.469   1.445   8.668
  766    H8     G  71           H8         G  71  11.018   2.005   7.143
  767    H1     G  71           H1         G  71  15.070  -1.092   3.273
  768   1H2     G  71          1H2         G  71  17.101  -1.118   4.171
  769   2H2     G  71          2H2         G  71  17.463  -0.351   5.700
  770   1H5*    U  72          1H5*        U  72  15.951   6.166   8.343
  771   2H5*    U  72          2H5*        U  72  15.908   7.867   7.841
  772    H4*    U  72           H4*        U  72  17.826   6.701   6.852
  773    H3*    U  72           H3*        U  72  15.655   7.592   4.940
  774    H2*    U  72           H2*        U  72  16.879   6.699   3.146
  775   2HO*    U  72          2HO*        U  72  19.042   7.170   4.853
  776    H1*    U  72           H1*        U  72  17.987   4.516   4.504
  777    H3     U  72           H3         U  72  15.480   2.575   1.274
  778    H5     U  72           H5         U  72  12.637   4.150   3.960
  779    H6     U  72           H6         U  72  14.461   5.191   5.179
  780   1H5*    U  73          1H5*        U  73  19.337   8.713   3.316
  781   2H5*    U  73          2H5*        U  73  19.332  10.427   2.864
  782    H4*    U  73           H4*        U  73  20.168   9.152   1.000
  783    H3*    U  73           H3*        U  73  17.331  10.131   0.558
  784    H2*    U  73           H2*        U  73  17.420   9.186  -1.603
  785   2HO*    U  73          2HO*        U  73  20.222   8.793  -1.307
  786    H1*    U  73           H1*        U  73  18.894   6.927  -0.909
  787    H3     U  73           H3         U  73  14.923   5.204  -2.199
  788    H5     U  73           H5         U  73  14.037   7.151   1.437
  789    H6     U  73           H6         U  73  16.313   7.997   1.461
  790   1H5*    C  74          1H5*        C  74  19.612  10.722  -2.731
  791   2H5*    C  74          2H5*        C  74  19.381  12.293  -3.520
  792    H4*    C  74           H4*        C  74  19.109  10.503  -5.141
  793    H3*    C  74           H3*        C  74  16.474  11.832  -4.412
  794    H2*    C  74           H2*        C  74  15.510  10.517  -6.136
  795   2HO*    C  74          2HO*        C  74  17.166   9.181  -7.414
  796    H1*    C  74           H1*        C  74  17.018   8.231  -5.603
  797   1H4     C  74          1H4         C  74  11.390   7.109  -2.864
  798   2H4     C  74          2H4         C  74  11.741   8.258  -1.594
  799    H5     C  74           H5         C  74  13.744   9.598  -1.542
  800    H6     C  74           H6         C  74  15.821  10.153  -2.714
  801   1H5*    U  75          1H5*        U  75  17.235  12.745  -8.330
  802   2H5*    U  75          2H5*        U  75  16.435  14.118  -9.119
  803    H4*    U  75           H4*        U  75  15.558  11.914  -9.864
  804    H3*    U  75           H3*        U  75  13.647  13.754  -8.394
  805    H2*    U  75           H2*        U  75  11.960  12.159  -8.730
  806   2HO*    U  75          2HO*        U  75  11.810  11.112 -10.548
  807    H1*    U  75           H1*        U  75  13.615   9.888  -8.595
  808    H3     U  75           H3         U  75  10.510   9.280  -5.343
  809    H5     U  75           H5         U  75  13.106  12.203  -3.774
  810    H6     U  75           H6         U  75  14.200  12.300  -5.939
  811   1H5*    U  76          1H5*        U  76  11.905  13.216 -12.330
  812   2H5*    U  76          2H5*        U  76  11.340  14.768 -12.982
  813    H4*    U  76           H4*        U  76   9.526  13.159 -13.068
  814    H3*    U  76           H3*        U  76   9.229  15.369 -11.039
  815    H2*    U  76           H2*        U  76   7.287  14.429 -10.170
  816   2HO*    U  76          2HO*        U  76   6.313  14.309 -12.302
  817    H1*    U  76           H1*        U  76   7.825  11.723 -10.722
  818    H3     U  76           H3         U  76   7.237  11.725  -6.238
  819    H5     U  76           H5         U  76  10.900  13.724  -6.791
  820    H6     U  76           H6         U  76  10.483  13.679  -9.182
  821   1H5*    C  77          1H5*        C  77   5.092  17.347 -13.109
  822   2H5*    C  77          2H5*        C  77   5.070  18.108 -11.506
  823    H4*    C  77           H4*        C  77   3.607  15.780 -12.500
  824    H3*    C  77           H3*        C  77   3.337  17.737 -10.228
  825    H2*    C  77           H2*        C  77   2.180  16.199  -8.897
  826   2HO*    C  77          2HO*        C  77   0.870  15.624 -10.920
  827    H1*    C  77           H1*        C  77   3.473  13.882  -9.647
  828   1H4     C  77          1H4         C  77   6.064  15.876  -4.143
  829   2H4     C  77          2H4         C  77   7.356  16.611  -5.062
  830    H5     C  77           H5         C  77   7.357  16.738  -7.468
  831    H6     C  77           H6         C  77   6.123  16.175  -9.510
  832   1H5*    C  78          1H5*        C  78  -0.551  15.550  -9.804
  833   2H5*    C  78          2H5*        C  78  -1.549  16.845 -10.492
  834    H4*    C  78           H4*        C  78  -2.551  16.137  -8.421
  835    H3*    C  78           H3*        C  78  -1.223  18.836  -8.364
  836    H2*    C  78           H2*        C  78  -1.472  19.043  -6.066
  837   2HO*    C  78          2HO*        C  78  -3.379  18.690  -5.286
  838    H1*    C  78           H1*        C  78  -1.498  16.310  -5.357
  839   1H4     C  78          1H4         C  78   4.065  18.445  -3.138
  840   2H4     C  78          2H4         C  78   4.674  18.648  -4.765
  841    H5     C  78           H5         C  78   3.344  18.254  -6.731
  842    H6     C  78           H6         C  78   1.136  17.595  -7.566
  843   1H5*    U  79          1H5*        U  79  -4.955  21.656  -6.362
  844   2H5*    U  79          2H5*        U  79  -3.283  22.189  -6.090
  845    H4*    U  79           H4*        U  79  -5.078  20.570  -4.279
  846    H3*    U  79           H3*        U  79  -3.656  23.208  -4.093
  847    H2*    U  79           H2*        U  79  -2.912  22.818  -1.931
  848   2HO*    U  79          2HO*        U  79  -4.509  22.366  -0.641
  849    H1*    U  79           H1*        U  79  -2.860  19.998  -1.945
  850    H3     U  79           H3         U  79   1.298  21.413  -0.684
  851    H5     U  79           H5         U  79   1.219  21.778  -4.883
  852    H6     U  79           H6         U  79  -1.160  21.301  -4.813
  853   1H5*    A  80          1H5*        A  80  -6.275  25.896  -0.868
  854   2H5*    A  80          2H5*        A  80  -4.933  26.765  -1.638
  855    H4*    A  80           H4*        A  80  -5.055  25.356   0.981
  856    H3*    A  80           H3*        A  80  -4.526  27.980   0.221
  857    H2*    A  80           H2*        A  80  -2.364  27.714  -0.616
  858   2HO*    A  80          2HO*        A  80  -2.188  27.832   2.190
  859    H1*    A  80           H1*        A  80  -1.658  25.485   1.254
  860    H8     A  80           H8         A  80  -2.231  25.826  -2.588
  861   1H6     A  80          1H6         A  80   3.663  24.036  -3.080
  862   2H6     A  80          2H6         A  80   2.215  24.474  -3.959
  863    H2     A  80           H2         A  80   2.666  24.330   1.293
  864   1H5*    A  81          1H5*        A  81  -7.138  27.506   5.427
  865   2H5*    A  81          2H5*        A  81  -5.890  28.759   5.261
  866    H4*    A  81           H4*        A  81  -6.139  27.067   7.400
  867    H3*    A  81           H3*        A  81  -3.861  28.690   6.326
  868    H2*    A  81           H2*        A  81  -2.235  27.505   7.488
  869   2HO*    A  81          2HO*        A  81  -3.474  27.812   9.504
  870    H1*    A  81           H1*        A  81  -3.429  24.996   7.613
  871    H8     A  81           H8         A  81  -3.721  25.969   4.047
  872   1H6     A  81          1H6         A  81   2.215  24.419   3.329
  873   2H6     A  81          2H6         A  81   0.725  24.829   2.507
  874    H2     A  81           H2         A  81   1.345  24.551   7.737
  875   1H5*    G  82          1H5*        G  82  -1.858  30.626  10.383
  876   2H5*    G  82          2H5*        G  82  -0.897  30.958   8.927
  877    H4*    G  82           H4*        G  82  -0.643  28.791  10.942
  878    H3*    G  82           H3*        G  82   1.174  30.563   9.403
  879    H2*    G  82           H2*        G  82   2.682  28.931   8.738
  880   2HO*    G  82          2HO*        G  82   2.479  26.771   9.967
  881    H1*    G  82           H1*        G  82   1.083  26.730   8.484
  882    H8     G  82           H8         G  82  -1.050  29.329   6.955
  883    H1     G  82           H1         G  82   3.942  27.891   3.212
  884   1H2     G  82          1H2         G  82   5.434  26.710   4.354
  885   2H2     G  82          2H2         G  82   5.202  26.277   6.033
  886   1H5*    U  83          1H5*        U  83   3.996  29.082  11.509
  887   2H5*    U  83          2H5*        U  83   4.721  30.167  12.713
  888    H4*    U  83           H4*        U  83   6.547  29.422  11.439
  889    H3*    U  83           H3*        U  83   5.629  32.150  10.574
  890    H2*    U  83           H2*        U  83   7.041  32.169   8.707
  891   2HO*    U  83          2HO*        U  83   8.481  30.121  10.060
  892    H1*    U  83           H1*        U  83   6.917  29.510   8.004
  893    H3     U  83           H3         U  83   4.751  31.537   4.583
  894    H5     U  83           H5         U  83   2.034  31.773   7.795
  895    H6     U  83           H6         U  83   3.759  30.862   9.239
  896   1H5*    C  84          1H5*        C  84   9.403  32.337  10.419
  897   2H5*    C  84          2H5*        C  84  10.334  33.579  11.280
  898    H4*    C  84           H4*        C  84  10.955  33.771   8.999
  899    H3*    C  84           H3*        C  84   8.975  35.891   9.829
  900    H2*    C  84           H2*        C  84   8.821  36.693   7.646
  901   2HO*    C  84          2HO*        C  84  10.963  35.311   6.557
  902    H1*    C  84           H1*        C  84   9.262  34.285   6.277
  903   1H4     C  84          1H4         C  84   3.044  35.382   5.574
  904   2H4     C  84          2H4         C  84   2.755  35.045   7.266
  905    H5     C  84           H5         C  84   4.517  34.560   8.836
  906    H6     C  84           H6         C  84   6.938  34.313   9.127
  907   1H5*    C  85          1H5*        C  85  12.020  37.039   7.406
  908   2H5*    C  85          2H5*        C  85  13.071  38.353   7.970
  909    H4*    C  85           H4*        C  85  12.727  38.725   5.646
  910    H3*    C  85           H3*        C  85  11.042  40.545   7.368
  911    H2*    C  85           H2*        C  85  10.031  41.478   5.461
  912   2HO*    C  85          2HO*        C  85  10.916  41.124   3.350
  913    H1*    C  85           H1*        C  85   9.840  39.183   3.948
  914   1H4     C  85          1H4         C  85   4.110  39.696   6.666
  915   2H4     C  85          2H4         C  85   4.770  39.238   8.219
  916    H5     C  85           H5         C  85   7.112  38.846   8.594
  917    H6     C  85           H6         C  85   9.337  38.818   7.568
  918   1H5*    U  86          1H5*        U  86  12.136  42.422   3.987
  919   2H5*    U  86          2H5*        U  86  12.747  44.066   4.253
  920    H4*    U  86           H4*        U  86  10.864  43.945   2.616
  921    H3*    U  86           H3*        U  86  10.584  45.561   5.138
  922    H2*    U  86           H2*        U  86   8.338  45.870   4.814
  923   2HO*    U  86          2HO*        U  86   7.575  46.612   2.958
  924    H1*    U  86           H1*        U  86   8.002  43.820   2.762
  925    H3     U  86           H3         U  86   4.121  43.279   4.973
  926    H5     U  86           H5         U  86   7.052  42.359   7.863
  927    H6     U  86           H6         U  86   8.743  43.058   6.268
  928    H3T    U  86           H3T        U  86  10.565  47.203   3.430
  929   1HN1  NCO 101          1HN1      NCO 101 -12.113   9.173   4.436
  930   2HN1  NCO 101          2HN1      NCO 101 -13.743   9.217   4.296
  931   3HN1  NCO 101          3HN1      NCO 101 -13.050   9.222   5.779
  932   1HN2  NCO 101          1HN2      NCO 101 -11.440  10.915   6.719
  933   2HN2  NCO 101          2HN2      NCO 101 -10.994  12.383   6.146
  934   3HN2  NCO 101          3HN2      NCO 101 -10.526  11.022   5.365
  935   1HN3  NCO 101          1HN3      NCO 101 -13.453  11.947   7.184
  936   2HN3  NCO 101          2HN3      NCO 101 -14.803  12.131   6.277
  937   3HN3  NCO 101          3HN3      NCO 101 -14.278  10.630   6.668
  938   1HN4  NCO 101          1HN4      NCO 101 -15.229  12.104   4.180
  939   2HN4  NCO 101          2HN4      NCO 101 -14.876  10.615   3.600
  940   3HN4  NCO 101          3HN4      NCO 101 -14.335  11.947   2.817
  941   1HN5  NCO 101          1HN5      NCO 101 -12.300  11.912   2.421
  942   2HN5  NCO 101          2HN5      NCO 101 -10.934  11.877   3.322
  943   3HN5  NCO 101          3HN5      NCO 101 -11.676  10.478   2.904
  944   1HN6  NCO 101          1HN6      NCO 101 -13.257  13.830   3.958
  945   2HN6  NCO 101          2HN6      NCO 101 -11.864  13.778   4.815
  946   3HN6  NCO 101          3HN6      NCO 101 -13.301  13.840   5.595
  947   1HN1  NCO 102          1HN1      NCO 102  -9.400 -14.620  -3.689
  948   2HN1  NCO 102          2HN1      NCO 102 -10.272 -14.325  -2.335
  949   3HN1  NCO 102          3HN1      NCO 102  -8.689 -14.731  -2.218
  950   1HN2  NCO 102          1HN2      NCO 102 -10.187 -16.211  -0.219
  951   2HN2  NCO 102          2HN2      NCO 102 -11.381 -17.267  -0.595
  952   3HN2  NCO 102          3HN2      NCO 102 -11.534 -15.684  -0.987
  953   1HN3  NCO 102          1HN3      NCO 102  -8.025 -16.348  -1.232
  954   2HN3  NCO 102          2HN3      NCO 102  -8.458 -17.919  -1.068
  955   3HN3  NCO 102          3HN3      NCO 102  -7.637 -17.432  -2.398
  956   1HN4  NCO 102          1HN4      NCO 102  -9.378 -16.352  -4.983
  957   2HN4  NCO 102          2HN4      NCO 102  -8.175 -17.169  -4.232
  958   3HN4  NCO 102          3HN4      NCO 102  -9.506 -17.968  -4.755
  959   1HN5  NCO 102          1HN5      NCO 102 -11.522 -15.958  -4.435
  960   2HN5  NCO 102          2HN5      NCO 102 -12.232 -17.235  -3.696
  961   3HN5  NCO 102          3HN5      NCO 102 -12.260 -15.760  -2.987
  962   1HN6  NCO 102          1HN6      NCO 102 -10.220 -19.055  -1.613
  963   2HN6  NCO 102          2HN6      NCO 102 -10.083 -19.207  -3.237
  964   3HN6  NCO 102          3HN6      NCO 102 -11.520 -18.789  -2.573
  965   1HN1  NCO 103          1HN1      NCO 103   9.835 -11.691   1.801
  966   2HN1  NCO 103          2HN1      NCO 103  11.329 -12.047   1.235
  967   3HN1  NCO 103          3HN1      NCO 103  10.552 -10.703   0.710
  968   1HN2  NCO 103          1HN2      NCO 103  10.990 -12.597   3.652
  969   2HN2  NCO 103          2HN2      NCO 103  11.348 -11.716   4.986
  970   3HN2  NCO 103          3HN2      NCO 103  12.552 -12.267   4.021
  971   1HN3  NCO 103          1HN3      NCO 103   9.132 -10.701   3.523
  972   2HN3  NCO 103          2HN3      NCO 103   9.326  -9.105   3.218
  973   3HN3  NCO 103          3HN3      NCO 103   9.775  -9.721   4.667
  974   1HN4  NCO 103          1HN4      NCO 103  10.467  -8.517   1.558
  975   2HN4  NCO 103          2HN4      NCO 103  11.668  -7.842   2.444
  976   3HN4  NCO 103          3HN4      NCO 103  12.028  -8.714   1.104
  977   1HN5  NCO 103          1HN5      NCO 103  13.927 -10.857   2.978
  978   2HN5  NCO 103          2HN5      NCO 103  13.238 -11.404   1.597
  979   3HN5  NCO 103          3HN5      NCO 103  13.631  -9.821   1.746
  980   1HN6  NCO 103          1HN6      NCO 103  11.910  -8.332   4.494
  981   2HN6  NCO 103          2HN6      NCO 103  13.300  -9.185   4.330
  982   3HN6  NCO 103          3HN6      NCO 103  12.118  -9.729   5.324
  983   1HN1  NCO 104          1HN1      NCO 104   9.926  17.125  -1.583
  984   2HN1  NCO 104          2HN1      NCO 104  11.233  16.180  -1.866
  985   3HN1  NCO 104          3HN1      NCO 104  10.890  16.669  -0.342
  986   1HN2  NCO 104          1HN2      NCO 104   7.608  15.514  -2.530
  987   2HN2  NCO 104          2HN2      NCO 104   8.428  14.257  -3.186
  988   3HN2  NCO 104          3HN2      NCO 104   9.078  15.759  -3.209
  989   1HN3  NCO 104          1HN3      NCO 104   8.167  16.844  -0.294
  990   2HN3  NCO 104          2HN3      NCO 104   7.114  15.591  -0.325
  991   3HN3  NCO 104          3HN3      NCO 104   8.124  15.781   0.950
  992   1HN4  NCO 104          1HN4      NCO 104  11.255  14.418   0.636
  993   2HN4  NCO 104          2HN4      NCO 104  10.040  15.199   1.407
  994   3HN4  NCO 104          3HN4      NCO 104   9.946  13.583   1.155
  995   1HN5  NCO 104          1HN5      NCO 104  11.650  14.121  -1.713
  996   2HN5  NCO 104          2HN5      NCO 104  10.762  12.772  -1.447
  997   3HN5  NCO 104          3HN5      NCO 104  10.546  13.635  -2.821
  998   1HN6  NCO 104          1HN6      NCO 104   7.452  13.245  -1.300
  999   2HN6  NCO 104          2HN6      NCO 104   8.772  12.360  -0.902
 1000   3HN6  NCO 104          3HN6      NCO 104   7.935  13.152   0.262
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   6.938 -46.426  -6.992
    2   2H5*    G   1          2H5*        G   1   7.644 -44.808  -7.190
    3    H4*    G   1           H4*        G   1   6.867 -45.425  -9.338
    4    H3*    G   1           H3*        G   1   5.112 -43.454  -7.928
    5    H2*    G   1           H2*        G   1   3.349 -43.648  -9.451
    6   2HO*    G   1          2HO*        G   1   5.405 -44.392 -11.189
    7    H1*    G   1           H1*        G   1   3.470 -46.317 -10.012
    8    H8     G   1           H8         G   1   4.184 -46.125  -6.348
    9    H1     G   1           H1         G   1  -2.011 -45.162  -7.661
   10   1H2     G   1          1H2         G   1  -2.289 -44.883  -9.844
   11   2H2     G   1          2H2         G   1  -0.956 -44.930 -10.976
   12    H5T    G   1           H5T        G   1   6.311 -44.175  -5.732
   13   1H5*    G   2          1H5*        G   2   4.400 -42.564 -11.427
   14   2H5*    G   2          2H5*        G   2   4.833 -40.934 -11.981
   15    H4*    G   2           H4*        G   2   2.512 -41.340 -12.508
   16    H3*    G   2           H3*        G   2   2.983 -39.393 -10.250
   17    H2*    G   2           H2*        G   2   0.705 -39.241  -9.821
   18   2HO*    G   2          2HO*        G   2  -0.153 -40.359 -12.235
   19    H1*    G   2           H1*        G   2  -0.072 -41.788 -10.819
   20    H8     G   2           H8         G   2   2.523 -42.066  -8.089
   21    H1     G   2           H1         G   2  -3.440 -41.279  -5.878
   22   1H2     G   2          1H2         G   2  -4.794 -40.728  -7.539
   23   2H2     G   2          2H2         G   2  -4.236 -40.558  -9.188
   24   1H5*    G   3          1H5*        G   3   0.199 -38.253 -12.922
   25   2H5*    G   3          2H5*        G   3   0.366 -36.692 -13.751
   26    H4*    G   3           H4*        G   3  -1.932 -36.922 -13.123
   27    H3*    G   3           H3*        G   3  -0.380 -34.989 -11.404
   28    H2*    G   3           H2*        G   3  -2.208 -34.664  -9.988
   29   2HO*    G   3          2HO*        G   3  -4.364 -35.323 -10.698
   30    H1*    G   3           H1*        G   3  -3.348 -37.210 -10.171
   31    H8     G   3           H8         G   3   0.424 -37.090  -9.465
   32    H1     G   3           H1         G   3  -3.271 -36.873  -4.242
   33   1H2     G   3          1H2         G   3  -5.406 -36.666  -4.836
   34   2H2     G   3          2H2         G   3  -5.910 -36.580  -6.507
   35   1H5*    A   4          1H5*        A   4  -4.102 -33.816 -12.082
   36   2H5*    A   4          2H5*        A   4  -4.321 -32.251 -12.892
   37    H4*    A   4           H4*        A   4  -5.901 -32.390 -11.080
   38    H3*    A   4           H3*        A   4  -3.598 -30.501 -10.635
   39    H2*    A   4           H2*        A   4  -4.232 -30.087  -8.435
   40   2HO*    A   4          2HO*        A   4  -6.653 -31.091  -8.120
   41    H1*    A   4           H1*        A   4  -5.443 -32.551  -7.846
   42    H8     A   4           H8         A   4  -1.877 -32.450  -9.334
   43   1H6     A   4          1H6         A   4   0.062 -32.799  -3.483
   44   2H6     A   4          2H6         A   4   0.551 -32.788  -5.161
   45    H2     A   4           H2         A   4  -4.415 -32.397  -3.432
   46   1H5*    U   5          1H5*        U   5  -7.079 -28.685  -9.000
   47   2H5*    U   5          2H5*        U   5  -7.041 -26.942  -9.329
   48    H4*    U   5           H4*        U   5  -7.139 -27.578  -6.886
   49    H3*    U   5           H3*        U   5  -4.994 -25.806  -8.023
   50    H2*    U   5           H2*        U   5  -3.747 -25.831  -6.068
   51   2HO*    U   5          2HO*        U   5  -5.737 -26.799  -4.377
   52    H1*    U   5           H1*        U   5  -4.582 -28.312  -5.009
   53    H3     U   5           H3         U   5  -0.148 -29.037  -5.132
   54    H5     U   5           H5         U   5  -1.180 -28.596  -9.196
   55    H6     U   5           H6         U   5  -3.435 -28.036  -8.495
   56   1H5*    A   6          1H5*        A   6  -8.268 -22.301  -5.866
   57   2H5*    A   6          2H5*        A   6  -7.117 -21.152  -5.151
   58    H4*    A   6           H4*        A   6  -8.501 -23.506  -3.896
   59    H3*    A   6           H3*        A   6  -8.913 -20.811  -3.584
   60    H2*    A   6           H2*        A   6  -6.906 -20.155  -2.597
   61   2HO*    A   6          2HO*        A   6  -8.222 -21.449  -0.424
   62    H1*    A   6           H1*        A   6  -6.391 -22.663  -1.096
   63    H8     A   6           H8         A   6  -4.825 -21.424  -4.416
   64   1H6     A   6          1H6         A   6   0.228 -20.310  -1.035
   65   2H6     A   6          2H6         A   6  -0.447 -20.309  -2.649
   66    H2     A   6           H2         A   6  -3.032 -21.646   1.748
   67   1H5*    U   7          1H5*        U   7 -11.204 -20.969   1.600
   68   2H5*    U   7          2H5*        U   7 -10.394 -19.497   1.028
   69    H4*    U   7           H4*        U   7  -9.886 -20.241   3.419
   70    H3*    U   7           H3*        U   7  -8.203 -18.961   1.603
   71    H2*    U   7           H2*        U   7  -6.874 -20.803   1.013
   72   2HO*    U   7          2HO*        U   7  -5.146 -21.017   2.692
   73    H1*    U   7           H1*        U   7  -7.074 -22.009   3.761
   74    H3     U   7           H3         U   7  -8.066 -26.217   1.478
   75    H5     U   7           H5         U   7  -4.595 -24.313   0.027
   76    H6     U   7           H6         U   7  -5.272 -22.314   1.227
   77   1H5*    G   8          1H5*        G   8  -4.494 -19.682   3.931
   78   2H5*    G   8          2H5*        G   8  -4.812 -18.343   5.054
   79    H4*    G   8           H4*        G   8  -2.553 -18.064   4.623
   80    H3*    G   8           H3*        G   8  -4.180 -16.315   2.833
   81    H2*    G   8           H2*        G   8  -2.451 -15.845   1.354
   82   2HO*    G   8          2HO*        G   8  -0.775 -16.446   3.558
   83    H1*    G   8           H1*        G   8  -1.001 -18.184   1.459
   84    H8     G   8           H8         G   8  -4.447 -19.440   1.161
   85    H1     G   8           H1         G   8  -2.466 -16.782  -4.309
   86   1H2     G   8          1H2         G   8  -0.617 -15.620  -3.963
   87   2H2     G   8          2H2         G   8   0.130 -15.491  -2.390
   88   1H5*    G   9          1H5*        G   9  -3.013 -11.909   2.670
   89   2H5*    G   9          2H5*        G   9  -4.046 -12.562   1.381
   90    H4*    G   9           H4*        G   9  -1.058 -12.192   1.427
   91    H3*    G   9           H3*        G   9  -3.327 -11.246  -0.274
   92    H2*    G   9           H2*        G   9  -2.254 -11.682  -2.302
   93   2HO*    G   9          2HO*        G   9  -0.280 -10.958  -2.372
   94    H1*    G   9           H1*        G   9  -0.900 -13.966  -1.683
   95    H8     G   9           H8         G   9  -3.927 -14.924   0.012
   96    H1     G   9           H1         G   9  -5.063 -14.382  -6.265
   97   1H2     G   9          1H2         G   9  -3.413 -13.248  -7.239
   98   2H2     G   9          2H2         G   9  -2.037 -12.638  -6.349
   99   1H5*    A  10          1H5*        A  10  -0.369  -8.344  -1.439
  100   2H5*    A  10          2H5*        A  10  -0.945  -6.702  -1.088
  101    H4*    A  10           H4*        A  10  -0.350  -6.906  -3.446
  102    H3*    A  10           H3*        A  10  -3.273  -6.546  -2.801
  103    H2*    A  10           H2*        A  10  -3.870  -6.767  -5.052
  104   2HO*    A  10          2HO*        A  10  -2.458  -6.377  -6.735
  105    H1*    A  10           H1*        A  10  -1.957  -8.625  -5.823
  106    H8     A  10           H8         A  10  -3.398  -9.824  -2.573
  107   1H6     A  10          1H6         A  10  -8.179 -12.040  -5.800
  108   2H6     A  10          2H6         A  10  -7.387 -12.011  -4.239
  109    H2     A  10           H2         A  10  -5.741  -9.449  -8.544
  110   1H5*    A  11          1H5*        A  11  -2.064  -3.533  -5.747
  111   2H5*    A  11          2H5*        A  11  -2.889  -1.983  -5.487
  112    H4*    A  11           H4*        A  11  -3.153  -2.946  -7.798
  113    H3*    A  11           H3*        A  11  -5.577  -2.368  -6.084
  114    H2*    A  11           H2*        A  11  -6.988  -3.166  -7.786
  115   2HO*    A  11          2HO*        A  11  -5.464  -1.963  -9.387
  116    H1*    A  11           H1*        A  11  -5.384  -5.245  -8.672
  117    H8     A  11           H8         A  11  -5.406  -5.212  -4.886
  118   1H6     A  11          1H6         A  11 -10.719  -8.357  -5.224
  119   2H6     A  11          2H6         A  11  -9.458  -7.779  -4.158
  120    H2     A  11           H2         A  11  -9.671  -6.955  -9.361
  121   1H5*    G  12          1H5*        G  12  -6.501   0.391  -9.461
  122   2H5*    G  12          2H5*        G  12  -7.131   1.858  -8.684
  123    H4*    G  12           H4*        G  12  -8.748   0.772 -10.249
  124    H3*    G  12           H3*        G  12  -9.465   1.046  -7.323
  125    H2*    G  12           H2*        G  12 -11.523  -0.018  -7.720
  126   2HO*    G  12          2HO*        G  12 -12.543   0.014  -9.640
  127    H1*    G  12           H1*        G  12 -10.655  -1.818  -9.649
  128    H8     G  12           H8         G  12  -8.244  -1.731  -6.724
  129    H1     G  12           H1         G  12 -13.454  -5.286  -5.638
  130   1H2     G  12          1H2         G  12 -14.938  -4.965  -7.258
  131   2H2     G  12          2H2         G  12 -14.648  -3.878  -8.595
  132   1H5*    A  13          1H5*        A  13 -12.506   1.849  -9.159
  133   2H5*    A  13          2H5*        A  13 -13.077   3.522  -9.308
  134    H4*    A  13           H4*        A  13 -15.075   2.481  -8.895
  135    H3*    A  13           H3*        A  13 -13.914   3.131  -6.186
  136    H2*    A  13           H2*        A  13 -15.611   1.931  -5.111
  137   2HO*    A  13          2HO*        A  13 -17.608   1.864  -5.840
  138    H1*    A  13           H1*        A  13 -15.979  -0.073  -7.009
  139    H8     A  13           H8         A  13 -12.386   0.823  -5.890
  140   1H6     A  13          1H6         A  13 -13.000  -3.868  -1.915
  141   2H6     A  13          2H6         A  13 -11.902  -2.676  -2.573
  142    H2     A  13           H2         A  13 -16.955  -3.259  -3.958
  143   1H5*    A  14          1H5*        A  14 -18.080   3.563  -6.111
  144   2H5*    A  14          2H5*        A  14 -18.523   5.197  -5.582
  145    H4*    A  14           H4*        A  14 -19.883   3.650  -4.357
  146    H3*    A  14           H3*        A  14 -17.659   4.884  -2.737
  147    H2*    A  14           H2*        A  14 -18.116   3.522  -0.917
  148   2HO*    A  14          2HO*        A  14 -20.108   3.514  -0.276
  149    H1*    A  14           H1*        A  14 -19.285   1.336  -2.299
  150    H8     A  14           H8         A  14 -15.709   2.634  -3.038
  151   1H6     A  14          1H6         A  14 -13.822  -1.875   0.731
  152   2H6     A  14          2H6         A  14 -13.316  -0.598  -0.351
  153    H2     A  14           H2         A  14 -18.320  -1.826   0.780
  154   1H5*    C  15          1H5*        C  15 -21.795   4.644  -0.760
  155   2H5*    C  15          2H5*        C  15 -22.042   6.253  -0.053
  156    H4*    C  15           H4*        C  15 -22.784   4.649   1.558
  157    H3*    C  15           H3*        C  15 -20.115   5.884   2.240
  158    H2*    C  15           H2*        C  15 -19.923   4.519   4.141
  159   2HO*    C  15          2HO*        C  15 -22.724   4.416   3.938
  160    H1*    C  15           H1*        C  15 -21.100   2.226   3.119
  161   1H4     C  15          1H4         C  15 -14.881   1.050   2.559
  162   2H4     C  15          2H4         C  15 -14.708   2.307   1.355
  163    H5     C  15           H5         C  15 -16.524   3.723   0.654
  164    H6     C  15           H6         C  15 -18.892   4.266   0.982
  165   1H5*    C  16          1H5*        C  16 -21.928   5.796   5.650
  166   2H5*    C  16          2H5*        C  16 -21.726   7.214   6.700
  167    H4*    C  16           H4*        C  16 -20.746   5.266   7.767
  168    H3*    C  16           H3*        C  16 -18.775   7.324   6.758
  169    H2*    C  16           H2*        C  16 -16.985   5.985   7.420
  170   2HO*    C  16          2HO*        C  16 -18.183   4.080   8.927
  171    H1*    C  16           H1*        C  16 -18.231   3.474   7.105
  172   1H4     C  16          1H4         C  16 -13.994   3.710   2.387
  173   2H4     C  16          2H4         C  16 -14.863   5.016   1.609
  174    H5     C  16           H5         C  16 -16.834   6.039   2.554
  175    H6     C  16           H6         C  16 -18.380   6.044   4.457
  176   1H5*    G  17          1H5*        G  17 -18.416   6.458  11.413
  177   2H5*    G  17          2H5*        G  17 -18.121   8.079  12.075
  178    H4*    G  17           H4*        G  17 -16.659   6.458  13.154
  179    H3*    G  17           H3*        G  17 -15.322   8.450  11.324
  180    H2*    G  17           H2*        G  17 -13.239   7.436  11.660
  181   2HO*    G  17          2HO*        G  17 -12.903   5.968  13.436
  182    H1*    G  17           H1*        G  17 -14.089   4.799  11.888
  183    H8     G  17           H8         G  17 -15.659   6.713   8.980
  184    H1     G  17           H1         G  17  -9.996   4.080   7.594
  185   1H2     G  17          1H2         G  17  -9.057   3.271   9.444
  186   2H2     G  17          2H2         G  17  -9.822   3.388  11.013
  187   1H5*    G  18          1H5*        G  18 -12.746   7.581  14.188
  188   2H5*    G  18          2H5*        G  18 -12.484   8.982  15.244
  189    H4*    G  18           H4*        G  18 -10.334   8.073  14.817
  190    H3*    G  18           H3*        G  18 -10.887  10.531  13.158
  191    H2*    G  18           H2*        G  18  -8.915  10.265  11.967
  192   2HO*    G  18          2HO*        G  18  -7.775   8.504  13.852
  193    H1*    G  18           H1*        G  18  -8.625   7.454  12.253
  194    H8     G  18           H8         G  18 -11.853   8.808  10.677
  195    H1     G  18           H1         G  18  -7.134   7.724   6.501
  196   1H2     G  18          1H2         G  18  -5.265   7.197   7.580
  197   2H2     G  18          2H2         G  18  -5.179   7.122   9.325
  198   1H5*    G  19          1H5*        G  19  -6.743  10.256  14.658
  199   2H5*    G  19          2H5*        G  19  -6.344  11.838  15.355
  200    H4*    G  19           H4*        G  19  -4.575  10.973  13.840
  201    H3*    G  19           H3*        G  19  -5.985  13.551  13.173
  202    H2*    G  19           H2*        G  19  -4.938  13.701  11.108
  203   2HO*    G  19          2HO*        G  19  -2.915  11.961  11.200
  204    H1*    G  19           H1*        G  19  -4.432  10.941  10.672
  205    H8     G  19           H8         G  19  -8.032  12.161  11.290
  206    H1     G  19           H1         G  19  -6.313  11.903   5.128
  207   1H2     G  19          1H2         G  19  -4.151  11.431   4.960
  208   2H2     G  19          2H2         G  19  -3.133  11.180   6.361
  209   1H5*    G  20          1H5*        G  20  -4.635  17.595  13.720
  210   2H5*    G  20          2H5*        G  20  -6.062  17.247  12.723
  211    H4*    G  20           H4*        G  20  -3.161  17.206  12.005
  212    H3*    G  20           H3*        G  20  -5.693  18.277  10.827
  213    H2*    G  20           H2*        G  20  -5.144  17.688   8.628
  214   2HO*    G  20          2HO*        G  20  -3.153  17.750   7.912
  215    H1*    G  20           H1*        G  20  -3.969  15.278   9.045
  216    H8     G  20           H8         G  20  -6.623  15.143  11.605
  217    H1     G  20           H1         G  20  -9.101  14.792   5.716
  218   1H2     G  20          1H2         G  20  -7.565  15.312   4.212
  219   2H2     G  20          2H2         G  20  -5.930  15.751   4.650
  220   1H5*    A  21          1H5*        A  21  -6.715  22.113  10.774
  221   2H5*    A  21          2H5*        A  21  -7.295  20.711   9.852
  222    H4*    A  21           H4*        A  21  -7.636  23.166   8.944
  223    H3*    A  21           H3*        A  21  -7.073  20.640   7.467
  224    H2*    A  21           H2*        A  21  -6.351  21.661   5.500
  225   2HO*    A  21          2HO*        A  21  -7.812  23.074   4.885
  226    H1*    A  21           H1*        A  21  -5.121  23.904   6.469
  227    H8     A  21           H8         A  21  -4.335  20.903   8.678
  228   1H6     A  21          1H6         A  21   0.365  19.767   4.847
  229   2H6     A  21          2H6         A  21  -0.393  19.337   6.364
  230    H2     A  21           H2         A  21  -2.145  23.018   3.020
  231   1H5*    A  22          1H5*        A  22  -9.784  18.959   4.328
  232   2H5*    A  22          2H5*        A  22  -8.259  18.124   4.683
  233    H4*    A  22           H4*        A  22  -8.781  20.527   2.973
  234    H3*    A  22           H3*        A  22  -7.310  17.937   2.713
  235    H2*    A  22           H2*        A  22  -5.449  18.865   1.667
  236   2HO*    A  22          2HO*        A  22  -5.871  21.281   0.962
  237    H1*    A  22           H1*        A  22  -5.348  21.333   2.875
  238    H8     A  22           H8         A  22  -5.799  19.588   5.948
  239   1H6     A  22          1H6         A  22  -0.242  16.955   5.382
  240   2H6     A  22          2H6         A  22  -1.559  17.312   6.476
  241    H2     A  22           H2         A  22  -1.388  18.639   1.377
  242   1H5*    A  23          1H5*        A  23  -7.466  17.142  -2.319
  243   2H5*    A  23          2H5*        A  23  -7.553  15.633  -1.389
  244    H4*    A  23           H4*        A  23  -5.361  16.623  -2.850
  245    H3*    A  23           H3*        A  23  -5.840  14.295  -1.025
  246    H2*    A  23           H2*        A  23  -3.577  14.006  -0.519
  247   2HO*    A  23          2HO*        A  23  -2.398  13.983  -2.273
  248    H1*    A  23           H1*        A  23  -2.738  16.613  -0.490
  249    H8     A  23           H8         A  23  -6.174  16.151   1.132
  250   1H6     A  23          1H6         A  23  -3.105  15.229   6.414
  251   2H6     A  23          2H6         A  23  -4.684  15.463   5.694
  252    H2     A  23           H2         A  23  -0.093  15.384   3.066
  253   1H5*    C  24          1H5*        C  24  -3.594  12.597  -3.446
  254   2H5*    C  24          2H5*        C  24  -3.807  10.901  -3.929
  255    H4*    C  24           H4*        C  24  -2.098  11.194  -2.150
  256    H3*    C  24           H3*        C  24  -4.574   9.568  -1.564
  257    H2*    C  24           H2*        C  24  -3.909   9.255   0.650
  258   2HO*    C  24          2HO*        C  24  -1.663   9.648   1.265
  259    H1*    C  24           H1*        C  24  -2.532  11.672   1.020
  260   1H4     C  24          1H4         C  24  -7.954  12.414   4.260
  261   2H4     C  24          2H4         C  24  -8.863  12.545   2.771
  262    H5     C  24           H5         C  24  -7.872  12.267   0.592
  263    H6     C  24           H6         C  24  -5.800  11.805  -0.631
  264   1H5*    U  25          1H5*        U  25  -1.709   7.866   0.191
  265   2H5*    U  25          2H5*        U  25  -1.367   6.165  -0.182
  266    H4*    U  25           H4*        U  25  -1.515   6.374   2.203
  267    H3*    U  25           H3*        U  25  -3.931   5.060   0.951
  268    H2*    U  25           H2*        U  25  -4.984   4.932   3.031
  269   2HO*    U  25          2HO*        U  25  -2.527   5.392   4.377
  270    H1*    U  25           H1*        U  25  -3.786   7.203   4.217
  271    H3     U  25           H3         U  25  -8.157   8.219   4.627
  272    H5     U  25           H5         U  25  -7.483   8.365   0.469
  273    H6     U  25           H6         U  25  -5.241   7.528   0.869
  274   1H5*    U  26          1H5*        U  26  -2.555   3.379   4.155
  275   2H5*    U  26          2H5*        U  26  -1.956   1.708   4.193
  276    H4*    U  26           H4*        U  26  -3.153   1.813   6.173
  277    H3*    U  26           H3*        U  26  -5.063   0.845   4.036
  278    H2*    U  26           H2*        U  26  -6.808   0.847   5.596
  279   2HO*    U  26          2HO*        U  26  -4.859   1.001   7.668
  280    H1*    U  26           H1*        U  26  -5.982   3.049   7.101
  281    H3     U  26           H3         U  26  -9.836   4.727   5.507
  282    H5     U  26           H5         U  26  -7.598   3.984   2.017
  283    H6     U  26           H6         U  26  -5.874   2.996   3.409
  284   1H5*    G  27          1H5*        G  27  -5.447  -1.010   7.404
  285   2H5*    G  27          2H5*        G  27  -5.871  -2.730   7.504
  286    H4*    G  27           H4*        G  27  -7.539  -1.352   8.647
  287    H3*    G  27           H3*        G  27  -8.470  -2.708   6.104
  288    H2*    G  27           H2*        G  27 -10.566  -1.724   6.366
  289   2HO*    G  27          2HO*        G  27  -9.971  -1.316   9.123
  290    H1*    G  27           H1*        G  27  -9.702   0.566   7.822
  291    H8     G  27           H8         G  27  -8.282  -0.095   4.298
  292    H1     G  27           H1         G  27 -13.591   3.482   4.472
  293   1H2     G  27          1H2         G  27 -14.403   3.522   6.538
  294   2H2     G  27          2H2         G  27 -13.637   2.673   7.862
  295   1H5*    G  28          1H5*        G  28 -11.068  -4.010   9.846
  296   2H5*    G  28          2H5*        G  28 -10.844  -5.766   9.718
  297    H4*    G  28           H4*        G  28 -13.077  -5.692  10.248
  298    H3*    G  28           H3*        G  28 -12.836  -5.648   7.261
  299    H2*    G  28           H2*        G  28 -15.081  -5.064   6.925
  300   2HO*    G  28          2HO*        G  28 -16.675  -5.423   8.433
  301    H1*    G  28           H1*        G  28 -15.441  -3.329   8.995
  302    H8     G  28           H8         G  28 -11.949  -2.987   7.497
  303    H1     G  28           H1         G  28 -16.433   0.331   4.357
  304   1H2     G  28          1H2         G  28 -18.445  -0.164   5.157
  305   2H2     G  28          2H2         G  28 -18.684  -1.325   6.443
  306   1H5*    U  29          1H5*        U  29 -16.423  -7.942   7.797
  307   2H5*    U  29          2H5*        U  29 -16.165  -9.476   6.942
  308    H4*    U  29           H4*        U  29 -18.254  -8.412   6.228
  309    H3*    U  29           H3*        U  29 -16.036  -8.591   4.186
  310    H2*    U  29           H2*        U  29 -17.336  -7.444   2.613
  311   2HO*    U  29          2HO*        U  29 -19.606  -8.014   4.242
  312    H1*    U  29           H1*        U  29 -18.685  -5.743   4.359
  313    H3     U  29           H3         U  29 -16.289  -2.907   1.769
  314    H5     U  29           H5         U  29 -13.395  -4.744   4.225
  315    H6     U  29           H6         U  29 -15.135  -6.214   5.062
  316   1H5*    U  30          1H5*        U  30 -19.684  -9.225   2.564
  317   2H5*    U  30          2H5*        U  30 -19.855 -10.823   1.811
  318    H4*    U  30           H4*        U  30 -20.862  -9.236   0.334
  319    H3*    U  30           H3*        U  30 -18.138 -10.141  -0.629
  320    H2*    U  30           H2*        U  30 -18.337  -8.734  -2.495
  321   2HO*    U  30          2HO*        U  30 -20.668  -7.710  -2.643
  322    H1*    U  30           H1*        U  30 -19.730  -6.658  -1.254
  323    H3     U  30           H3         U  30 -15.884  -4.611  -2.403
  324    H5     U  30           H5         U  30 -14.709  -7.316   0.610
  325    H6     U  30           H6         U  30 -16.968  -8.205   0.597
  326   1H5*    C  31          1H5*        C  31 -20.802 -10.178  -4.002
  327   2H5*    C  31          2H5*        C  31 -20.325 -11.509  -5.074
  328    H4*    C  31           H4*        C  31 -20.261  -9.224  -6.129
  329    H3*    C  31           H3*        C  31 -17.731 -10.887  -6.003
  330    H2*    C  31           H2*        C  31 -16.577  -9.168  -7.081
  331   2HO*    C  31          2HO*        C  31 -17.691  -8.760  -8.877
  332    H1*    C  31           H1*        C  31 -18.153  -7.016  -6.112
  333   1H4     C  31          1H4         C  31 -12.515  -6.290  -3.277
  334   2H4     C  31          2H4         C  31 -12.761  -7.741  -2.328
  335    H5     C  31           H5         C  31 -14.690  -9.163  -2.569
  336    H6     C  31           H6         C  31 -16.780  -9.527  -3.797
  337   1H5*    U  32          1H5*        U  32 -18.154  -9.920 -10.343
  338   2H5*    U  32          2H5*        U  32 -17.852 -11.466 -11.162
  339    H4*    U  32           H4*        U  32 -16.415  -9.731 -12.092
  340    H3*    U  32           H3*        U  32 -15.054 -11.893 -10.485
  341    H2*    U  32           H2*        U  32 -12.982 -10.839 -10.705
  342   2HO*    U  32          2HO*        U  32 -14.154  -9.667 -12.997
  343    H1*    U  32           H1*        U  32 -13.853  -8.188 -10.725
  344    H3     U  32           H3         U  32 -11.360  -8.215  -6.981
  345    H5     U  32           H5         U  32 -14.598 -10.728  -6.019
  346    H6     U  32           H6         U  32 -15.357 -10.516  -8.315
  347   1H5*    U  33          1H5*        U  33 -13.080 -10.804 -14.330
  348   2H5*    U  33          2H5*        U  33 -12.461 -12.277 -15.101
  349    H4*    U  33           H4*        U  33 -10.809 -10.385 -14.970
  350    H3*    U  33           H3*        U  33 -10.225 -13.080 -13.767
  351    H2*    U  33           H2*        U  33  -8.280 -12.331 -12.750
  352   2HO*    U  33          2HO*        U  33  -7.622 -10.032 -13.821
  353    H1*    U  33           H1*        U  33  -8.929  -9.586 -12.498
  354    H3     U  33           H3         U  33  -7.915 -10.646  -8.223
  355    H5     U  33           H5         U  33 -11.443 -12.815  -8.991
  356    H6     U  33           H6         U  33 -11.301 -12.106 -11.306
  357   1H5*    C  34          1H5*        C  34  -5.760 -14.634 -15.224
  358   2H5*    C  34          2H5*        C  34  -6.810 -14.439 -13.805
  359    H4*    C  34           H4*        C  34  -4.669 -12.413 -14.471
  360    H3*    C  34           H3*        C  34  -4.301 -15.091 -13.159
  361    H2*    C  34           H2*        C  34  -3.196 -14.194 -11.324
  362   2HO*    C  34          2HO*        C  34  -2.573 -11.989 -13.015
  363    H1*    C  34           H1*        C  34  -4.360 -11.641 -11.265
  364   1H4     C  34          1H4         C  34  -6.734 -14.977  -6.344
  365   2H4     C  34          2H4         C  34  -8.107 -15.391  -7.346
  366    H5     C  34           H5         C  34  -8.241 -14.859  -9.688
  367    H6     C  34           H6         C  34  -7.088 -13.817 -11.583
  368   1H5*    C  35          1H5*        C  35   0.297 -16.153 -12.453
  369   2H5*    C  35          2H5*        C  35  -1.187 -16.491 -11.539
  370    H4*    C  35           H4*        C  35   0.849 -14.334 -10.879
  371    H3*    C  35           H3*        C  35   0.511 -17.140  -9.885
  372    H2*    C  35           H2*        C  35   0.537 -16.536  -7.640
  373   2HO*    C  35          2HO*        C  35   1.534 -14.638  -6.902
  374    H1*    C  35           H1*        C  35  -0.591 -14.001  -7.786
  375   1H4     C  35          1H4         C  35  -5.066 -18.064  -5.648
  376   2H4     C  35          2H4         C  35  -5.711 -18.119  -7.272
  377    H5     C  35           H5         C  35  -4.628 -17.094  -9.158
  378    H6     C  35           H6         C  35  -2.688 -15.795  -9.903
  379   1H5*    U  36          1H5*        U  36   4.111 -19.671 -10.094
  380   2H5*    U  36          2H5*        U  36   2.658 -20.519  -9.524
  381    H4*    U  36           H4*        U  36   4.354 -18.472  -8.105
  382    H3*    U  36           H3*        U  36   3.476 -21.286  -7.591
  383    H2*    U  36           H2*        U  36   2.916 -20.911  -5.371
  384   2HO*    U  36          2HO*        U  36   5.017 -20.018  -4.905
  385    H1*    U  36           H1*        U  36   2.193 -18.223  -5.465
  386    H3     U  36           H3         U  36  -1.268 -20.990  -4.057
  387    H5     U  36           H5         U  36  -1.671 -20.495  -8.224
  388    H6     U  36           H6         U  36   0.533 -19.480  -8.248
  389   1H5*    A  37          1H5*        A  37   6.304 -24.032  -5.491
  390   2H5*    A  37          2H5*        A  37   4.767 -24.652  -6.131
  391    H4*    A  37           H4*        A  37   5.427 -23.714  -3.342
  392    H3*    A  37           H3*        A  37   5.225 -26.265  -4.332
  393    H2*    A  37           H2*        A  37   2.971 -26.322  -4.943
  394   2HO*    A  37          2HO*        A  37   3.307 -27.565  -2.854
  395    H1*    A  37           H1*        A  37   1.983 -24.543  -2.774
  396    H8     A  37           H8         A  37   2.556 -23.940  -6.575
  397   1H6     A  37          1H6         A  37  -3.602 -23.615  -6.916
  398   2H6     A  37          2H6         A  37  -2.102 -23.467  -7.805
  399    H2     A  37           H2         A  37  -2.506 -24.651  -2.682
  400   1H5*    A  38          1H5*        A  38   7.729 -25.534   0.473
  401   2H5*    A  38          2H5*        A  38   8.049 -27.273   0.642
  402    H4*    A  38           H4*        A  38   7.147 -26.359   2.721
  403    H3*    A  38           H3*        A  38   5.506 -28.350   1.196
  404    H2*    A  38           H2*        A  38   3.599 -28.005   2.465
  405   2HO*    A  38          2HO*        A  38   3.760 -27.166   4.642
  406    H1*    A  38           H1*        A  38   4.047 -25.363   3.326
  407    H8     A  38           H8         A  38   4.274 -25.387  -0.400
  408   1H6     A  38          1H6         A  38  -1.897 -25.181  -0.541
  409   2H6     A  38          2H6         A  38  -0.431 -25.030  -1.483
  410    H2     A  38           H2         A  38  -0.640 -26.074   3.682
  411   1H5*    G  39          1H5*        G  39   4.222 -31.799   4.107
  412   2H5*    G  39          2H5*        G  39   3.441 -31.984   2.524
  413    H4*    G  39           H4*        G  39   2.565 -30.470   4.932
  414    H3*    G  39           H3*        G  39   1.303 -32.213   2.856
  415    H2*    G  39           H2*        G  39  -0.611 -30.914   2.621
  416   2HO*    G  39          2HO*        G  39  -1.271 -30.778   4.720
  417    H1*    G  39           H1*        G  39   0.397 -28.393   3.052
  418    H8     G  39           H8         G  39   2.950 -29.907   0.835
  419    H1     G  39           H1         G  39  -2.442 -28.549  -2.337
  420   1H2     G  39          1H2         G  39  -4.074 -28.101  -0.903
  421   2H2     G  39          2H2         G  39  -3.839 -28.138   0.830
  422   1H5*    U  40          1H5*        U  40  -2.076 -32.360   5.712
  423   2H5*    U  40          2H5*        U  40  -2.315 -34.108   5.916
  424    H4*    U  40           H4*        U  40  -4.359 -32.930   5.135
  425    H3*    U  40           H3*        U  40  -3.103 -35.097   3.478
  426    H2*    U  40           H2*        U  40  -4.503 -34.702   1.648
  427   2HO*    U  40          2HO*        U  40  -6.263 -32.938   2.855
  428    H1*    U  40           H1*        U  40  -4.769 -31.967   1.832
  429    H3     U  40           H3         U  40  -2.397 -32.600  -1.988
  430    H5     U  40           H5         U  40   0.408 -33.196   1.103
  431    H6     U  40           H6         U  40  -1.417 -33.057   2.696
  432   1H5*    C  41          1H5*        C  41  -6.795 -35.359   3.172
  433   2H5*    C  41          2H5*        C  41  -7.783 -36.773   3.591
  434    H4*    C  41           H4*        C  41  -8.429 -36.174   1.391
  435    H3*    C  41           H3*        C  41  -6.539 -38.524   1.430
  436    H2*    C  41           H2*        C  41  -6.401 -38.550  -0.893
  437   2HO*    C  41          2HO*        C  41  -8.349 -36.872  -1.685
  438    H1*    C  41           H1*        C  41  -6.779 -35.811  -1.381
  439   1H4     C  41          1H4         C  41  -0.609 -36.794  -2.535
  440   2H4     C  41          2H4         C  41  -0.294 -37.047  -0.834
  441    H5     C  41           H5         C  41  -2.022 -37.058   0.844
  442    H6     C  41           H6         C  41  -4.430 -36.850   1.249
  443   1H5*    C  42          1H5*        C  42  -9.670 -38.642  -1.160
  444   2H5*    C  42          2H5*        C  42 -10.804 -40.002  -1.029
  445    H4*    C  42           H4*        C  42 -10.546 -39.599  -3.351
  446    H3*    C  42           H3*        C  42  -8.931 -41.970  -2.419
  447    H2*    C  42           H2*        C  42  -7.998 -42.245  -4.557
  448   2HO*    C  42          2HO*        C  42  -9.495 -40.350  -5.901
  449    H1*    C  42           H1*        C  42  -7.712 -39.590  -5.227
  450   1H4     C  42          1H4         C  42  -1.976 -41.216  -3.004
  451   2H4     C  42          2H4         C  42  -2.590 -41.261  -1.367
  452    H5     C  42           H5         C  42  -4.903 -40.912  -0.813
  453    H6     C  42           H6         C  42  -7.138 -40.452  -1.706
  454   1H5*    U  43          1H5*        U  43 -10.061 -42.570  -6.146
  455   2H5*    U  43          2H5*        U  43 -10.835 -44.141  -6.432
  456    H4*    U  43           H4*        U  43  -8.940 -43.734  -7.968
  457    H3*    U  43           H3*        U  43  -8.813 -46.018  -6.026
  458    H2*    U  43           H2*        U  43  -6.571 -46.324  -6.321
  459   2HO*    U  43          2HO*        U  43  -6.215 -47.067  -8.245
  460    H1*    U  43           H1*        U  43  -6.102 -43.870  -7.869
  461    H3     U  43           H3         U  43  -2.141 -44.084  -5.753
  462    H5     U  43           H5         U  43  -4.932 -43.798  -2.603
  463    H6     U  43           H6         U  43  -6.704 -43.983  -4.251
  464    H3T    U  43           H3T        U  43  -9.418 -45.516  -8.677
  465   1H5*    G  44          1H5*        G  44  -9.067  43.994   3.098
  466   2H5*    G  44          2H5*        G  44  -8.761  42.258   2.901
  467    H4*    G  44           H4*        G  44  -8.712  43.570   0.761
  468    H3*    G  44           H3*        G  44  -6.441  41.858   1.684
  469    H2*    G  44           H2*        G  44  -4.919  42.675   0.106
  470   2HO*    G  44          2HO*        G  44  -7.114  42.832  -1.416
  471    H1*    G  44           H1*        G  44  -5.614  45.302   0.057
  472    H8     G  44           H8         G  44  -6.010  44.220   3.640
  473    H1     G  44           H1         G  44   0.111  45.158   2.006
  474   1H2     G  44          1H2         G  44   0.277  45.423  -0.192
  475   2H2     G  44          2H2         G  44  -1.112  45.364  -1.253
  476    H5T    G  44           H5T        G  44  -6.834  42.464   3.828
  477   1H5*    G  45          1H5*        G  45  -5.865  41.669  -1.925
  478   2H5*    G  45          2H5*        G  45  -5.985  40.080  -2.706
  479    H4*    G  45           H4*        G  45  -3.847  41.082  -3.250
  480    H3*    G  45           H3*        G  45  -3.738  38.726  -1.365
  481    H2*    G  45           H2*        G  45  -1.451  38.999  -1.058
  482   2HO*    G  45          2HO*        G  45  -1.482  40.257  -3.609
  483    H1*    G  45           H1*        G  45  -1.292  41.784  -1.620
  484    H8     G  45           H8         G  45  -3.655  41.015   1.231
  485    H1     G  45           H1         G  45   2.498  41.296   3.005
  486   1H2     G  45          1H2         G  45   3.798  41.331   1.210
  487   2H2     G  45          2H2         G  45   3.157  41.303  -0.417
  488   1H5*    G  46          1H5*        G  46  -1.228  38.496  -4.766
  489   2H5*    G  46          2H5*        G  46  -1.007  36.933  -5.579
  490    H4*    G  46           H4*        G  46   1.151  38.015  -5.101
  491    H3*    G  46           H3*        G  46   0.502  35.425  -3.702
  492    H2*    G  46           H2*        G  46   2.462  35.524  -2.427
  493   2HO*    G  46          2HO*        G  46   3.409  37.447  -4.308
  494    H1*    G  46           H1*        G  46   2.606  38.266  -2.063
  495    H8     G  46           H8         G  46  -0.926  36.922  -1.543
  496    H1     G  46           H1         G  46   2.835  36.425   3.616
  497   1H2     G  46          1H2         G  46   4.923  36.937   3.077
  498   2H2     G  46          2H2         G  46   5.393  37.393   1.456
  499   1H5*    A  47          1H5*        A  47   4.315  34.939  -5.407
  500   2H5*    A  47          2H5*        A  47   4.497  33.475  -6.393
  501    H4*    A  47           H4*        A  47   6.304  33.556  -4.798
  502    H3*    A  47           H3*        A  47   4.202  31.464  -4.280
  503    H2*    A  47           H2*        A  47   5.138  30.880  -2.230
  504   2HO*    A  47          2HO*        A  47   7.494  31.665  -3.498
  505    H1*    A  47           H1*        A  47   6.261  33.352  -1.524
  506    H8     A  47           H8         A  47   2.560  33.332  -2.564
  507   1H6     A  47          1H6         A  47   1.331  32.585   3.443
  508   2H6     A  47          2H6         A  47   0.645  32.867   1.859
  509    H2     A  47           H2         A  47   5.783  32.285   2.896
  510   1H5*    U  48          1H5*        U  48   7.759  29.423  -3.491
  511   2H5*    U  48          2H5*        U  48   7.661  27.764  -4.116
  512    H4*    U  48           H4*        U  48   7.986  27.914  -1.633
  513    H3*    U  48           H3*        U  48   5.630  26.489  -2.839
  514    H2*    U  48           H2*        U  48   4.569  26.223  -0.801
  515   2HO*    U  48          2HO*        U  48   6.253  25.091   0.183
  516    H1*    U  48           H1*        U  48   5.724  28.393   0.611
  517    H3     U  48           H3         U  48   1.343  29.265   1.202
  518    H5     U  48           H5         U  48   1.908  29.761  -2.946
  519    H6     U  48           H6         U  48   4.179  28.954  -2.666
  520   1H5*    A  49          1H5*        A  49   9.419  23.104  -0.325
  521   2H5*    A  49          2H5*        A  49   7.775  22.554  -0.712
  522    H4*    A  49           H4*        A  49   9.022  22.776   2.046
  523    H3*    A  49           H3*        A  49   9.028  20.600   0.199
  524    H2*    A  49           H2*        A  49   6.904  19.782   0.626
  525   2HO*    A  49          2HO*        A  49   8.623  18.744   2.297
  526    H1*    A  49           H1*        A  49   6.772  20.989   3.370
  527    H8     A  49           H8         A  49   4.960  21.210  -0.085
  528   1H6     A  49          1H6         A  49  -0.204  20.371   3.198
  529   2H6     A  49          2H6         A  49   0.458  20.615   1.596
  530    H2     A  49           H2         A  49   3.266  20.373   6.054
  531   1H5*    U  50          1H5*        U  50  10.725  20.074   5.908
  532   2H5*    U  50          2H5*        U  50  10.578  18.347   5.524
  533    H4*    U  50           H4*        U  50   9.583  18.510   7.634
  534    H3*    U  50           H3*        U  50   7.876  17.797   5.597
  535    H2*    U  50           H2*        U  50   6.855  19.894   5.260
  536   2HO*    U  50          2HO*        U  50   4.885  19.564   5.948
  537    H1*    U  50           H1*        U  50   6.837  20.523   8.196
  538    H3     U  50           H3         U  50   8.600  24.901   6.860
  539    H5     U  50           H5         U  50   5.084  23.796   4.811
  540    H6     U  50           H6         U  50   5.382  21.538   5.651
  541   1H5*    G  51          1H5*        G  51   5.101  17.989   7.221
  542   2H5*    G  51          2H5*        G  51   4.621  17.533   8.868
  543    H4*    G  51           H4*        G  51   2.518  17.161   8.207
  544    H3*    G  51           H3*        G  51   3.817  15.265   6.279
  545    H2*    G  51           H2*        G  51   2.059  15.364   4.756
  546   2HO*    G  51          2HO*        G  51   0.431  14.884   6.293
  547    H1*    G  51           H1*        G  51   1.225  17.976   5.135
  548    H8     G  51           H8         G  51   4.970  17.965   4.868
  549    H1     G  51           H1         G  51   2.094  17.428  -0.816
  550   1H2     G  51          1H2         G  51  -0.067  17.048  -0.545
  551   2H2     G  51          2H2         G  51  -0.809  16.930   1.034
  552   1H5*    G  52          1H5*        G  52   2.841  11.054   5.901
  553   2H5*    G  52          2H5*        G  52   3.924  11.756   4.682
  554    H4*    G  52           H4*        G  52   0.923  11.596   4.711
  555    H3*    G  52           H3*        G  52   3.125  10.780   2.861
  556    H2*    G  52           H2*        G  52   2.058  11.554   0.931
  557   2HO*    G  52          2HO*        G  52  -0.239  12.095   1.004
  558    H1*    G  52           H1*        G  52   0.860  13.805   1.881
  559    H8     G  52           H8         G  52   4.012  14.176   3.664
  560    H1     G  52           H1         G  52   4.911  14.846  -2.642
  561   1H2     G  52          1H2         G  52   3.128  14.105  -3.743
  562   2H2     G  52          2H2         G  52   1.727  13.446  -2.928
  563   1H5*    A  53          1H5*        A  53   0.253   8.168   1.137
  564   2H5*    A  53          2H5*        A  53   0.960   6.543   1.032
  565    H4*    A  53           H4*        A  53   0.431   7.596  -1.188
  566    H3*    A  53           H3*        A  53   3.240   6.725  -0.513
  567    H2*    A  53           H2*        A  53   4.073   7.638  -2.477
  568   2HO*    A  53          2HO*        A  53   2.992   7.598  -4.357
  569    H1*    A  53           H1*        A  53   2.087   9.629  -2.892
  570    H8     A  53           H8         A  53   3.705  10.190   0.432
  571   1H6     A  53          1H6         A  53   8.315  13.019  -2.566
  572   2H6     A  53          2H6         A  53   7.603  12.697  -1.000
  573    H2     A  53           H2         A  53   5.743  10.949  -5.614
  574   1H5*    A  54          1H5*        A  54   2.100   5.981  -4.603
  575   2H5*    A  54          2H5*        A  54   2.061   4.216  -4.782
  576    H4*    A  54           H4*        A  54   2.942   5.029  -6.819
  577    H3*    A  54           H3*        A  54   5.138   4.027  -5.002
  578    H2*    A  54           H2*        A  54   6.765   4.669  -6.586
  579   2HO*    A  54          2HO*        A  54   4.637   4.395  -8.349
  580    H1*    A  54           H1*        A  54   5.639   7.046  -7.350
  581    H8     A  54           H8         A  54   5.349   6.250  -3.594
  582   1H6     A  54          1H6         A  54  10.700   9.285  -2.989
  583   2H6     A  54          2H6         A  54   9.391   8.498  -2.137
  584    H2     A  54           H2         A  54   9.809   8.908  -7.376
  585   1H5*    G  55          1H5*        G  55   5.801   2.095  -8.756
  586   2H5*    G  55          2H5*        G  55   6.530   0.489  -8.553
  587    H4*    G  55           H4*        G  55   7.940   2.143  -9.827
  588    H3*    G  55           H3*        G  55   9.005   0.885  -7.287
  589    H2*    G  55           H2*        G  55  11.002   2.096  -7.544
  590   2HO*    G  55          2HO*        G  55  10.307   1.958 -10.242
  591    H1*    G  55           H1*        G  55   9.890   4.380  -8.727
  592    H8     G  55           H8         G  55   8.088   3.309  -5.543
  593    H1     G  55           H1         G  55  13.386   6.736  -4.500
  594   1H2     G  55          1H2         G  55  14.513   6.989  -6.397
  595   2H2     G  55          2H2         G  55  13.962   6.309  -7.911
  596   1H5*    A  56          1H5*        A  56  11.899   0.412  -9.686
  597   2H5*    A  56          2H5*        A  56  12.461  -1.234 -10.038
  598    H4*    A  56           H4*        A  56  14.418  -0.155  -9.377
  599    H3*    A  56           H3*        A  56  13.215  -1.543  -6.979
  600    H2*    A  56           H2*        A  56  14.781  -0.578  -5.566
  601   2HO*    A  56          2HO*        A  56  16.674   0.387  -7.210
  602    H1*    A  56           H1*        A  56  15.349   1.744  -7.106
  603    H8     A  56           H8         A  56  11.775   0.942  -5.862
  604   1H6     A  56          1H6         A  56  13.144   4.671  -1.126
  605   2H6     A  56          2H6         A  56  11.888   3.724  -1.893
  606    H2     A  56           H2         A  56  16.850   4.172  -3.617
  607   1H5*    A  57          1H5*        A  57  17.603  -2.030  -7.944
  608   2H5*    A  57          2H5*        A  57  18.043  -3.741  -7.762
  609    H4*    A  57           H4*        A  57  19.867  -2.448  -6.914
  610    H3*    A  57           H3*        A  57  18.186  -3.741  -4.773
  611    H2*    A  57           H2*        A  57  19.421  -2.693  -3.068
  612   2HO*    A  57          2HO*        A  57  21.426  -2.965  -4.798
  613    H1*    A  57           H1*        A  57  19.757  -0.243  -4.241
  614    H8     A  57           H8         A  57  16.332  -1.916  -4.817
  615   1H6     A  57          1H6         A  57  14.485   1.128   0.233
  616   2H6     A  57          2H6         A  57  13.982   0.108  -1.097
  617    H2     A  57           H2         A  57  18.906   1.790  -0.244
  618   1H5*    C  58          1H5*        C  58  22.047  -4.427  -3.345
  619   2H5*    C  58          2H5*        C  58  22.231  -6.153  -2.976
  620    H4*    C  58           H4*        C  58  22.820  -4.887  -1.013
  621    H3*    C  58           H3*        C  58  20.126  -6.253  -0.781
  622    H2*    C  58           H2*        C  58  19.907  -5.381   1.389
  623   2HO*    C  58          2HO*        C  58  22.174  -4.239   2.025
  624    H1*    C  58           H1*        C  58  21.228  -2.952   0.933
  625   1H4     C  58          1H4         C  58  15.063  -1.384   1.031
  626   2H4     C  58          2H4         C  58  14.794  -2.206  -0.488
  627    H5     C  58           H5         C  58  16.505  -3.446  -1.640
  628    H6     C  58           H6         C  58  18.841  -4.184  -1.577
  629   1H5*    C  59          1H5*        C  59  22.010  -6.850   2.536
  630   2H5*    C  59          2H5*        C  59  21.824  -8.419   3.343
  631    H4*    C  59           H4*        C  59  20.982  -6.627   4.767
  632    H3*    C  59           H3*        C  59  18.867  -8.469   3.622
  633    H2*    C  59           H2*        C  59  17.218  -7.226   4.710
  634   2HO*    C  59          2HO*        C  59  18.435  -5.625   6.410
  635    H1*    C  59           H1*        C  59  18.601  -4.741   4.724
  636   1H4     C  59          1H4         C  59  13.690  -3.826   0.802
  637   2H4     C  59          2H4         C  59  14.353  -4.953  -0.362
  638    H5     C  59           H5         C  59  16.380  -6.208   0.019
  639    H6     C  59           H6         C  59  18.180  -6.682   1.616
  640   1H5*    G  60          1H5*        G  60  19.277  -8.624   8.432
  641   2H5*    G  60          2H5*        G  60  18.802 -10.296   8.792
  642    H4*    G  60           H4*        G  60  17.783  -8.697  10.364
  643    H3*    G  60           H3*        G  60  15.942 -10.220   8.516
  644    H2*    G  60           H2*        G  60  14.079  -9.093   9.394
  645   2HO*    G  60          2HO*        G  60  15.773  -8.680  11.609
  646    H1*    G  60           H1*        G  60  15.257  -6.615   9.782
  647    H8     G  60           H8         G  60  16.218  -8.092   6.425
  648    H1     G  60           H1         G  60  10.516  -5.190   6.386
  649   1H2     G  60          1H2         G  60   9.907  -4.682   8.468
  650   2H2     G  60          2H2         G  60  10.900  -5.063   9.857
  651   1H5*    G  61          1H5*        G  61  13.965  -9.762  11.822
  652   2H5*    G  61          2H5*        G  61  13.877 -11.285  12.728
  653    H4*    G  61           H4*        G  61  11.724 -10.401  12.953
  654    H3*    G  61           H3*        G  61  11.775 -12.379  10.675
  655    H2*    G  61           H2*        G  61   9.580 -11.857  10.086
  656   2HO*    G  61          2HO*        G  61   9.170 -10.597  12.601
  657    H1*    G  61           H1*        G  61   9.552  -9.167  10.879
  658    H8     G  61           H8         G  61  12.445 -10.333   8.631
  659    H1     G  61           H1         G  61   7.291  -8.273   5.455
  660   1H2     G  61          1H2         G  61   5.625  -7.879   6.874
  661   2H2     G  61          2H2         G  61   5.784  -8.126   8.599
  662   1H5*    G  62          1H5*        G  62   8.007 -12.454  12.851
  663   2H5*    G  62          2H5*        G  62   7.685 -14.152  13.254
  664    H4*    G  62           H4*        G  62   5.723 -13.020  12.245
  665    H3*    G  62           H3*        G  62   6.981 -15.348  10.794
  666    H2*    G  62           H2*        G  62   5.551 -15.076   8.976
  667   2HO*    G  62          2HO*        G  62   3.512 -14.221   9.146
  668    H1*    G  62           H1*        G  62   5.138 -12.296   9.173
  669    H8     G  62           H8         G  62   8.751 -13.620   9.083
  670    H1     G  62           H1         G  62   6.272 -12.228   3.348
  671   1H2     G  62          1H2         G  62   4.116 -11.750   3.547
  672   2H2     G  62          2H2         G  62   3.288 -11.771   5.089
  673   1H5*    G  63          1H5*        G  63   4.544 -19.068  10.119
  674   2H5*    G  63          2H5*        G  63   6.000 -18.819   9.134
  675    H4*    G  63           H4*        G  63   3.136 -18.326   8.487
  676    H3*    G  63           H3*        G  63   5.548 -19.416   7.083
  677    H2*    G  63           H2*        G  63   5.013 -18.439   5.026
  678   2HO*    G  63          2HO*        G  63   2.514 -18.915   5.838
  679    H1*    G  63           H1*        G  63   4.026 -16.044   5.864
  680    H8     G  63           H8         G  63   6.843 -16.683   8.229
  681    H1     G  63           H1         G  63   8.925 -15.033   2.408
  682   1H2     G  63          1H2         G  63   7.253 -15.068   0.967
  683   2H2     G  63          2H2         G  63   5.623 -15.503   1.429
  684   1H5*    A  64          1H5*        A  64   6.532 -22.853   6.439
  685   2H5*    A  64          2H5*        A  64   7.085 -21.253   5.904
  686    H4*    A  64           H4*        A  64   7.728 -23.393   4.532
  687    H3*    A  64           H3*        A  64   6.976 -20.683   3.542
  688    H2*    A  64           H2*        A  64   6.558 -21.350   1.345
  689   2HO*    A  64          2HO*        A  64   8.232 -22.464   0.647
  690    H1*    A  64           H1*        A  64   5.506 -23.840   1.738
  691    H8     A  64           H8         A  64   4.240 -21.414   4.392
  692   1H6     A  64          1H6         A  64  -0.274 -20.002   0.429
  693   2H6     A  64          2H6         A  64   0.320 -19.809   2.064
  694    H2     A  64           H2         A  64   2.698 -22.583  -1.736
  695   1H5*    A  65          1H5*        A  65   9.972 -18.723   0.746
  696   2H5*    A  65          2H5*        A  65   8.629 -17.638   1.153
  697    H4*    A  65           H4*        A  65   8.951 -19.467  -1.108
  698    H3*    A  65           H3*        A  65   7.331 -17.022  -0.476
  699    H2*    A  65           H2*        A  65   5.525 -17.665  -1.811
  700   2HO*    A  65          2HO*        A  65   6.682 -18.142  -3.686
  701    H1*    A  65           H1*        A  65   5.535 -20.367  -1.393
  702    H8     A  65           H8         A  65   6.176 -19.308   2.041
  703   1H6     A  65          1H6         A  65   0.290 -17.498   2.490
  704   2H6     A  65          2H6         A  65   1.754 -17.859   3.377
  705    H2     A  65           H2         A  65   1.212 -18.140  -1.861
  706   1H5*    A  66          1H5*        A  66   7.478 -14.965  -5.331
  707   2H5*    A  66          2H5*        A  66   7.182 -13.740  -4.082
  708    H4*    A  66           H4*        A  66   5.367 -14.692  -6.006
  709    H3*    A  66           H3*        A  66   5.221 -12.842  -3.661
  710    H2*    A  66           H2*        A  66   2.916 -13.112  -3.338
  711   2HO*    A  66          2HO*        A  66   1.584 -13.353  -4.965
  712    H1*    A  66           H1*        A  66   2.641 -15.755  -3.871
  713    H8     A  66           H8         A  66   5.968 -15.171  -2.120
  714   1H6     A  66          1H6         A  66   2.852 -15.675   3.191
  715   2H6     A  66          2H6         A  66   4.445 -15.604   2.463
  716    H2     A  66           H2         A  66  -0.146 -15.494  -0.173
  717   1H5*    C  67          1H5*        C  67   2.608 -11.254  -4.770
  718   2H5*    C  67          2H5*        C  67   2.620  -9.490  -4.962
  719    H4*    C  67           H4*        C  67   1.234 -10.165  -3.052
  720    H3*    C  67           H3*        C  67   3.765  -8.632  -2.446
  721    H2*    C  67           H2*        C  67   3.362  -8.798  -0.150
  722   2HO*    C  67          2HO*        C  67   0.726  -9.724  -0.416
  723    H1*    C  67           H1*        C  67   2.083 -11.294  -0.146
  724   1H4     C  67          1H4         C  67   7.887 -12.483   2.162
  725   2H4     C  67          2H4         C  67   8.601 -12.235   0.585
  726    H5     C  67           H5         C  67   7.337 -11.527  -1.340
  727    H6     C  67           H6         C  67   5.116 -10.912  -2.172
  728   1H5*    U  68          1H5*        U  68   1.161  -7.370  -0.096
  729   2H5*    U  68          2H5*        U  68   0.722  -5.651  -0.103
  730    H4*    U  68           H4*        U  68   1.142  -6.213   2.165
  731    H3*    U  68           H3*        U  68   3.490  -4.758   0.931
  732    H2*    U  68           H2*        U  68   4.672  -4.950   2.950
  733   2HO*    U  68          2HO*        U  68   2.634  -5.904   4.548
  734    H1*    U  68           H1*        U  68   3.633  -7.427   3.755
  735    H3     U  68           H3         U  68   8.022  -8.397   3.388
  736    H5     U  68           H5         U  68   6.810  -7.740  -0.596
  737    H6     U  68           H6         U  68   4.639  -7.061   0.245
  738   1H5*    U  69          1H5*        U  69   2.519  -3.601   4.388
  739   2H5*    U  69          2H5*        U  69   2.184  -1.930   4.885
  740    H4*    U  69           H4*        U  69   3.653  -2.771   6.528
  741    H3*    U  69           H3*        U  69   5.212  -1.164   4.487
  742    H2*    U  69           H2*        U  69   7.178  -1.638   5.663
  743   2HO*    U  69          2HO*        U  69   5.716  -2.547   7.915
  744    H1*    U  69           H1*        U  69   6.433  -4.183   6.608
  745    H3     U  69           H3         U  69  10.102  -5.254   4.222
  746    H5     U  69           H5         U  69   7.439  -3.780   1.310
  747    H6     U  69           H6         U  69   5.907  -3.197   3.098
  748   1H5*    G  70          1H5*        G  70   6.272  -0.427   8.011
  749   2H5*    G  70          2H5*        G  70   6.683   1.190   8.612
  750    H4*    G  70           H4*        G  70   8.595  -0.209   8.952
  751    H3*    G  70           H3*        G  70   8.950   1.636   6.571
  752    H2*    G  70           H2*        G  70  11.056   0.705   6.211
  753   2HO*    G  70          2HO*        G  70  11.050   0.598   8.949
  754    H1*    G  70           H1*        G  70  10.500  -1.841   7.372
  755    H8     G  70           H8         G  70   8.487  -0.527   4.338
  756    H1     G  70           H1         G  70  13.597  -4.116   2.923
  757   1H2     G  70          1H2         G  70  14.733  -4.569   4.776
  758   2H2     G  70          2H2         G  70  14.230  -3.987   6.348
  759   1H5*    G  71          1H5*        G  71  12.152   1.712   9.836
  760   2H5*    G  71          2H5*        G  71  12.104   3.409  10.353
  761    H4*    G  71           H4*        G  71  14.352   3.034  10.558
  762    H3*    G  71           H3*        G  71  13.891   3.923   7.722
  763    H2*    G  71           H2*        G  71  16.085   3.386   7.079
  764   2HO*    G  71          2HO*        G  71  17.500   2.663   9.058
  765    H1*    G  71           H1*        G  71  16.405   1.067   8.479
  766    H8     G  71           H8         G  71  12.867   1.530   7.080
  767    H1     G  71           H1         G  71  16.976  -1.116   2.945
  768   1H2     G  71          1H2         G  71  19.026  -1.119   3.811
  769   2H2     G  71          2H2         G  71  19.381  -0.443   5.385
  770   1H5*    U  72          1H5*        U  72  17.701   5.441   8.457
  771   2H5*    U  72          2H5*        U  72  17.643   7.186   8.137
  772    H4*    U  72           H4*        U  72  19.453   6.115   6.873
  773    H3*    U  72           H3*        U  72  17.141   7.224   5.271
  774    H2*    U  72           H2*        U  72  18.108   6.453   3.293
  775   2HO*    U  72          2HO*        U  72  20.550   5.689   3.800
  776    H1*    U  72           H1*        U  72  19.450   4.210   4.356
  777    H3     U  72           H3         U  72  16.821   2.376   1.163
  778    H5     U  72           H5         U  72  14.104   3.593   4.149
  779    H6     U  72           H6         U  72  15.953   4.662   5.303
  780   1H5*    U  73          1H5*        U  73  21.004   8.592   3.443
  781   2H5*    U  73          2H5*        U  73  20.732  10.294   3.025
  782    H4*    U  73           H4*        U  73  21.618   9.004   1.118
  783    H3*    U  73           H3*        U  73  18.798  10.084   0.853
  784    H2*    U  73           H2*        U  73  18.695   9.189  -1.321
  785   2HO*    U  73          2HO*        U  73  21.319   9.747  -1.308
  786    H1*    U  73           H1*        U  73  20.120   6.860  -0.811
  787    H3     U  73           H3         U  73  16.012   5.272  -1.748
  788    H5     U  73           H5         U  73  15.497   7.214   1.956
  789    H6     U  73           H6         U  73  17.787   8.000   1.784
  790   1H5*    C  74          1H5*        C  74  20.936  11.090  -2.799
  791   2H5*    C  74          2H5*        C  74  20.270  12.621  -3.402
  792    H4*    C  74           H4*        C  74  20.073  10.674  -4.989
  793    H3*    C  74           H3*        C  74  17.541  12.069  -4.062
  794    H2*    C  74           H2*        C  74  16.334  10.650  -5.505
  795   2HO*    C  74          2HO*        C  74  17.369  10.780  -7.409
  796    H1*    C  74           H1*        C  74  17.958   8.388  -5.170
  797   1H4     C  74          1H4         C  74  12.795   7.097  -1.714
  798   2H4     C  74          2H4         C  74  13.251   8.288  -0.515
  799    H5     C  74           H5         C  74  15.176   9.723  -0.744
  800    H6     C  74           H6         C  74  17.062  10.339  -2.185
  801   1H5*    U  75          1H5*        U  75  17.953  12.841  -8.125
  802   2H5*    U  75          2H5*        U  75  17.136  14.227  -8.874
  803    H4*    U  75           H4*        U  75  16.110  12.037  -9.470
  804    H3*    U  75           H3*        U  75  14.414  14.000  -7.900
  805    H2*    U  75           H2*        U  75  12.648  12.473  -7.975
  806   2HO*    U  75          2HO*        U  75  13.189  12.239 -10.407
  807    H1*    U  75           H1*        U  75  14.246  10.122  -8.089
  808    H3     U  75           H3         U  75  11.522   9.317  -4.584
  809    H5     U  75           H5         U  75  14.073  12.373  -3.207
  810    H6     U  75           H6         U  75  14.985  12.530  -5.451
  811   1H5*    U  76          1H5*        U  76  12.499  13.358 -11.692
  812   2H5*    U  76          2H5*        U  76  11.754  14.812 -12.387
  813    H4*    U  76           H4*        U  76  10.145  12.946 -12.166
  814    H3*    U  76           H3*        U  76   9.663  15.446 -10.544
  815    H2*    U  76           H2*        U  76   7.846  14.468  -9.473
  816   2HO*    U  76          2HO*        U  76   6.530  12.970 -10.441
  817    H1*    U  76           H1*        U  76   8.640  11.747  -9.721
  818    H3     U  76           H3         U  76   7.827  12.134  -5.290
  819    H5     U  76           H5         U  76  11.325  14.407  -5.891
  820    H6     U  76           H6         U  76  11.057  14.065  -8.279
  821   1H5*    C  77          1H5*        C  77   5.616  17.566 -10.916
  822   2H5*    C  77          2H5*        C  77   6.817  16.619 -10.013
  823    H4*    C  77           H4*        C  77   4.352  15.191 -10.898
  824    H3*    C  77           H3*        C  77   4.310  17.424  -8.877
  825    H2*    C  77           H2*        C  77   3.190  16.114  -7.309
  826   2HO*    C  77          2HO*        C  77   2.478  13.952  -8.814
  827    H1*    C  77           H1*        C  77   4.219  13.610  -7.996
  828   1H4     C  77          1H4         C  77   7.044  15.457  -2.564
  829   2H4     C  77          2H4         C  77   8.348  16.137  -3.509
  830    H5     C  77           H5         C  77   8.307  16.269  -5.913
  831    H6     C  77           H6         C  77   7.005  15.779  -7.932
  832   1H5*    C  78          1H5*        C  78  -0.426  16.009  -9.139
  833   2H5*    C  78          2H5*        C  78  -0.970  17.697  -9.077
  834    H4*    C  78           H4*        C  78  -1.837  15.970  -7.301
  835    H3*    C  78           H3*        C  78  -1.004  18.819  -6.848
  836    H2*    C  78           H2*        C  78  -0.958  18.599  -4.546
  837   2HO*    C  78          2HO*        C  78  -2.366  17.305  -3.431
  838    H1*    C  78           H1*        C  78  -0.547  15.801  -4.344
  839   1H4     C  78          1H4         C  78   4.821  18.350  -2.083
  840   2H4     C  78          2H4         C  78   5.358  18.691  -3.712
  841    H5     C  78           H5         C  78   3.984  18.338  -5.658
  842    H6     C  78           H6         C  78   1.801  17.571  -6.464
  843   1H5*    U  79          1H5*        U  79  -4.753  21.878  -5.440
  844   2H5*    U  79          2H5*        U  79  -3.028  21.472  -5.338
  845    H4*    U  79           H4*        U  79  -5.056  20.533  -3.292
  846    H3*    U  79           H3*        U  79  -3.625  23.166  -3.456
  847    H2*    U  79           H2*        U  79  -2.767  23.005  -1.317
  848   2HO*    U  79          2HO*        U  79  -5.053  21.405  -0.766
  849    H1*    U  79           H1*        U  79  -2.860  20.182  -0.984
  850    H3     U  79           H3         U  79   1.387  21.316   0.175
  851    H5     U  79           H5         U  79   1.297  21.656  -4.027
  852    H6     U  79           H6         U  79  -1.102  21.304  -3.939
  853   1H5*    A  80          1H5*        A  80  -6.309  25.910  -0.295
  854   2H5*    A  80          2H5*        A  80  -4.912  26.872  -0.820
  855    H4*    A  80           H4*        A  80  -5.289  25.215   1.610
  856    H3*    A  80           H3*        A  80  -4.667  27.869   1.200
  857    H2*    A  80           H2*        A  80  -2.480  27.673   0.406
  858   2HO*    A  80          2HO*        A  80  -2.453  28.417   2.737
  859    H1*    A  80           H1*        A  80  -1.779  25.262   2.012
  860    H8     A  80           H8         A  80  -2.496  25.908  -1.765
  861   1H6     A  80          1H6         A  80   3.405  24.294  -2.610
  862   2H6     A  80          2H6         A  80   1.916  24.771  -3.397
  863    H2     A  80           H2         A  80   2.571  24.227   1.808
  864   1H5*    A  81          1H5*        A  81  -5.677  26.060   5.498
  865   2H5*    A  81          2H5*        A  81  -6.402  27.532   6.179
  866    H4*    A  81           H4*        A  81  -5.850  26.532   8.145
  867    H3*    A  81           H3*        A  81  -3.492  28.110   7.271
  868    H2*    A  81           H2*        A  81  -1.900  26.963   8.512
  869   2HO*    A  81          2HO*        A  81  -3.622  27.146  10.387
  870    H1*    A  81           H1*        A  81  -2.932  24.424   8.572
  871    H8     A  81           H8         A  81  -3.435  25.601   5.049
  872   1H6     A  81          1H6         A  81   2.474  24.146   3.990
  873   2H6     A  81          2H6         A  81   0.952  24.601   3.258
  874    H2     A  81           H2         A  81   1.779  23.961   8.426
  875   1H5*    G  82          1H5*        G  82  -2.345  29.090  11.537
  876   2H5*    G  82          2H5*        G  82  -1.529  30.588  11.045
  877    H4*    G  82           H4*        G  82  -0.254  28.258  11.695
  878    H3*    G  82           H3*        G  82   0.570  30.628  10.042
  879    H2*    G  82           H2*        G  82   2.369  29.508   9.084
  880   2HO*    G  82          2HO*        G  82   2.831  28.720  11.447
  881    H1*    G  82           H1*        G  82   1.368  26.904   9.084
  882    H8     G  82           H8         G  82  -1.324  28.961   7.571
  883    H1     G  82           H1         G  82   3.592  28.121   3.556
  884   1H2     G  82          1H2         G  82   5.338  27.305   4.654
  885   2H2     G  82          2H2         G  82   5.294  26.970   6.370
  886   1H5*    U  83          1H5*        U  83   4.459  29.896  11.848
  887   2H5*    U  83          2H5*        U  83   4.782  31.419  12.699
  888    H4*    U  83           H4*        U  83   6.645  30.900  11.235
  889    H3*    U  83           H3*        U  83   4.934  33.251  10.455
  890    H2*    U  83           H2*        U  83   6.079  33.543   8.434
  891   2HO*    U  83          2HO*        U  83   8.141  32.063   8.294
  892    H1*    U  83           H1*        U  83   6.601  30.899   7.826
  893    H3     U  83           H3         U  83   3.703  32.098   4.569
  894    H5     U  83           H5         U  83   1.301  31.835   8.023
  895    H6     U  83           H6         U  83   3.321  31.483   9.320
  896   1H5*    C  84          1H5*        C  84   8.690  34.397   9.952
  897   2H5*    C  84          2H5*        C  84   9.216  35.956  10.618
  898    H4*    C  84           H4*        C  84   9.680  35.946   8.254
  899    H3*    C  84           H3*        C  84   7.336  37.681   9.050
  900    H2*    C  84           H2*        C  84   6.930  38.209   6.815
  901   2HO*    C  84          2HO*        C  84   8.706  37.705   5.225
  902    H1*    C  84           H1*        C  84   7.903  35.817   5.667
  903   1H4     C  84          1H4         C  84   1.609  35.521   4.850
  904   2H4     C  84          2H4         C  84   1.359  35.317   6.570
  905    H5     C  84           H5         C  84   3.147  35.379   8.182
  906    H6     C  84           H6         C  84   5.561  35.669   8.497
  907   1H5*    C  85          1H5*        C  85   9.880  39.175   6.533
  908   2H5*    C  85          2H5*        C  85  10.696  40.740   6.728
  909    H4*    C  85           H4*        C  85   9.981  40.592   4.451
  910    H3*    C  85           H3*        C  85   8.234  42.410   6.120
  911    H2*    C  85           H2*        C  85   6.866  42.822   4.264
  912   2HO*    C  85          2HO*        C  85   8.277  41.616   2.270
  913    H1*    C  85           H1*        C  85   7.063  40.305   3.071
  914   1H4     C  85          1H4         C  85   1.336  40.342   5.845
  915   2H4     C  85          2H4         C  85   2.070  40.201   7.426
  916    H5     C  85           H5         C  85   4.448  40.215   7.784
  917    H6     C  85           H6         C  85   6.643  40.385   6.708
  918   1H5*    U  86          1H5*        U  86   8.548  43.897   2.561
  919   2H5*    U  86          2H5*        U  86   9.121  45.574   2.477
  920    H4*    U  86           H4*        U  86   7.100  45.356   1.163
  921    H3*    U  86           H3*        U  86   6.902  46.943   3.698
  922    H2*    U  86           H2*        U  86   4.625  46.829   3.758
  923   2HO*    U  86          2HO*        U  86   3.422  47.479   2.041
  924    H1*    U  86           H1*        U  86   4.363  44.974   1.471
  925    H3     U  86           H3         U  86   0.623  43.757   3.623
  926    H5     U  86           H5         U  86   3.651  43.085   6.483
  927    H6     U  86           H6         U  86   5.229  44.095   4.938
  928    H3T    U  86           H3T        U  86   6.126  48.274   1.599
  929   1HN1  NCO 101          1HN1      NCO 101 -11.411  12.119   3.674
  930   2HN1  NCO 101          2HN1      NCO 101 -12.791  11.853   2.834
  931   3HN1  NCO 101          3HN1      NCO 101 -12.843  12.653   4.262
  932   1HN2  NCO 101          1HN2      NCO 101 -15.084   9.752   4.596
  933   2HN2  NCO 101          2HN2      NCO 101 -14.794  10.881   5.746
  934   3HN2  NCO 101          3HN2      NCO 101 -14.803  11.306   4.164
  935   1HN3  NCO 101          1HN3      NCO 101 -12.373  12.121   6.263
  936   2HN3  NCO 101          2HN3      NCO 101 -13.077  10.876   7.060
  937   3HN3  NCO 101          3HN3      NCO 101 -11.462  10.869   6.793
  938   1HN4  NCO 101          1HN4      NCO 101 -10.564   8.873   4.421
  939   2HN4  NCO 101          2HN4      NCO 101 -10.326  10.380   3.823
  940   3HN4  NCO 101          3HN4      NCO 101 -10.272  10.122   5.439
  941   1HN5  NCO 101          1HN5      NCO 101 -12.750   9.960   2.236
  942   2HN5  NCO 101          2HN5      NCO 101 -12.275   8.539   2.895
  943   3HN5  NCO 101          3HN5      NCO 101 -13.854   8.967   2.924
  944   1HN6  NCO 101          1HN6      NCO 101 -12.633   7.743   5.084
  945   2HN6  NCO 101          2HN6      NCO 101 -12.368   8.510   6.507
  946   3HN6  NCO 101          3HN6      NCO 101 -13.886   8.410   5.901
  947   1HN1  NCO 102          1HN1      NCO 102 -11.771 -14.599  -3.748
  948   2HN1  NCO 102          2HN1      NCO 102 -11.532 -14.366  -2.146
  949   3HN1  NCO 102          3HN1      NCO 102 -12.287 -15.720  -2.672
  950   1HN2  NCO 102          1HN2      NCO 102 -10.768 -18.275  -3.045
  951   2HN2  NCO 102          2HN2      NCO 102 -10.102 -17.994  -1.576
  952   3HN2  NCO 102          3HN2      NCO 102 -11.576 -17.380  -1.935
  953   1HN3  NCO 102          1HN3      NCO 102  -8.893 -14.541  -1.192
  954   2HN3  NCO 102          2HN3      NCO 102 -10.263 -15.263  -0.661
  955   3HN3  NCO 102          3HN3      NCO 102  -8.860 -16.105  -0.711
  956   1HN4  NCO 102          1HN4      NCO 102  -9.069 -13.610  -3.001
  957   2HN4  NCO 102          2HN4      NCO 102  -9.483 -14.046  -4.525
  958   3HN4  NCO 102          3HN4      NCO 102  -8.039 -14.506  -3.906
  959   1HN5  NCO 102          1HN5      NCO 102 -10.689 -17.429  -4.816
  960   2HN5  NCO 102          2HN5      NCO 102 -10.901 -15.858  -5.234
  961   3HN5  NCO 102          3HN5      NCO 102  -9.425 -16.554  -5.383
  962   1HN6  NCO 102          1HN6      NCO 102  -7.351 -16.261  -2.939
  963   2HN6  NCO 102          2HN6      NCO 102  -8.069 -17.632  -2.402
  964   3HN6  NCO 102          3HN6      NCO 102  -7.990 -17.324  -4.009
  965   1HN1  NCO 103          1HN1      NCO 103  14.840 -11.894   2.204
  966   2HN1  NCO 103          2HN1      NCO 103  13.872 -12.190   3.491
  967   3HN1  NCO 103          3HN1      NCO 103  13.762 -13.125   2.152
  968   1HN2  NCO 103          1HN2      NCO 103  12.168 -11.862  -0.544
  969   2HN2  NCO 103          2HN2      NCO 103  11.274 -12.715   0.529
  970   3HN2  NCO 103          3HN2      NCO 103  12.875 -13.020   0.372
  971   1HN3  NCO 103          1HN3      NCO 103  14.650  -9.750   1.166
  972   2HN3  NCO 103          2HN3      NCO 103  13.519  -9.460   0.018
  973   3HN3  NCO 103          3HN3      NCO 103  14.345 -10.873   0.014
  974   1HN4  NCO 103          1HN4      NCO 103  13.962  -9.663   3.321
  975   2HN4  NCO 103          2HN4      NCO 103  12.485  -9.904   3.986
  976   3HN4  NCO 103          3HN4      NCO 103  12.690  -8.749   2.844
  977   1HN5  NCO 103          1HN5      NCO 103  10.353 -11.293   2.833
  978   2HN5  NCO 103          2HN5      NCO 103  11.081 -12.747   2.646
  979   3HN5  NCO 103          3HN5      NCO 103  11.535 -11.755   3.867
  980   1HN6  NCO 103          1HN6      NCO 103  11.646  -9.151   0.319
  981   2HN6  NCO 103          2HN6      NCO 103  10.507 -10.311   0.512
  982   3HN6  NCO 103          3HN6      NCO 103  10.785  -9.230   1.710
  983   1HN1  NCO 104          1HN1      NCO 104  10.954  17.555   2.590
  984   2HN1  NCO 104          2HN1      NCO 104   9.325  17.392   2.605
  985   3HN1  NCO 104          3HN1      NCO 104  10.275  16.167   3.133
  986   1HN2  NCO 104          1HN2      NCO 104  11.570  17.719  -0.797
  987   2HN2  NCO 104          2HN2      NCO 104  11.498  18.320   0.725
  988   3HN2  NCO 104          3HN2      NCO 104  12.543  17.111   0.370
  989   1HN3  NCO 104          1HN3      NCO 104   9.278  18.287  -0.226
  990   2HN3  NCO 104          2HN3      NCO 104   8.305  17.039  -0.647
  991   3HN3  NCO 104          3HN3      NCO 104   8.261  17.634   0.878
  992   1HN4  NCO 104          1HN4      NCO 104   9.269  14.168   1.726
  993   2HN4  NCO 104          2HN4      NCO 104   8.121  15.329   1.586
  994   3HN4  NCO 104          3HN4      NCO 104   8.529  14.417   0.287
  995   1HN5  NCO 104          1HN5      NCO 104  11.718  14.930   2.210
  996   2HN5  NCO 104          2HN5      NCO 104  11.407  13.983   0.910
  997   3HN5  NCO 104          3HN5      NCO 104  12.523  15.177   0.806
  998   1HN6  NCO 104          1HN6      NCO 104  11.201  15.700  -1.617
  999   2HN6  NCO 104          2HN6      NCO 104  10.228  14.461  -1.176
 1000   3HN6  NCO 104          3HN6      NCO 104   9.575  15.851  -1.740
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   5.071 -47.387  -4.767
    2   2H5*    G   1          2H5*        G   1   5.616 -45.719  -5.035
    3    H4*    G   1           H4*        G   1   4.826 -46.786  -7.117
    4    H3*    G   1           H3*        G   1   3.478 -44.343  -6.041
    5    H2*    G   1           H2*        G   1   1.647 -44.473  -7.493
    6   2HO*    G   1          2HO*        G   1   3.016 -46.415  -9.061
    7    H1*    G   1           H1*        G   1   1.271 -47.168  -7.578
    8    H8     G   1           H8         G   1   2.167 -46.726  -4.022
    9    H1     G   1           H1         G   1  -3.645 -44.346  -5.275
   10   1H2     G   1          1H2         G   1  -3.950 -44.206  -7.469
   11   2H2     G   1          2H2         G   1  -2.728 -44.695  -8.622
   12    H5T    G   1           H5T        G   1   4.356 -45.552  -3.302
   13   1H5*    G   2          1H5*        G   2   2.767 -43.881  -9.676
   14   2H5*    G   2          2H5*        G   2   3.403 -42.405 -10.429
   15    H4*    G   2           H4*        G   2   0.999 -42.575 -10.805
   16    H3*    G   2           H3*        G   2   1.918 -40.371  -8.958
   17    H2*    G   2           H2*        G   2  -0.278 -39.784  -8.470
   18   2HO*    G   2          2HO*        G   2  -1.989 -40.176  -9.920
   19    H1*    G   2           H1*        G   2  -1.494 -42.308  -8.948
   20    H8     G   2           H8         G   2   1.157 -42.675  -6.330
   21    H1     G   2           H1         G   2  -4.238 -40.085  -4.047
   22   1H2     G   2          1H2         G   2  -5.577 -39.532  -5.715
   23   2H2     G   2          2H2         G   2  -5.143 -39.782  -7.391
   24   1H5*    G   3          1H5*        G   3  -0.589 -38.873 -11.698
   25   2H5*    G   3          2H5*        G   3  -0.083 -37.518 -12.728
   26    H4*    G   3           H4*        G   3  -2.222 -36.929 -11.885
   27    H3*    G   3           H3*        G   3   0.024 -35.524 -10.449
   28    H2*    G   3           H2*        G   3  -1.444 -34.576  -8.902
   29   2HO*    G   3          2HO*        G   3  -3.877 -34.907  -9.584
   30    H1*    G   3           H1*        G   3  -3.337 -36.624  -8.782
   31    H8     G   3           H8         G   3   0.348 -37.675  -8.476
   32    H1     G   3           H1         G   3  -2.467 -36.164  -2.928
   33   1H2     G   3          1H2         G   3  -4.483 -35.327  -3.308
   34   2H2     G   3          2H2         G   3  -5.136 -35.137  -4.918
   35   1H5*    A   4          1H5*        A   4  -3.236 -33.471 -11.302
   36   2H5*    A   4          2H5*        A   4  -3.215 -31.965 -12.240
   37    H4*    A   4           H4*        A   4  -4.782 -31.648 -10.469
   38    H3*    A   4           H3*        A   4  -2.152 -30.248 -10.008
   39    H2*    A   4           H2*        A   4  -2.812 -29.557  -7.874
   40   2HO*    A   4          2HO*        A   4  -4.737 -28.736  -7.759
   41    H1*    A   4           H1*        A   4  -4.341 -31.760  -7.160
   42    H8     A   4           H8         A   4  -0.889 -32.385  -8.773
   43   1H6     A   4          1H6         A   4   1.235 -32.727  -2.988
   44   2H6     A   4          2H6         A   4   1.632 -32.918  -4.680
   45    H2     A   4           H2         A   4  -3.086 -31.493  -2.802
   46   1H5*    U   5          1H5*        U   5  -5.359 -27.300  -9.082
   47   2H5*    U   5          2H5*        U   5  -4.620 -25.689  -9.173
   48    H4*    U   5           H4*        U   5  -5.458 -26.678  -6.871
   49    H3*    U   5           H3*        U   5  -3.020 -25.016  -7.433
   50    H2*    U   5           H2*        U   5  -2.053 -25.429  -5.377
   51   2HO*    U   5          2HO*        U   5  -3.503 -24.730  -3.952
   52    H1*    U   5           H1*        U   5  -3.258 -27.907  -4.764
   53    H3     U   5           H3         U   5   1.150 -28.879  -4.441
   54    H5     U   5           H5         U   5   0.489 -28.402  -8.575
   55    H6     U   5           H6         U   5  -1.751 -27.631  -8.062
   56   1H5*    A   6          1H5*        A   6  -7.078 -24.478  -2.774
   57   2H5*    A   6          2H5*        A   6  -7.760 -23.208  -3.809
   58    H4*    A   6           H4*        A   6  -6.997 -22.766  -1.277
   59    H3*    A   6           H3*        A   6  -7.483 -21.045  -3.533
   60    H2*    A   6           H2*        A   6  -5.340 -20.173  -3.694
   61   2HO*    A   6          2HO*        A   6  -6.707 -18.896  -1.744
   62    H1*    A   6           H1*        A   6  -4.738 -20.838  -0.814
   63    H8     A   6           H8         A   6  -3.393 -20.670  -4.438
   64   1H6     A   6          1H6         A   6   2.205 -21.083  -1.862
   65   2H6     A   6          2H6         A   6   1.327 -20.823  -3.351
   66    H2     A   6           H2         A   6  -0.850 -21.658   1.377
   67   1H5*    U   7          1H5*        U   7  -7.667 -20.376   1.654
   68   2H5*    U   7          2H5*        U   7  -6.783 -21.027   0.258
   69    H4*    U   7           H4*        U   7  -7.618 -22.677   2.665
   70    H3*    U   7           H3*        U   7  -5.206 -20.988   2.260
   71    H2*    U   7           H2*        U   7  -3.725 -22.731   2.152
   72   2HO*    U   7          2HO*        U   7  -5.195 -23.840   4.326
   73    H1*    U   7           H1*        U   7  -5.705 -24.907   2.382
   74    H3     U   7           H3         U   7  -3.574 -27.487  -0.568
   75    H5     U   7           H5         U   7  -2.506 -23.605  -1.815
   76    H6     U   7           H6         U   7  -3.904 -22.720  -0.038
   77   1H5*    G   8          1H5*        G   8  -3.799 -18.663   5.111
   78   2H5*    G   8          2H5*        G   8  -4.258 -18.662   3.397
   79    H4*    G   8           H4*        G   8  -1.484 -18.942   4.581
   80    H3*    G   8           H3*        G   8  -2.914 -16.785   3.083
   81    H2*    G   8           H2*        G   8  -1.186 -16.439   1.553
   82   2HO*    G   8          2HO*        G   8   0.582 -16.147   2.747
   83    H1*    G   8           H1*        G   8  -0.217 -18.992   1.289
   84    H8     G   8           H8         G   8  -3.961 -19.270   1.306
   85    H1     G   8           H1         G   8  -1.681 -17.207  -4.305
   86   1H2     G   8          1H2         G   8   0.467 -16.720  -4.125
   87   2H2     G   8          2H2         G   8   1.349 -16.899  -2.626
   88   1H5*    G   9          1H5*        G   9  -2.851 -13.113   2.815
   89   2H5*    G   9          2H5*        G   9  -2.500 -14.772   2.291
   90    H4*    G   9           H4*        G   9  -0.172 -13.001   2.094
   91    H3*    G   9           H3*        G   9  -2.730 -12.126   0.799
   92    H2*    G   9           H2*        G   9  -1.797 -11.988  -1.337
   93   2HO*    G   9          2HO*        G   9   0.848 -12.348  -0.845
   94    H1*    G   9           H1*        G   9  -0.034 -14.090  -1.245
   95    H8     G   9           H8         G   9  -2.865 -15.748   0.319
   96    H1     G   9           H1         G   9  -4.213 -14.389  -5.787
   97   1H2     G   9          1H2         G   9  -2.725 -12.945  -6.587
   98   2H2     G   9          2H2         G   9  -1.413 -12.308  -5.621
   99   1H5*    A  10          1H5*        A  10  -0.370  -8.881  -0.011
  100   2H5*    A  10          2H5*        A  10  -0.975  -7.301   0.527
  101    H4*    A  10           H4*        A  10  -0.650  -7.310  -1.893
  102    H3*    A  10           H3*        A  10  -3.489  -7.147  -0.893
  103    H2*    A  10           H2*        A  10  -4.345  -7.329  -3.038
  104   2HO*    A  10          2HO*        A  10  -1.835  -6.397  -4.018
  105    H1*    A  10           H1*        A  10  -2.187  -8.726  -4.246
  106    H8     A  10           H8         A  10  -3.620 -10.584  -1.284
  107   1H6     A  10          1H6         A  10  -7.871 -12.844  -5.160
  108   2H6     A  10          2H6         A  10  -7.197 -12.945  -3.549
  109    H2     A  10           H2         A  10  -5.592  -9.634  -7.324
  110   1H5*    A  11          1H5*        A  11  -1.922  -4.097  -3.936
  111   2H5*    A  11          2H5*        A  11  -2.780  -2.551  -3.788
  112    H4*    A  11           H4*        A  11  -2.520  -3.391  -6.146
  113    H3*    A  11           H3*        A  11  -5.246  -2.832  -4.978
  114    H2*    A  11           H2*        A  11  -6.297  -3.573  -6.951
  115   2HO*    A  11          2HO*        A  11  -5.429  -3.264  -8.848
  116    H1*    A  11           H1*        A  11  -4.651  -5.698  -7.510
  117    H8     A  11           H8         A  11  -5.279  -5.491  -3.765
  118   1H6     A  11          1H6         A  11 -10.430  -8.740  -4.821
  119   2H6     A  11          2H6         A  11  -9.365  -8.092  -3.591
  120    H2     A  11           H2         A  11  -8.715  -7.532  -8.794
  121   1H5*    G  12          1H5*        G  12  -5.525  -0.146  -8.463
  122   2H5*    G  12          2H5*        G  12  -6.343   1.309  -7.859
  123    H4*    G  12           H4*        G  12  -7.573   0.081  -9.681
  124    H3*    G  12           H3*        G  12  -8.877   0.509  -6.984
  125    H2*    G  12           H2*        G  12 -10.799  -0.616  -7.742
  126   2HO*    G  12          2HO*        G  12 -11.148  -1.001  -9.991
  127    H1*    G  12           H1*        G  12  -9.521  -2.507  -9.329
  128    H8     G  12           H8         G  12  -7.755  -2.251  -5.995
  129    H1     G  12           H1         G  12 -13.118  -5.740  -5.758
  130   1H2     G  12          1H2         G  12 -14.256  -5.503  -7.654
  131   2H2     G  12          2H2         G  12 -13.696  -4.490  -8.964
  132   1H5*    A  13          1H5*        A  13 -11.698   1.199  -9.237
  133   2H5*    A  13          2H5*        A  13 -12.167   2.898  -9.441
  134    H4*    A  13           H4*        A  13 -14.245   1.991  -9.142
  135    H3*    A  13           H3*        A  13 -13.216   2.542  -6.357
  136    H2*    A  13           H2*        A  13 -15.063   1.457  -5.414
  137   2HO*    A  13          2HO*        A  13 -16.951   0.986  -6.743
  138    H1*    A  13           H1*        A  13 -15.424  -0.509  -7.351
  139    H8     A  13           H8         A  13 -11.863   0.144  -5.992
  140   1H6     A  13          1H6         A  13 -13.058  -4.466  -2.057
  141   2H6     A  13          2H6         A  13 -11.839  -3.359  -2.647
  142    H2     A  13           H2         A  13 -16.823  -3.592  -4.351
  143   1H5*    A  14          1H5*        A  14 -17.633   3.708  -6.932
  144   2H5*    A  14          2H5*        A  14 -17.769   5.273  -6.104
  145    H4*    A  14           H4*        A  14 -19.595   3.720  -5.488
  146    H3*    A  14           H3*        A  14 -17.659   4.592  -3.340
  147    H2*    A  14           H2*        A  14 -18.745   3.238  -1.761
  148   2HO*    A  14          2HO*        A  14 -20.910   2.645  -3.460
  149    H1*    A  14           H1*        A  14 -19.376   1.110  -3.415
  150    H8     A  14           H8         A  14 -15.838   2.617  -3.733
  151   1H6     A  14          1H6         A  14 -14.143  -1.646   0.399
  152   2H6     A  14          2H6         A  14 -13.587  -0.385  -0.677
  153    H2     A  14           H2         A  14 -18.616  -1.840  -0.033
  154   1H5*    C  15          1H5*        C  15 -21.729   5.407  -1.640
  155   2H5*    C  15          2H5*        C  15 -21.565   6.935  -0.753
  156    H4*    C  15           H4*        C  15 -22.452   5.100   0.658
  157    H3*    C  15           H3*        C  15 -19.763   6.283   1.384
  158    H2*    C  15           H2*        C  15 -19.584   4.793   3.179
  159   2HO*    C  15          2HO*        C  15 -21.442   3.699   4.020
  160    H1*    C  15           H1*        C  15 -20.966   2.635   2.028
  161   1H4     C  15          1H4         C  15 -14.870   0.862   1.809
  162   2H4     C  15          2H4         C  15 -14.521   2.074   0.599
  163    H5     C  15           H5         C  15 -16.153   3.656  -0.193
  164    H6     C  15           H6         C  15 -18.463   4.447   0.034
  165   1H5*    C  16          1H5*        C  16 -22.022   6.355   5.091
  166   2H5*    C  16          2H5*        C  16 -21.636   7.878   5.920
  167    H4*    C  16           H4*        C  16 -21.130   5.898   7.313
  168    H3*    C  16           H3*        C  16 -18.851   7.677   6.443
  169    H2*    C  16           H2*        C  16 -17.289   6.263   7.448
  170   2HO*    C  16          2HO*        C  16 -19.416   5.728   9.151
  171    H1*    C  16           H1*        C  16 -18.618   3.833   7.070
  172   1H4     C  16          1H4         C  16 -13.984   3.710   2.734
  173   2H4     C  16          2H4         C  16 -14.698   5.050   1.863
  174    H5     C  16           H5         C  16 -16.677   6.206   2.610
  175    H6     C  16           H6         C  16 -18.388   6.337   4.360
  176   1H5*    G  17          1H5*        G  17 -19.164   7.079  11.069
  177   2H5*    G  17          2H5*        G  17 -19.002   8.729  11.702
  178    H4*    G  17           H4*        G  17 -17.754   7.302  13.152
  179    H3*    G  17           H3*        G  17 -16.038   8.944  11.297
  180    H2*    G  17           H2*        G  17 -14.081   7.879  12.036
  181   2HO*    G  17          2HO*        G  17 -14.372   6.383  13.979
  182    H1*    G  17           H1*        G  17 -15.068   5.329  12.339
  183    H8     G  17           H8         G  17 -16.368   7.114   9.217
  184    H1     G  17           H1         G  17 -10.767   4.142   8.366
  185   1H2     G  17          1H2         G  17  -9.991   3.403  10.319
  186   2H2     G  17          2H2         G  17 -10.848   3.650  11.824
  187   1H5*    G  18          1H5*        G  18 -13.852   8.445  14.523
  188   2H5*    G  18          2H5*        G  18 -13.520   9.988  15.334
  189    H4*    G  18           H4*        G  18 -11.448   8.776  15.127
  190    H3*    G  18           H3*        G  18 -11.710  11.143  13.272
  191    H2*    G  18           H2*        G  18  -9.699  10.623  12.227
  192   2HO*    G  18          2HO*        G  18  -8.443   8.868  13.728
  193    H1*    G  18           H1*        G  18  -9.687   7.827  12.724
  194    H8     G  18           H8         G  18 -12.741   9.157  10.867
  195    H1     G  18           H1         G  18  -7.784   7.787   7.064
  196   1H2     G  18          1H2         G  18  -5.986   7.331   8.287
  197   2H2     G  18          2H2         G  18  -6.008   7.371  10.036
  198   1H5*    G  19          1H5*        G  19  -7.616  10.735  14.479
  199   2H5*    G  19          2H5*        G  19  -7.252  12.238  15.353
  200    H4*    G  19           H4*        G  19  -5.436  11.813  13.843
  201    H3*    G  19           H3*        G  19  -7.268  14.045  12.966
  202    H2*    G  19           H2*        G  19  -6.139  14.269  10.948
  203   2HO*    G  19          2HO*        G  19  -3.868  12.832  11.766
  204    H1*    G  19           H1*        G  19  -5.160  11.614  10.721
  205    H8     G  19           H8         G  19  -8.933  12.388  11.089
  206    H1     G  19           H1         G  19  -6.886  11.674   5.065
  207   1H2     G  19          1H2         G  19  -4.679  11.453   5.033
  208   2H2     G  19          2H2         G  19  -3.711  11.481   6.489
  209   1H5*    G  20          1H5*        G  20  -6.331  18.309  12.832
  210   2H5*    G  20          2H5*        G  20  -7.573  17.647  11.749
  211    H4*    G  20           H4*        G  20  -4.582  17.678  11.439
  212    H3*    G  20           H3*        G  20  -6.941  18.581   9.839
  213    H2*    G  20           H2*        G  20  -6.131  17.752   7.805
  214   2HO*    G  20          2HO*        G  20  -4.017  18.660   8.067
  215    H1*    G  20           H1*        G  20  -5.014  15.420   8.631
  216    H8     G  20           H8         G  20  -7.954  15.499  10.848
  217    H1     G  20           H1         G  20  -9.718  14.596   4.764
  218   1H2     G  20          1H2         G  20  -8.020  14.974   3.416
  219   2H2     G  20          2H2         G  20  -6.444  15.464   3.996
  220   1H5*    A  21          1H5*        A  21  -7.944  22.494   9.601
  221   2H5*    A  21          2H5*        A  21  -8.544  20.959   8.941
  222    H4*    A  21           H4*        A  21  -8.973  23.169   7.629
  223    H3*    A  21           H3*        A  21  -8.211  20.497   6.560
  224    H2*    A  21           H2*        A  21  -7.497  21.251   4.479
  225   2HO*    A  21          2HO*        A  21  -8.466  22.848   3.434
  226    H1*    A  21           H1*        A  21  -6.519  23.745   5.098
  227    H8     A  21           H8         A  21  -5.331  21.348   7.758
  228   1H6     A  21          1H6         A  21  -0.696  19.890   3.953
  229   2H6     A  21          2H6         A  21  -1.331  19.731   5.574
  230    H2     A  21           H2         A  21  -3.644  22.379   1.645
  231   1H5*    A  22          1H5*        A  22 -10.763  18.228   3.855
  232   2H5*    A  22          2H5*        A  22  -9.212  17.459   4.252
  233    H4*    A  22           H4*        A  22  -9.852  19.574   2.249
  234    H3*    A  22           H3*        A  22  -8.236  17.067   2.341
  235    H2*    A  22           H2*        A  22  -6.392  17.935   1.231
  236   2HO*    A  22          2HO*        A  22  -7.550  18.663  -0.580
  237    H1*    A  22           H1*        A  22  -6.484  20.584   1.998
  238    H8     A  22           H8         A  22  -6.829  19.341   5.316
  239   1H6     A  22          1H6         A  22  -1.064  17.141   5.193
  240   2H6     A  22          2H6         A  22  -2.420  17.568   6.212
  241    H2     A  22           H2         A  22  -2.304  18.002   0.957
  242   1H5*    A  23          1H5*        A  23  -8.810  15.712  -2.687
  243   2H5*    A  23          2H5*        A  23  -8.540  14.299  -1.646
  244    H4*    A  23           H4*        A  23  -6.793  15.307  -3.569
  245    H3*    A  23           H3*        A  23  -6.625  13.243  -1.426
  246    H2*    A  23           H2*        A  23  -4.309  13.365  -1.151
  247   2HO*    A  23          2HO*        A  23  -3.940  14.897  -3.495
  248    H1*    A  23           H1*        A  23  -3.864  16.018  -1.516
  249    H8     A  23           H8         A  23  -7.146  15.516   0.340
  250   1H6     A  23          1H6         A  23  -3.790  15.399   5.529
  251   2H6     A  23          2H6         A  23  -5.416  15.447   4.874
  252    H2     A  23           H2         A  23  -0.950  15.339   2.022
  253   1H5*    C  24          1H5*        C  24  -4.335  11.298  -3.554
  254   2H5*    C  24          2H5*        C  24  -4.588   9.543  -3.625
  255    H4*    C  24           H4*        C  24  -2.742  10.281  -2.081
  256    H3*    C  24           H3*        C  24  -5.071   8.647  -1.075
  257    H2*    C  24           H2*        C  24  -4.289   8.769   1.127
  258   2HO*    C  24          2HO*        C  24  -1.770   9.743   0.251
  259    H1*    C  24           H1*        C  24  -3.193  11.322   1.049
  260   1H4     C  24          1H4         C  24  -8.785  12.008   4.016
  261   2H4     C  24          2H4         C  24  -9.634  11.906   2.488
  262    H5     C  24           H5         C  24  -8.532  11.458   0.394
  263    H6     C  24           H6         C  24  -6.381  11.005  -0.690
  264   1H5*    U  25          1H5*        U  25  -2.167   7.406   0.970
  265   2H5*    U  25          2H5*        U  25  -1.747   5.691   0.785
  266    H4*    U  25           H4*        U  25  -1.931   6.106   3.126
  267    H3*    U  25           H3*        U  25  -4.330   4.657   1.998
  268    H2*    U  25           H2*        U  25  -5.397   4.723   4.077
  269   2HO*    U  25          2HO*        U  25  -2.810   5.138   5.192
  270    H1*    U  25           H1*        U  25  -4.300   7.136   5.016
  271    H3     U  25           H3         U  25  -8.709   8.077   5.094
  272    H5     U  25           H5         U  25  -7.820   7.791   0.983
  273    H6     U  25           H6         U  25  -5.586   7.060   1.584
  274   1H5*    U  26          1H5*        U  26  -3.210   3.405   5.399
  275   2H5*    U  26          2H5*        U  26  -2.489   1.796   5.605
  276    H4*    U  26           H4*        U  26  -3.779   1.889   7.503
  277    H3*    U  26           H3*        U  26  -5.586   0.793   5.341
  278    H2*    U  26           H2*        U  26  -7.400   0.830   6.820
  279   2HO*    U  26          2HO*        U  26  -5.477   0.290   8.639
  280    H1*    U  26           H1*        U  26  -6.720   3.128   8.231
  281    H3     U  26           H3         U  26 -10.459   4.650   6.252
  282    H5     U  26           H5         U  26  -7.954   3.736   2.990
  283    H6     U  26           H6         U  26  -6.335   2.851   4.566
  284   1H5*    G  27          1H5*        G  27  -6.195  -1.395   8.805
  285   2H5*    G  27          2H5*        G  27  -6.786  -3.043   8.512
  286    H4*    G  27           H4*        G  27  -8.403  -1.537   9.718
  287    H3*    G  27           H3*        G  27  -9.200  -2.766   7.066
  288    H2*    G  27           H2*        G  27 -11.265  -1.688   7.217
  289   2HO*    G  27          2HO*        G  27 -12.199  -1.110   9.174
  290    H1*    G  27           H1*        G  27 -10.387   0.526   8.769
  291    H8     G  27           H8         G  27  -8.692  -0.150   5.378
  292    H1     G  27           H1         G  27 -13.847   3.639   5.117
  293   1H2     G  27          1H2         G  27 -14.856   3.675   7.096
  294   2H2     G  27          2H2         G  27 -14.254   2.775   8.471
  295   1H5*    G  28          1H5*        G  28 -12.082  -4.572  10.245
  296   2H5*    G  28          2H5*        G  28 -12.166  -6.284   9.787
  297    H4*    G  28           H4*        G  28 -14.412  -5.467  10.087
  298    H3*    G  28           H3*        G  28 -13.620  -5.941   7.212
  299    H2*    G  28           H2*        G  28 -15.698  -5.143   6.461
  300   2HO*    G  28          2HO*        G  28 -17.075  -4.739   8.738
  301    H1*    G  28           H1*        G  28 -16.048  -3.118   8.304
  302    H8     G  28           H8         G  28 -12.499  -3.469   6.864
  303    H1     G  28           H1         G  28 -16.394   0.259   3.411
  304   1H2     G  28          1H2         G  28 -18.452   0.181   4.246
  305   2H2     G  28          2H2         G  28 -18.869  -0.805   5.628
  306   1H5*    U  29          1H5*        U  29 -17.500  -7.720   7.326
  307   2H5*    U  29          2H5*        U  29 -17.333  -9.336   6.613
  308    H4*    U  29           H4*        U  29 -19.075  -8.033   5.473
  309    H3*    U  29           H3*        U  29 -16.592  -8.675   3.868
  310    H2*    U  29           H2*        U  29 -17.446  -7.493   2.049
  311   2HO*    U  29          2HO*        U  29 -19.870  -8.344   3.109
  312    H1*    U  29           H1*        U  29 -18.998  -5.623   3.502
  313    H3     U  29           H3         U  29 -16.320  -2.971   1.001
  314    H5     U  29           H5         U  29 -13.683  -4.771   3.757
  315    H6     U  29           H6         U  29 -15.530  -6.145   4.524
  316   1H5*    U  30          1H5*        U  30 -20.370  -9.618   1.898
  317   2H5*    U  30          2H5*        U  30 -20.279 -11.156   1.016
  318    H4*    U  30           H4*        U  30 -21.272  -9.404  -0.379
  319    H3*    U  30           H3*        U  30 -18.533 -10.380  -1.227
  320    H2*    U  30           H2*        U  30 -18.604  -8.912  -3.064
  321   2HO*    U  30          2HO*        U  30 -20.710  -7.794  -3.496
  322    H1*    U  30           H1*        U  30 -19.904  -6.808  -1.792
  323    H3     U  30           H3         U  30 -15.855  -5.025  -2.654
  324    H5     U  30           H5         U  30 -15.073  -7.872   0.356
  325    H6     U  30           H6         U  30 -17.382  -8.600   0.171
  326   1H5*    C  31          1H5*        C  31 -20.625 -10.059  -4.714
  327   2H5*    C  31          2H5*        C  31 -20.338 -11.483  -5.731
  328    H4*    C  31           H4*        C  31 -19.719  -9.420  -6.904
  329    H3*    C  31           H3*        C  31 -17.433 -11.268  -6.173
  330    H2*    C  31           H2*        C  31 -15.924  -9.754  -7.096
  331   2HO*    C  31          2HO*        C  31 -17.243  -7.999  -8.505
  332    H1*    C  31           H1*        C  31 -17.475  -7.399  -6.694
  333   1H4     C  31          1H4         C  31 -12.431  -6.629  -2.922
  334   2H4     C  31          2H4         C  31 -12.953  -7.941  -1.887
  335    H5     C  31           H5         C  31 -14.900  -9.290  -2.344
  336    H6     C  31           H6         C  31 -16.747  -9.688  -3.907
  337   1H5*    U  32          1H5*        U  32 -17.217 -10.297 -10.645
  338   2H5*    U  32          2H5*        U  32 -16.873 -11.872 -11.389
  339    H4*    U  32           H4*        U  32 -15.344 -10.175 -12.249
  340    H3*    U  32           H3*        U  32 -14.149 -12.321 -10.497
  341    H2*    U  32           H2*        U  32 -12.043 -11.307 -10.584
  342   2HO*    U  32          2HO*        U  32 -11.522  -9.750 -12.206
  343    H1*    U  32           H1*        U  32 -12.852  -8.648 -10.666
  344    H3     U  32           H3         U  32 -10.731  -8.758  -6.696
  345    H5     U  32           H5         U  32 -14.103 -11.202  -6.073
  346    H6     U  32           H6         U  32 -14.639 -10.948  -8.426
  347   1H5*    U  33          1H5*        U  33 -11.930 -11.370 -14.144
  348   2H5*    U  33          2H5*        U  33 -11.132 -12.793 -14.841
  349    H4*    U  33           H4*        U  33  -9.627 -10.805 -14.495
  350    H3*    U  33           H3*        U  33  -9.022 -13.468 -13.217
  351    H2*    U  33           H2*        U  33  -7.226 -12.584 -12.036
  352   2HO*    U  33          2HO*        U  33  -6.039 -11.750 -13.693
  353    H1*    U  33           H1*        U  33  -8.118  -9.913 -11.823
  354    H3     U  33           H3         U  33  -7.513 -10.947  -7.473
  355    H5     U  33           H5         U  33 -10.692 -13.443  -8.656
  356    H6     U  33           H6         U  33 -10.369 -12.670 -10.933
  357   1H5*    C  34          1H5*        C  34  -3.972 -14.317 -14.720
  358   2H5*    C  34          2H5*        C  34  -5.072 -14.506 -13.339
  359    H4*    C  34           H4*        C  34  -3.416 -12.011 -13.817
  360    H3*    C  34           H3*        C  34  -2.652 -14.561 -12.420
  361    H2*    C  34           H2*        C  34  -1.915 -13.448 -10.511
  362   2HO*    C  34          2HO*        C  34  -1.460 -11.346 -12.321
  363    H1*    C  34           H1*        C  34  -3.636 -11.260 -10.544
  364   1H4     C  34          1H4         C  34  -5.710 -15.313  -6.042
  365   2H4     C  34          2H4         C  34  -6.825 -15.977  -7.214
  366    H5     C  34           H5         C  34  -6.827 -15.352  -9.539
  367    H6     C  34           H6         C  34  -5.740 -13.981 -11.252
  368   1H5*    C  35          1H5*        C  35   0.224 -17.049 -12.296
  369   2H5*    C  35          2H5*        C  35  -1.058 -15.954 -11.743
  370    H4*    C  35           H4*        C  35   1.659 -15.033 -11.076
  371    H3*    C  35           H3*        C  35   0.783 -17.767 -10.209
  372    H2*    C  35           H2*        C  35   1.102 -17.335  -7.948
  373   2HO*    C  35          2HO*        C  35   2.640 -15.016  -8.411
  374    H1*    C  35           H1*        C  35   0.587 -14.599  -7.882
  375   1H4     C  35          1H4         C  35  -4.500 -17.670  -5.461
  376   2H4     C  35          2H4         C  35  -5.295 -17.423  -6.998
  377    H5     C  35           H5         C  35  -4.181 -16.536  -8.932
  378    H6     C  35           H6         C  35  -2.065 -15.676  -9.817
  379   1H5*    U  36          1H5*        U  36   4.943 -20.839 -11.055
  380   2H5*    U  36          2H5*        U  36   3.334 -20.442 -10.420
  381    H4*    U  36           H4*        U  36   5.956 -19.648  -9.113
  382    H3*    U  36           H3*        U  36   4.251 -22.084  -8.760
  383    H2*    U  36           H2*        U  36   4.077 -21.852  -6.453
  384   2HO*    U  36          2HO*        U  36   5.668 -21.065  -5.217
  385    H1*    U  36           H1*        U  36   4.212 -19.090  -6.204
  386    H3     U  36           H3         U  36   0.174 -20.792  -4.683
  387    H5     U  36           H5         U  36  -0.363 -19.775  -8.737
  388    H6     U  36           H6         U  36   2.039 -19.473  -8.911
  389   1H5*    A  37          1H5*        A  37   8.190 -24.195  -5.796
  390   2H5*    A  37          2H5*        A  37   7.035 -25.493  -6.158
  391    H4*    A  37           H4*        A  37   7.452 -24.001  -3.689
  392    H3*    A  37           H3*        A  37   6.992 -26.637  -4.279
  393    H2*    A  37           H2*        A  37   4.726 -26.576  -4.842
  394   2HO*    A  37          2HO*        A  37   4.713 -27.732  -2.894
  395    H1*    A  37           H1*        A  37   3.948 -24.423  -2.947
  396    H8     A  37           H8         A  37   4.522 -24.315  -6.785
  397   1H6     A  37          1H6         A  37  -1.607 -23.665  -7.171
  398   2H6     A  37          2H6         A  37  -0.104 -23.698  -8.066
  399    H2     A  37           H2         A  37  -0.557 -24.310  -2.849
  400   1H5*    A  38          1H5*        A  38  10.013 -26.650   0.783
  401   2H5*    A  38          2H5*        A  38   8.990 -28.033   0.346
  402    H4*    A  38           H4*        A  38   8.846 -26.588   2.700
  403    H3*    A  38           H3*        A  38   6.986 -28.499   1.323
  404    H2*    A  38           H2*        A  38   5.131 -27.806   2.529
  405   2HO*    A  38          2HO*        A  38   5.644 -28.065   4.589
  406    H1*    A  38           H1*        A  38   5.890 -25.160   3.110
  407    H8     A  38           H8         A  38   6.182 -25.425  -0.561
  408   1H6     A  38          1H6         A  38   0.040 -24.882  -0.928
  409   2H6     A  38          2H6         A  38   1.542 -24.855  -1.825
  410    H2     A  38           H2         A  38   1.105 -25.654   3.369
  411   1H5*    G  39          1H5*        G  39   6.132 -31.164   5.039
  412   2H5*    G  39          2H5*        G  39   5.194 -32.179   3.925
  413    H4*    G  39           H4*        G  39   4.241 -30.110   5.585
  414    H3*    G  39           H3*        G  39   3.057 -31.893   3.489
  415    H2*    G  39           H2*        G  39   1.274 -30.463   3.034
  416   2HO*    G  39          2HO*        G  39   1.515 -28.651   5.067
  417    H1*    G  39           H1*        G  39   2.477 -28.015   3.439
  418    H8     G  39           H8         G  39   5.017 -29.792   1.441
  419    H1     G  39           H1         G  39  -0.088 -28.246  -2.101
  420   1H2     G  39          1H2         G  39  -1.767 -27.635  -0.786
  421   2H2     G  39          2H2         G  39  -1.634 -27.609   0.958
  422   1H5*    U  40          1H5*        U  40  -0.356 -31.168   6.226
  423   2H5*    U  40          2H5*        U  40  -0.984 -32.782   6.615
  424    H4*    U  40           H4*        U  40  -2.746 -31.243   5.797
  425    H3*    U  40           H3*        U  40  -2.102 -33.753   4.276
  426    H2*    U  40           H2*        U  40  -3.503 -33.182   2.493
  427   2HO*    U  40          2HO*        U  40  -4.740 -30.974   3.586
  428    H1*    U  40           H1*        U  40  -3.127 -30.454   2.457
  429    H3     U  40           H3         U  40  -1.220 -31.877  -1.411
  430    H5     U  40           H5         U  40   1.566 -32.914   1.578
  431    H6     U  40           H6         U  40  -0.066 -32.242   3.243
  432   1H5*    C  41          1H5*        C  41  -6.026 -33.190   4.424
  433   2H5*    C  41          2H5*        C  41  -7.117 -34.471   4.989
  434    H4*    C  41           H4*        C  41  -7.965 -33.673   2.894
  435    H3*    C  41           H3*        C  41  -6.608 -36.364   2.717
  436    H2*    C  41           H2*        C  41  -6.904 -36.421   0.398
  437   2HO*    C  41          2HO*        C  41  -8.411 -34.478  -0.361
  438    H1*    C  41           H1*        C  41  -6.628 -33.701  -0.125
  439   1H4     C  41          1H4         C  41  -1.049 -36.229  -1.837
  440   2H4     C  41          2H4         C  41  -0.622 -36.506  -0.164
  441    H5     C  41           H5         C  41  -2.102 -36.030   1.674
  442    H6     C  41           H6         C  41  -4.325 -35.212   2.305
  443   1H5*    C  42          1H5*        C  42  -9.868 -36.096   0.544
  444   2H5*    C  42          2H5*        C  42 -11.192 -37.254   0.789
  445    H4*    C  42           H4*        C  42 -10.893 -37.050  -1.566
  446    H3*    C  42           H3*        C  42  -9.711 -39.598  -0.455
  447    H2*    C  42           H2*        C  42  -8.917 -40.198  -2.586
  448   2HO*    C  42          2HO*        C  42  -9.908 -38.250  -4.168
  449    H1*    C  42           H1*        C  42  -8.152 -37.694  -3.442
  450   1H4     C  42          1H4         C  42  -2.775 -40.232  -1.177
  451   2H4     C  42          2H4         C  42  -3.351 -40.069   0.465
  452    H5     C  42           H5         C  42  -5.544 -39.256   1.021
  453    H6     C  42           H6         C  42  -7.674 -38.442   0.124
  454   1H5*    U  43          1H5*        U  43 -11.077 -40.241  -4.069
  455   2H5*    U  43          2H5*        U  43 -12.063 -41.702  -4.263
  456    H4*    U  43           H4*        U  43 -10.125 -41.614  -5.820
  457    H3*    U  43           H3*        U  43 -10.311 -43.835  -3.800
  458    H2*    U  43           H2*        U  43  -8.182 -44.553  -4.247
  459   2HO*    U  43          2HO*        U  43  -7.484 -43.869  -6.642
  460    H1*    U  43           H1*        U  43  -7.308 -42.168  -5.681
  461    H3     U  43           H3         U  43  -3.533 -43.170  -3.430
  462    H5     U  43           H5         U  43  -6.316 -42.277  -0.389
  463    H6     U  43           H6         U  43  -8.032 -42.136  -2.098
  464    H3T    U  43           H3T        U  43 -10.942 -43.325  -6.455
  465   1H5*    G  44          1H5*        G  44  -3.180  46.091   6.982
  466   2H5*    G  44          2H5*        G  44  -3.833  44.741   6.030
  467    H4*    G  44           H4*        G  44  -3.121  46.469   4.511
  468    H3*    G  44           H3*        G  44  -1.553  43.934   4.550
  469    H2*    G  44           H2*        G  44   0.271  44.764   3.354
  470   2HO*    G  44          2HO*        G  44  -1.352  46.967   2.551
  471    H1*    G  44           H1*        G  44   0.410  47.311   4.299
  472    H8     G  44           H8         G  44  -0.430  45.575   7.424
  473    H1     G  44           H1         G  44   5.500  44.098   5.507
  474   1H2     G  44          1H2         G  44   5.802  44.750   3.408
  475   2H2     G  44          2H2         G  44   4.550  45.544   2.480
  476    H5T    G  44           H5T        G  44  -2.503  43.859   7.532
  477   1H5*    G  45          1H5*        G  45  -0.627  44.976   1.107
  478   2H5*    G  45          2H5*        G  45  -1.287  43.947  -0.179
  479    H4*    G  45           H4*        G  45   1.078  44.150  -0.540
  480    H3*    G  45           H3*        G  45   0.207  41.467   0.529
  481    H2*    G  45           H2*        G  45   2.412  40.751   0.740
  482   2HO*    G  45          2HO*        G  45   2.932  42.653  -1.296
  483    H1*    G  45           H1*        G  45   3.635  43.251   1.188
  484    H8     G  45           H8         G  45   0.774  42.638   3.584
  485    H1     G  45           H1         G  45   6.239  39.819   5.368
  486   1H2     G  45          1H2         G  45   7.718  39.915   3.714
  487   2H2     G  45          2H2         G  45   7.361  40.672   2.178
  488   1H5*    G  46          1H5*        G  46   2.727  40.928  -2.406
  489   2H5*    G  46          2H5*        G  46   2.324  39.935  -3.821
  490    H4*    G  46           H4*        G  46   4.438  39.166  -3.060
  491    H3*    G  46           H3*        G  46   2.174  37.344  -2.252
  492    H2*    G  46           H2*        G  46   3.598  36.010  -0.980
  493   2HO*    G  46          2HO*        G  46   5.282  35.402  -2.095
  494    H1*    G  46           H1*        G  46   5.455  37.969  -0.211
  495    H8     G  46           H8         G  46   1.718  38.706   0.353
  496    H1     G  46           H1         G  46   4.642  35.771   5.236
  497   1H2     G  46          1H2         G  46   6.698  35.188   4.642
  498   2H2     G  46          2H2         G  46   7.348  35.518   3.053
  499   1H5*    A  47          1H5*        A  47   5.605  35.381  -3.850
  500   2H5*    A  47          2H5*        A  47   5.251  34.111  -5.038
  501    H4*    A  47           H4*        A  47   6.888  33.318  -3.411
  502    H3*    A  47           H3*        A  47   4.162  32.041  -3.370
  503    H2*    A  47           H2*        A  47   4.661  30.796  -1.462
  504   2HO*    A  47          2HO*        A  47   7.042  30.738  -0.821
  505    H1*    A  47           H1*        A  47   6.385  32.585  -0.195
  506    H8     A  47           H8         A  47   3.052  33.966  -1.553
  507   1H6     A  47          1H6         A  47   0.800  32.840   4.084
  508   2H6     A  47          2H6         A  47   0.474  33.549   2.519
  509    H2     A  47           H2         A  47   4.976  31.178   3.908
  510   1H5*    U  48          1H5*        U  48   6.785  28.894  -2.939
  511   2H5*    U  48          2H5*        U  48   6.282  27.454  -3.849
  512    H4*    U  48           H4*        U  48   6.432  27.093  -1.377
  513    H3*    U  48           H3*        U  48   3.854  26.658  -2.866
  514    H2*    U  48           H2*        U  48   2.639  26.340  -0.913
  515   2HO*    U  48          2HO*        U  48   3.428  25.305   0.802
  516    H1*    U  48           H1*        U  48   4.193  27.890   0.854
  517    H3     U  48           H3         U  48   0.170  29.870   1.310
  518    H5     U  48           H5         U  48   1.276  30.764  -2.658
  519    H6     U  48           H6         U  48   3.209  29.325  -2.374
  520   1H5*    A  49          1H5*        A  49   6.812  23.136  -2.443
  521   2H5*    A  49          2H5*        A  49   6.477  21.415  -2.164
  522    H4*    A  49           H4*        A  49   7.568  23.360  -0.354
  523    H3*    A  49           H3*        A  49   7.862  20.662  -0.653
  524    H2*    A  49           H2*        A  49   5.850  19.882   0.249
  525   2HO*    A  49          2HO*        A  49   7.147  20.573   2.687
  526    H1*    A  49           H1*        A  49   5.539  21.959   2.344
  527    H8     A  49           H8         A  49   3.812  21.618  -1.117
  528   1H6     A  49          1H6         A  49  -1.248  20.183   2.128
  529   2H6     A  49          2H6         A  49  -0.609  20.495   0.530
  530    H2     A  49           H2         A  49   2.170  20.616   5.013
  531   1H5*    U  50          1H5*        U  50  10.430  20.131   4.669
  532   2H5*    U  50          2H5*        U  50   9.678  18.743   3.854
  533    H4*    U  50           H4*        U  50   9.082  19.075   6.307
  534    H3*    U  50           H3*        U  50   7.456  18.126   4.242
  535    H2*    U  50           H2*        U  50   6.086  20.010   3.988
  536   2HO*    U  50          2HO*        U  50   4.257  19.814   5.316
  537    H1*    U  50           H1*        U  50   6.263  20.722   6.903
  538    H3     U  50           H3         U  50   7.293  25.246   5.233
  539    H5     U  50           H5         U  50   3.670  23.650   3.786
  540    H6     U  50           H6         U  50   4.371  21.479   4.614
  541   1H5*    G  51          1H5*        G  51   3.805  18.351   6.739
  542   2H5*    G  51          2H5*        G  51   4.073  16.784   7.530
  543    H4*    G  51           H4*        G  51   1.785  16.757   7.075
  544    H3*    G  51           H3*        G  51   3.334  15.259   5.002
  545    H2*    G  51           H2*        G  51   1.570  15.123   3.496
  546   2HO*    G  51          2HO*        G  51  -0.372  15.873   5.400
  547    H1*    G  51           H1*        G  51   0.231  17.479   4.043
  548    H8     G  51           H8         G  51   3.870  18.336   3.805
  549    H1     G  51           H1         G  51   1.170  17.446  -1.925
  550   1H2     G  51          1H2         G  51  -0.839  16.555  -1.691
  551   2H2     G  51          2H2         G  51  -1.519  16.176  -0.129
  552   1H5*    G  52          1H5*        G  52   1.927  10.969   4.123
  553   2H5*    G  52          2H5*        G  52   2.946  11.746   2.895
  554    H4*    G  52           H4*        G  52  -0.057  11.696   3.128
  555    H3*    G  52           H3*        G  52   1.962  10.810   1.125
  556    H2*    G  52           H2*        G  52   0.933  11.798  -0.717
  557   2HO*    G  52          2HO*        G  52  -1.307  11.150   0.660
  558    H1*    G  52           H1*        G  52  -0.101  14.065   0.386
  559    H8     G  52           H8         G  52   3.114  14.110   2.102
  560    H1     G  52           H1         G  52   3.900  15.145  -4.168
  561   1H2     G  52          1H2         G  52   2.049  14.583  -5.266
  562   2H2     G  52          2H2         G  52   0.628  13.961  -4.458
  563   1H5*    A  53          1H5*        A  53  -1.414   8.316  -0.878
  564   2H5*    A  53          2H5*        A  53  -0.580   6.754  -0.745
  565    H4*    A  53           H4*        A  53  -1.226   7.397  -3.086
  566    H3*    A  53           H3*        A  53   1.654   6.864  -2.360
  567    H2*    A  53           H2*        A  53   2.364   7.433  -4.516
  568   2HO*    A  53          2HO*        A  53  -0.285   6.769  -5.224
  569    H1*    A  53           H1*        A  53   0.505   9.428  -5.059
  570    H8     A  53           H8         A  53   1.880  10.026  -1.609
  571   1H6     A  53          1H6         A  53   6.746  12.714  -4.315
  572   2H6     A  53          2H6         A  53   5.927  12.418  -2.796
  573    H2     A  53           H2         A  53   4.322  10.690  -7.513
  574   1H5*    A  54          1H5*        A  54   0.906   5.102  -6.187
  575   2H5*    A  54          2H5*        A  54   1.454   3.415  -6.128
  576    H4*    A  54           H4*        A  54   2.347   4.590  -8.097
  577    H3*    A  54           H3*        A  54   4.351   3.748  -5.988
  578    H2*    A  54           H2*        A  54   6.082   4.655  -7.289
  579   2HO*    A  54          2HO*        A  54   5.803   3.858  -9.278
  580    H1*    A  54           H1*        A  54   4.663   6.816  -8.340
  581    H8     A  54           H8         A  54   4.274   6.349  -4.561
  582   1H6     A  54          1H6         A  54   9.363   9.818  -4.017
  583   2H6     A  54          2H6         A  54   8.076   9.010  -3.151
  584    H2     A  54           H2         A  54   8.739   8.948  -8.381
  585   1H5*    G  55          1H5*        G  55   5.591   1.578  -9.846
  586   2H5*    G  55          2H5*        G  55   6.405   0.092  -9.317
  587    H4*    G  55           H4*        G  55   7.786   1.593 -10.798
  588    H3*    G  55           H3*        G  55   8.761   0.855  -8.030
  589    H2*    G  55           H2*        G  55  10.707   2.143  -8.375
  590   2HO*    G  55          2HO*        G  55  10.092   2.497 -11.119
  591    H1*    G  55           H1*        G  55   9.532   4.215  -9.771
  592    H8     G  55           H8         G  55   7.469   3.065  -6.763
  593    H1     G  55           H1         G  55  12.167   7.153  -5.309
  594   1H2     G  55          1H2         G  55  13.448   7.498  -7.088
  595   2H2     G  55          2H2         G  55  13.150   6.717  -8.623
  596   1H5*    A  56          1H5*        A  56  11.739   0.470 -10.178
  597   2H5*    A  56          2H5*        A  56  12.511  -1.110 -10.426
  598    H4*    A  56           H4*        A  56  14.316   0.265  -9.890
  599    H3*    A  56           H3*        A  56  13.348  -1.107  -7.383
  600    H2*    A  56           H2*        A  56  14.781   0.153  -6.061
  601   2HO*    A  56          2HO*        A  56  16.395   0.946  -8.235
  602    H1*    A  56           H1*        A  56  14.990   2.440  -7.729
  603    H8     A  56           H8         A  56  11.520   1.276  -6.535
  604   1H6     A  56          1H6         A  56  12.313   5.226  -1.858
  605   2H6     A  56          2H6         A  56  11.198   4.136  -2.646
  606    H2     A  56           H2         A  56  16.149   5.068  -4.198
  607   1H5*    A  57          1H5*        A  57  17.990  -1.605  -8.080
  608   2H5*    A  57          2H5*        A  57  18.335  -3.227  -7.448
  609    H4*    A  57           H4*        A  57  19.930  -1.502  -6.633
  610    H3*    A  57           H3*        A  57  18.192  -2.950  -4.629
  611    H2*    A  57           H2*        A  57  19.118  -1.690  -2.878
  612   2HO*    A  57          2HO*        A  57  21.239  -1.666  -3.048
  613    H1*    A  57           H1*        A  57  19.380   0.720  -4.218
  614    H8     A  57           H8         A  57  16.061  -1.111  -4.816
  615   1H6     A  57          1H6         A  57  13.942   1.984   0.084
  616   2H6     A  57          2H6         A  57  13.523   0.916  -1.235
  617    H2     A  57           H2         A  57  18.360   2.772  -0.245
  618   1H5*    C  58          1H5*        C  58  22.171  -3.422  -2.893
  619   2H5*    C  58          2H5*        C  58  22.305  -5.138  -2.461
  620    H4*    C  58           H4*        C  58  22.784  -3.759  -0.517
  621    H3*    C  58           H3*        C  58  20.163  -5.268  -0.406
  622    H2*    C  58           H2*        C  58  19.734  -4.351   1.714
  623   2HO*    C  58          2HO*        C  58  22.016  -3.050   2.305
  624    H1*    C  58           H1*        C  58  20.884  -1.844   1.275
  625   1H4     C  58          1H4         C  58  14.631  -0.830   0.742
  626   2H4     C  58          2H4         C  58  14.587  -1.688  -0.782
  627    H5     C  58           H5         C  58  16.510  -2.770  -1.744
  628    H6     C  58           H6         C  58  18.882  -3.309  -1.431
  629   1H5*    C  59          1H5*        C  59  21.808  -5.826   2.989
  630   2H5*    C  59          2H5*        C  59  21.696  -7.412   3.780
  631    H4*    C  59           H4*        C  59  20.566  -5.747   5.137
  632    H3*    C  59           H3*        C  59  18.734  -7.707   3.737
  633    H2*    C  59           H2*        C  59  16.877  -6.614   4.625
  634   2HO*    C  59          2HO*        C  59  18.646  -6.082   6.713
  635    H1*    C  59           H1*        C  59  18.041  -4.032   4.849
  636   1H4     C  59          1H4         C  59  13.596  -3.434   0.350
  637   2H4     C  59          2H4         C  59  14.497  -4.468  -0.739
  638    H5     C  59           H5         C  59  16.565  -5.551  -0.124
  639    H6     C  59           H6         C  59  18.190  -5.905   1.679
  640   1H5*    G  60          1H5*        G  60  18.577  -7.952   8.557
  641   2H5*    G  60          2H5*        G  60  18.148  -9.652   8.835
  642    H4*    G  60           H4*        G  60  16.856  -8.106  10.270
  643    H3*    G  60           H3*        G  60  15.347  -9.738   8.220
  644    H2*    G  60           H2*        G  60  13.330  -8.746   8.897
  645   2HO*    G  60          2HO*        G  60  12.960  -8.095  10.899
  646    H1*    G  60           H1*        G  60  14.311  -6.201   9.426
  647    H8     G  60           H8         G  60  15.665  -7.568   6.156
  648    H1     G  60           H1         G  60   9.829  -4.982   5.627
  649   1H2     G  60          1H2         G  60   9.003  -4.559   7.644
  650   2H2     G  60          2H2         G  60   9.885  -4.908   9.113
  651   1H5*    G  61          1H5*        G  61  13.026  -9.774  11.606
  652   2H5*    G  61          2H5*        G  61  12.753 -11.449  12.123
  653    H4*    G  61           H4*        G  61  10.639 -10.256  12.082
  654    H3*    G  61           H3*        G  61  10.994 -12.342   9.928
  655    H2*    G  61           H2*        G  61   8.950 -11.773   8.977
  656   2HO*    G  61          2HO*        G  61   8.093 -10.397  11.296
  657    H1*    G  61           H1*        G  61   8.860  -9.063   9.800
  658    H8     G  61           H8         G  61  11.962 -10.063   7.824
  659    H1     G  61           H1         G  61   6.967  -8.464   4.163
  660   1H2     G  61          1H2         G  61   5.148  -8.226   5.415
  661   2H2     G  61          2H2         G  61   5.166  -8.463   7.148
  662   1H5*    G  62          1H5*        G  62   6.905 -12.321  11.493
  663   2H5*    G  62          2H5*        G  62   6.602 -13.992  12.014
  664    H4*    G  62           H4*        G  62   4.707 -13.168  10.730
  665    H3*    G  62           H3*        G  62   6.375 -15.291   9.375
  666    H2*    G  62           H2*        G  62   5.045 -15.159   7.459
  667   2HO*    G  62          2HO*        G  62   3.073 -14.123   9.220
  668    H1*    G  62           H1*        G  62   4.343 -12.439   7.653
  669    H8     G  62           H8         G  62   8.061 -13.422   7.852
  670    H1     G  62           H1         G  62   5.946 -12.156   1.946
  671   1H2     G  62          1H2         G  62   3.746 -11.861   1.973
  672   2H2     G  62          2H2         G  62   2.802 -11.974   3.441
  673   1H5*    G  63          1H5*        G  63   6.531 -19.162   9.042
  674   2H5*    G  63          2H5*        G  63   6.739 -17.404   8.949
  675    H4*    G  63           H4*        G  63   4.353 -18.543   7.576
  676    H3*    G  63           H3*        G  63   7.167 -19.188   6.720
  677    H2*    G  63           H2*        G  63   6.734 -18.558   4.500
  678   2HO*    G  63          2HO*        G  63   3.950 -18.361   4.993
  679    H1*    G  63           H1*        G  63   5.116 -16.391   4.973
  680    H8     G  63           H8         G  63   7.756 -16.045   7.565
  681    H1     G  63           H1         G  63  10.015 -14.770   1.715
  682   1H2     G  63          1H2         G  63   8.545 -15.373   0.183
  683   2H2     G  63          2H2         G  63   7.009 -16.101   0.592
  684   1H5*    A  64          1H5*        A  64   8.436 -23.368   5.755
  685   2H5*    A  64          2H5*        A  64   9.075 -21.747   5.415
  686    H4*    A  64           H4*        A  64   9.535 -23.588   3.686
  687    H3*    A  64           H3*        A  64   8.553 -20.830   3.113
  688    H2*    A  64           H2*        A  64   7.885 -21.275   0.923
  689   2HO*    A  64          2HO*        A  64   9.455 -23.653   0.991
  690    H1*    A  64           H1*        A  64   6.998 -23.850   1.147
  691    H8     A  64           H8         A  64   6.032 -21.723   4.171
  692   1H6     A  64          1H6         A  64   0.885 -20.339   1.073
  693   2H6     A  64          2H6         A  64   1.718 -20.221   2.606
  694    H2     A  64           H2         A  64   3.614 -22.559  -1.722
  695   1H5*    A  65          1H5*        A  65  10.921 -18.195   0.142
  696   2H5*    A  65          2H5*        A  65   9.328 -17.617   0.673
  697    H4*    A  65           H4*        A  65  10.048 -19.513  -1.524
  698    H3*    A  65           H3*        A  65   8.264 -17.133  -1.182
  699    H2*    A  65           H2*        A  65   6.513 -18.034  -2.435
  700   2HO*    A  65          2HO*        A  65   7.150 -20.146  -3.651
  701    H1*    A  65           H1*        A  65   6.716 -20.680  -1.755
  702    H8     A  65           H8         A  65   7.173 -19.312   1.578
  703   1H6     A  65          1H6         A  65   1.176 -17.866   1.728
  704   2H6     A  65          2H6         A  65   2.631 -18.072   2.677
  705    H2     A  65           H2         A  65   2.274 -18.747  -2.539
  706   1H5*    A  66          1H5*        A  66   7.589 -16.746  -6.083
  707   2H5*    A  66          2H5*        A  66   7.858 -15.030  -5.718
  708    H4*    A  66           H4*        A  66   5.516 -15.868  -6.590
  709    H3*    A  66           H3*        A  66   6.086 -13.792  -4.495
  710    H2*    A  66           H2*        A  66   3.841 -13.658  -3.834
  711   2HO*    A  66          2HO*        A  66   3.303 -14.821  -6.368
  712    H1*    A  66           H1*        A  66   3.133 -16.291  -4.063
  713    H8     A  66           H8         A  66   6.653 -15.659  -2.640
  714   1H6     A  66          1H6         A  66   3.964 -15.829   2.916
  715   2H6     A  66          2H6         A  66   5.490 -15.774   2.059
  716    H2     A  66           H2         A  66   0.715 -15.953  -0.207
  717   1H5*    C  67          1H5*        C  67   3.593 -11.615  -6.630
  718   2H5*    C  67          2H5*        C  67   3.948  -9.878  -6.707
  719    H4*    C  67           H4*        C  67   2.089 -10.506  -5.131
  720    H3*    C  67           H3*        C  67   4.530  -9.022  -4.151
  721    H2*    C  67           H2*        C  67   3.736  -9.077  -1.945
  722   2HO*    C  67          2HO*        C  67   1.192 -10.047  -2.635
  723    H1*    C  67           H1*        C  67   2.547 -11.579  -1.999
  724   1H4     C  67          1H4         C  67   8.172 -12.535   0.815
  725   2H4     C  67          2H4         C  67   9.010 -12.313  -0.705
  726    H5     C  67           H5         C  67   7.891 -11.719  -2.753
  727    H6     C  67           H6         C  67   5.730 -11.205  -3.787
  728   1H5*    U  68          1H5*        U  68   1.508  -7.730  -2.199
  729   2H5*    U  68          2H5*        U  68   1.194  -5.984  -2.249
  730    H4*    U  68           H4*        U  68   1.189  -6.717   0.054
  731    H3*    U  68           H3*        U  68   3.616  -5.094  -0.734
  732    H2*    U  68           H2*        U  68   4.479  -5.321   1.439
  733   2HO*    U  68          2HO*        U  68   3.210  -5.731   3.215
  734    H1*    U  68           H1*        U  68   3.491  -7.888   1.966
  735    H3     U  68           H3         U  68   7.947  -8.560   2.198
  736    H5     U  68           H5         U  68   7.248  -7.875  -1.900
  737    H6     U  68           H6         U  68   4.944  -7.348  -1.352
  738   1H5*    U  69          1H5*        U  69   2.056  -3.910   2.534
  739   2H5*    U  69          2H5*        U  69   1.556  -2.246   2.899
  740    H4*    U  69           H4*        U  69   2.844  -2.877   4.759
  741    H3*    U  69           H3*        U  69   4.587  -1.344   2.815
  742    H2*    U  69           H2*        U  69   6.417  -1.660   4.229
  743   2HO*    U  69          2HO*        U  69   4.456  -1.973   6.249
  744    H1*    U  69           H1*        U  69   5.644  -4.154   5.292
  745    H3     U  69           H3         U  69   9.615  -5.240   3.455
  746    H5     U  69           H5         U  69   7.288  -4.090   0.140
  747    H6     U  69           H6         U  69   5.524  -3.455   1.678
  748   1H5*    G  70          1H5*        G  70   5.140  -0.301   6.418
  749   2H5*    G  70          2H5*        G  70   5.426   1.374   6.931
  750    H4*    G  70           H4*        G  70   7.297   0.025   7.630
  751    H3*    G  70           H3*        G  70   7.929   1.819   5.270
  752    H2*    G  70           H2*        G  70  10.096   0.960   5.231
  753   2HO*    G  70          2HO*        G  70  10.047  -0.259   7.734
  754    H1*    G  70           H1*        G  70   9.482  -1.580   6.366
  755    H8     G  70           H8         G  70   7.807  -0.430   3.080
  756    H1     G  70           H1         G  70  13.239  -3.748   2.385
  757   1H2     G  70          1H2         G  70  14.155  -4.111   4.375
  758   2H2     G  70          2H2         G  70  13.430  -3.537   5.860
  759   1H5*    G  71          1H5*        G  71  10.616   2.557   9.152
  760   2H5*    G  71          2H5*        G  71  10.457   4.320   9.264
  761    H4*    G  71           H4*        G  71  12.687   4.001   9.822
  762    H3*    G  71           H3*        G  71  12.477   4.602   6.882
  763    H2*    G  71           H2*        G  71  14.741   4.110   6.504
  764   2HO*    G  71          2HO*        G  71  15.225   4.051   9.307
  765    H1*    G  71           H1*        G  71  15.028   1.976   8.191
  766    H8     G  71           H8         G  71  11.641   1.901   6.451
  767    H1     G  71           H1         G  71  16.389  -0.533   2.915
  768   1H2     G  71          1H2         G  71  18.338  -0.180   3.916
  769   2H2     G  71          2H2         G  71  18.474   0.673   5.436
  770   1H5*    U  72          1H5*        U  72  16.018   6.963   7.949
  771   2H5*    U  72          2H5*        U  72  15.565   8.619   7.495
  772    H4*    U  72           H4*        U  72  17.726   8.097   6.538
  773    H3*    U  72           H3*        U  72  15.451   8.266   4.561
  774    H2*    U  72           H2*        U  72  16.877   7.669   2.798
  775   2HO*    U  72          2HO*        U  72  18.905   8.279   2.723
  776    H1*    U  72           H1*        U  72  18.499   5.885   4.164
  777    H3     U  72           H3         U  72  16.347   3.268   1.154
  778    H5     U  72           H5         U  72  13.379   4.227   3.992
  779    H6     U  72           H6         U  72  14.965   5.729   5.046
  780   1H5*    U  73          1H5*        U  73  18.922  10.363   3.091
  781   2H5*    U  73          2H5*        U  73  18.448  11.948   2.449
  782    H4*    U  73           H4*        U  73  19.885  10.688   0.877
  783    H3*    U  73           H3*        U  73  17.034  11.244   0.012
  784    H2*    U  73           H2*        U  73  17.503  10.204  -2.060
  785   2HO*    U  73          2HO*        U  73  20.053   9.516  -1.949
  786    H1*    U  73           H1*        U  73  18.987   8.115  -1.052
  787    H3     U  73           H3         U  73  15.094   6.238  -2.456
  788    H5     U  73           H5         U  73  14.110   8.088   1.204
  789    H6     U  73           H6         U  73  16.325   9.080   1.221
  790   1H5*    C  74          1H5*        C  74  19.336  12.115  -3.233
  791   2H5*    C  74          2H5*        C  74  18.822  13.628  -4.006
  792    H4*    C  74           H4*        C  74  18.790  11.775  -5.603
  793    H3*    C  74           H3*        C  74  16.046  12.822  -4.838
  794    H2*    C  74           H2*        C  74  15.144  11.325  -6.428
  795   2HO*    C  74          2HO*        C  74  16.151  11.240  -8.263
  796    H1*    C  74           H1*        C  74  16.976   9.255  -5.980
  797   1H4     C  74          1H4         C  74  11.683   7.407  -2.981
  798   2H4     C  74          2H4         C  74  11.957   8.578  -1.711
  799    H5     C  74           H5         C  74  13.772  10.162  -1.744
  800    H6     C  74           H6         C  74  15.699  10.985  -3.015
  801   1H5*    U  75          1H5*        U  75  16.610  13.795  -8.824
  802   2H5*    U  75          2H5*        U  75  15.640  15.069  -9.589
  803    H4*    U  75           H4*        U  75  14.977  12.750 -10.255
  804    H3*    U  75           H3*        U  75  12.932  14.455  -8.805
  805    H2*    U  75           H2*        U  75  11.382  12.714  -9.064
  806   2HO*    U  75          2HO*        U  75  12.930  12.164 -11.309
  807    H1*    U  75           H1*        U  75  13.245  10.600  -8.902
  808    H3     U  75           H3         U  75  10.213   9.880  -5.584
  809    H5     U  75           H5         U  75  12.714  12.933  -4.114
  810    H6     U  75           H6         U  75  13.742  13.058  -6.310
  811   1H5*    U  76          1H5*        U  76  11.315  13.599 -12.524
  812   2H5*    U  76          2H5*        U  76  10.520  14.935 -13.380
  813    H4*    U  76           H4*        U  76   8.967  13.093 -13.179
  814    H3*    U  76           H3*        U  76   8.355  15.483 -11.442
  815    H2*    U  76           H2*        U  76   6.589  14.370 -10.417
  816   2HO*    U  76          2HO*        U  76   6.507  12.674 -12.707
  817    H1*    U  76           H1*        U  76   7.524  11.716 -10.731
  818    H3     U  76           H3         U  76   6.817  11.968  -6.271
  819    H5     U  76           H5         U  76  10.096  14.529  -6.923
  820    H6     U  76           H6         U  76   9.795  14.203  -9.310
  821   1H5*    C  77          1H5*        C  77   4.264  17.297 -13.297
  822   2H5*    C  77          2H5*        C  77   4.480  18.106 -11.730
  823    H4*    C  77           H4*        C  77   2.896  15.725 -12.434
  824    H3*    C  77           H3*        C  77   2.840  17.853 -10.301
  825    H2*    C  77           H2*        C  77   1.815  16.426  -8.771
  826   2HO*    C  77          2HO*        C  77   1.100  14.281 -10.206
  827    H1*    C  77           H1*        C  77   2.910  13.998  -9.617
  828   1H4     C  77          1H4         C  77   5.835  15.693  -4.182
  829   2H4     C  77          2H4         C  77   7.126  16.382  -5.140
  830    H5     C  77           H5         C  77   7.026  16.580  -7.540
  831    H6     C  77           H6         C  77   5.670  16.158  -9.537
  832   1H5*    C  78          1H5*        C  78  -0.667  16.050  -9.895
  833   2H5*    C  78          2H5*        C  78  -1.953  17.094 -10.534
  834    H4*    C  78           H4*        C  78  -2.836  16.244  -8.527
  835    H3*    C  78           H3*        C  78  -1.745  19.025  -8.169
  836    H2*    C  78           H2*        C  78  -1.996  18.952  -5.859
  837   2HO*    C  78          2HO*        C  78  -3.797  16.764  -6.083
  838    H1*    C  78           H1*        C  78  -1.702  16.187  -5.449
  839   1H4     C  78          1H4         C  78   3.702  18.668  -3.207
  840   2H4     C  78          2H4         C  78   4.229  19.067  -4.825
  841    H5     C  78           H5         C  78   2.870  18.718  -6.781
  842    H6     C  78           H6         C  78   0.707  17.919  -7.608
  843   1H5*    U  79          1H5*        U  79  -5.283  21.951  -6.783
  844   2H5*    U  79          2H5*        U  79  -3.752  22.497  -6.066
  845    H4*    U  79           H4*        U  79  -5.860  20.687  -4.943
  846    H3*    U  79           H3*        U  79  -4.358  23.110  -4.045
  847    H2*    U  79           H2*        U  79  -3.957  22.319  -1.896
  848   2HO*    U  79          2HO*        U  79  -6.361  20.981  -2.342
  849    H1*    U  79           H1*        U  79  -3.769  19.602  -2.362
  850    H3     U  79           H3         U  79   0.286  21.158  -0.859
  851    H5     U  79           H5         U  79   0.308  21.712  -5.038
  852    H6     U  79           H6         U  79  -2.051  21.142  -5.059
  853   1H5*    A  80          1H5*        A  80  -7.398  23.332  -0.812
  854   2H5*    A  80          2H5*        A  80  -7.821  25.054  -0.862
  855    H4*    A  80           H4*        A  80  -6.676  23.983   1.272
  856    H3*    A  80           H3*        A  80  -6.972  26.606   0.470
  857    H2*    A  80           H2*        A  80  -4.900  26.926  -0.582
  858   2HO*    A  80          2HO*        A  80  -3.570  27.967   0.813
  859    H1*    A  80           H1*        A  80  -3.404  25.165   1.324
  860    H8     A  80           H8         A  80  -4.317  25.345  -2.473
  861   1H6     A  80          1H6         A  80   1.752  24.658  -3.391
  862   2H6     A  80          2H6         A  80   0.193  24.853  -4.161
  863    H2     A  80           H2         A  80   1.017  24.656   1.044
  864   1H5*    A  81          1H5*        A  81  -8.480  26.618   5.535
  865   2H5*    A  81          2H5*        A  81  -7.919  28.260   5.912
  866    H4*    A  81           H4*        A  81  -7.506  26.472   7.687
  867    H3*    A  81           H3*        A  81  -5.400  28.323   6.614
  868    H2*    A  81           H2*        A  81  -3.658  27.186   7.645
  869   2HO*    A  81          2HO*        A  81  -3.896  26.058   9.543
  870    H1*    A  81           H1*        A  81  -4.722  24.601   7.693
  871    H8     A  81           H8         A  81  -5.126  25.517   4.169
  872   1H6     A  81          1H6         A  81   0.940  24.692   3.352
  873   2H6     A  81          2H6         A  81  -0.604  24.905   2.556
  874    H2     A  81           H2         A  81   0.143  24.792   7.776
  875   1H5*    G  82          1H5*        G  82  -4.492  30.092  10.872
  876   2H5*    G  82          2H5*        G  82  -3.238  31.113  10.141
  877    H4*    G  82           H4*        G  82  -2.909  28.587  11.332
  878    H3*    G  82           H3*        G  82  -1.151  30.498   9.848
  879    H2*    G  82           H2*        G  82   0.373  28.875   9.155
  880   2HO*    G  82          2HO*        G  82   0.952  27.794  10.917
  881    H1*    G  82           H1*        G  82  -1.290  26.730   8.773
  882    H8     G  82           H8         G  82  -3.256  29.503   7.307
  883    H1     G  82           H1         G  82   1.742  27.945   3.620
  884   1H2     G  82          1H2         G  82   3.133  26.630   4.742
  885   2H2     G  82          2H2         G  82   2.836  26.139   6.394
  886   1H5*    U  83          1H5*        U  83   2.033  28.635  12.539
  887   2H5*    U  83          2H5*        U  83   2.740  30.117  13.215
  888    H4*    U  83           H4*        U  83   4.389  28.584  12.097
  889    H3*    U  83           H3*        U  83   4.044  31.450  11.273
  890    H2*    U  83           H2*        U  83   5.434  31.224   9.407
  891   2HO*    U  83          2HO*        U  83   6.529  29.115  10.901
  892    H1*    U  83           H1*        U  83   4.792  28.663   8.643
  893    H3     U  83           H3         U  83   3.137  31.333   5.348
  894    H5     U  83           H5         U  83   0.319  31.610   8.471
  895    H6     U  83           H6         U  83   1.856  30.369   9.880
  896   1H5*    C  84          1H5*        C  84   8.055  30.694  11.425
  897   2H5*    C  84          2H5*        C  84   9.076  31.849  12.308
  898    H4*    C  84           H4*        C  84   9.954  31.565  10.070
  899    H3*    C  84           H3*        C  84   8.643  34.226  10.628
  900    H2*    C  84           H2*        C  84   8.964  34.912   8.410
  901   2HO*    C  84          2HO*        C  84  10.489  33.980   7.051
  902    H1*    C  84           H1*        C  84   8.574  32.472   7.157
  903   1H4     C  84          1H4         C  84   3.036  35.520   6.460
  904   2H4     C  84          2H4         C  84   2.650  35.272   8.147
  905    H5     C  84           H5         C  84   4.157  34.227   9.707
  906    H6     C  84           H6         C  84   6.369  33.212   9.993
  907   1H5*    C  85          1H5*        C  85  11.876  34.637   8.566
  908   2H5*    C  85          2H5*        C  85  13.230  35.637   9.131
  909    H4*    C  85           H4*        C  85  12.899  36.225   6.858
  910    H3*    C  85           H3*        C  85  11.695  38.262   8.735
  911    H2*    C  85           H2*        C  85  10.861  39.494   6.920
  912   2HO*    C  85          2HO*        C  85  11.607  39.047   4.748
  913    H1*    C  85           H1*        C  85  10.186  37.375   5.275
  914   1H4     C  85          1H4         C  85   4.679  38.963   8.029
  915   2H4     C  85          2H4         C  85   5.210  38.294   9.555
  916    H5     C  85           H5         C  85   7.415  37.395   9.906
  917    H6     C  85           H6         C  85   9.593  36.951   8.875
  918   1H5*    U  86          1H5*        U  86  13.030  40.063   5.528
  919   2H5*    U  86          2H5*        U  86  14.030  41.501   5.817
  920    H4*    U  86           H4*        U  86  12.122  41.980   4.325
  921    H3*    U  86           H3*        U  86  12.261  43.338   7.000
  922    H2*    U  86           H2*        U  86  10.102  44.077   6.875
  923   2HO*    U  86          2HO*        U  86  10.166  44.236   4.053
  924    H1*    U  86           H1*        U  86   9.317  42.438   4.576
  925    H3     U  86           H3         U  86   5.407  42.322   6.782
  926    H5     U  86           H5         U  86   8.126  40.607   9.512
  927    H6     U  86           H6         U  86   9.915  41.162   7.968
  928    H3T    U  86           H3T        U  86  12.270  45.089   5.195
  929   1HN1  NCO 101          1HN1      NCO 101 -15.565  11.145   4.778
  930   2HN1  NCO 101          2HN1      NCO 101 -14.726  11.193   6.183
  931   3HN1  NCO 101          3HN1      NCO 101 -15.062   9.755   5.480
  932   1HN2  NCO 101          1HN2      NCO 101 -12.553  11.756   6.525
  933   2HN2  NCO 101          2HN2      NCO 101 -11.513  12.343   5.405
  934   3HN2  NCO 101          3HN2      NCO 101 -13.019  12.972   5.533
  935   1HN3  NCO 101          1HN3      NCO 101 -13.497  13.143   3.495
  936   2HN3  NCO 101          2HN3      NCO 101 -13.680  12.107   2.240
  937   3HN3  NCO 101          3HN3      NCO 101 -14.888  12.293   3.331
  938   1HN4  NCO 101          1HN4      NCO 101 -14.553   8.969   3.439
  939   2HN4  NCO 101          2HN4      NCO 101 -13.080   8.892   2.727
  940   3HN4  NCO 101          3HN4      NCO 101 -14.186   9.982   2.208
  941   1HN5  NCO 101          1HN5      NCO 101 -13.005   9.218   6.190
  942   2HN5  NCO 101          2HN5      NCO 101 -11.489   9.599   5.699
  943   3HN5  NCO 101          3HN5      NCO 101 -12.377   8.517   4.849
  944   1HN6  NCO 101          1HN6      NCO 101 -11.629  11.280   2.370
  945   2HN6  NCO 101          2HN6      NCO 101 -10.831  11.591   3.766
  946   3HN6  NCO 101          3HN6      NCO 101 -11.011  10.047   3.252
  947   1HN1  NCO 102          1HN1      NCO 102  -9.184 -17.355  -0.925
  948   2HN1  NCO 102          2HN1      NCO 102 -10.623 -16.636  -1.229
  949   3HN1  NCO 102          3HN1      NCO 102 -10.287 -18.101  -1.878
  950   1HN2  NCO 102          1HN2      NCO 102  -8.910 -18.806  -3.410
  951   2HN2  NCO 102          2HN2      NCO 102  -8.297 -18.102  -4.756
  952   3HN2  NCO 102          3HN2      NCO 102  -9.918 -18.255  -4.577
  953   1HN3  NCO 102          1HN3      NCO 102  -7.384 -17.229  -1.667
  954   2HN3  NCO 102          2HN3      NCO 102  -6.743 -17.070  -3.166
  955   3HN3  NCO 102          3HN3      NCO 102  -6.917 -15.755  -2.205
  956   1HN4  NCO 102          1HN4      NCO 102  -8.750 -14.676  -1.400
  957   2HN4  NCO 102          2HN4      NCO 102  -8.737 -13.909  -2.847
  958   3HN4  NCO 102          3HN4      NCO 102 -10.161 -14.340  -2.161
  959   1HN5  NCO 102          1HN5      NCO 102 -10.976 -16.360  -4.858
  960   2HN5  NCO 102          2HN5      NCO 102 -11.156 -15.071  -3.866
  961   3HN5  NCO 102          3HN5      NCO 102 -11.590 -16.565  -3.354
  962   1HN6  NCO 102          1HN6      NCO 102  -8.450 -14.499  -4.743
  963   2HN6  NCO 102          2HN6      NCO 102  -8.797 -15.837  -5.620
  964   3HN6  NCO 102          3HN6      NCO 102  -7.359 -15.717  -4.846
  965   1HN1  NCO 103          1HN1      NCO 103  14.450  -8.702   2.307
  966   2HN1  NCO 103          2HN1      NCO 103  14.772  -9.837   1.170
  967   3HN1  NCO 103          3HN1      NCO 103  13.905  -8.505   0.775
  968   1HN2  NCO 103          1HN2      NCO 103  11.868  -8.348   3.627
  969   2HN2  NCO 103          2HN2      NCO 103  12.129  -7.658   2.165
  970   3HN2  NCO 103          3HN2      NCO 103  10.702  -8.396   2.478
  971   1HN3  NCO 103          1HN3      NCO 103  14.168 -10.541   3.694
  972   2HN3  NCO 103          2HN3      NCO 103  12.823 -11.394   4.074
  973   3HN3  NCO 103          3HN3      NCO 103  12.892  -9.789   4.391
  974   1HN4  NCO 103          1HN4      NCO 103  12.925 -12.552   1.906
  975   2HN4  NCO 103          2HN4      NCO 103  12.821 -11.980   0.375
  976   3HN4  NCO 103          3HN4      NCO 103  14.178 -11.722   1.255
  977   1HN5  NCO 103          1HN5      NCO 103  11.084 -10.454  -0.095
  978   2HN5  NCO 103          2HN5      NCO 103  11.223  -8.850   0.207
  979   3HN5  NCO 103          3HN5      NCO 103  12.471  -9.667  -0.470
  980   1HN6  NCO 103          1HN6      NCO 103  10.731 -11.172   3.460
  981   2HN6  NCO 103          2HN6      NCO 103  10.712 -11.929   2.008
  982   3HN6  NCO 103          3HN6      NCO 103   9.971 -10.480   2.187
  983   1HN1  NCO 104          1HN1      NCO 104   7.929  13.484  -2.157
  984   2HN1  NCO 104          2HN1      NCO 104   8.515  12.909  -0.741
  985   3HN1  NCO 104          3HN1      NCO 104   9.499  13.039  -2.043
  986   1HN2  NCO 104          1HN2      NCO 104   7.087  14.499   0.018
  987   2HN2  NCO 104          2HN2      NCO 104   7.959  15.309   1.143
  988   3HN2  NCO 104          3HN2      NCO 104   7.106  16.137   0.017
  989   1HN3  NCO 104          1HN3      NCO 104   7.158  16.109  -2.152
  990   2HN3  NCO 104          2HN3      NCO 104   8.460  16.894  -2.760
  991   3HN3  NCO 104          3HN3      NCO 104   8.126  15.366  -3.246
  992   1HN4  NCO 104          1HN4      NCO 104  10.615  15.899  -2.962
  993   2HN4  NCO 104          2HN4      NCO 104  11.584  15.501  -1.703
  994   3HN4  NCO 104          3HN4      NCO 104  10.862  14.325  -2.584
  995   1HN5  NCO 104          1HN5      NCO 104  11.144  15.114   0.540
  996   2HN5  NCO 104          2HN5      NCO 104  10.571  13.615   0.211
  997   3HN5  NCO 104          3HN5      NCO 104   9.796  14.570   1.293
  998   1HN6  NCO 104          1HN6      NCO 104   9.679  17.183   0.543
  999   2HN6  NCO 104          2HN6      NCO 104  10.553  17.382  -0.826
 1000   3HN6  NCO 104          3HN6      NCO 104   8.961  17.762  -0.811
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   6.157 -47.039 -10.011
    2   2H5*    G   1          2H5*        G   1   7.242 -45.646  -9.832
    3    H4*    G   1           H4*        G   1   6.555 -45.511 -12.063
    4    H3*    G   1           H3*        G   1   5.046 -43.648 -10.291
    5    H2*    G   1           H2*        G   1   3.339 -43.201 -11.816
    6   2HO*    G   1          2HO*        G   1   5.255 -43.995 -13.741
    7    H1*    G   1           H1*        G   1   3.068 -45.624 -13.035
    8    H8     G   1           H8         G   1   3.685 -46.379  -9.404
    9    H1     G   1           H1         G   1  -2.308 -44.422 -10.534
   10   1H2     G   1          1H2         G   1  -2.472 -43.640 -12.604
   11   2H2     G   1          2H2         G   1  -1.113 -43.596 -13.704
   12    H5T    G   1           H5T        G   1   5.741 -44.593  -8.685
   13   1H5*    G   2          1H5*        G   2   4.627 -42.033 -13.725
   14   2H5*    G   2          2H5*        G   2   5.184 -40.353 -13.855
   15    H4*    G   2           H4*        G   2   2.837 -40.588 -14.559
   16    H3*    G   2           H3*        G   2   3.413 -38.955 -12.085
   17    H2*    G   2           H2*        G   2   1.144 -38.664 -11.676
   18   2HO*    G   2          2HO*        G   2  -0.409 -38.878 -13.424
   19    H1*    G   2           H1*        G   2   0.190 -41.008 -12.977
   20    H8     G   2           H8         G   2   2.676 -41.794 -10.242
   21    H1     G   2           H1         G   2  -3.291 -40.858  -8.102
   22   1H2     G   2          1H2         G   2  -4.543 -39.997  -9.708
   23   2H2     G   2          2H2         G   2  -3.922 -39.671 -11.310
   24   1H5*    G   3          1H5*        G   3   0.886 -37.376 -14.704
   25   2H5*    G   3          2H5*        G   3   1.165 -35.796 -15.464
   26    H4*    G   3           H4*        G   3  -1.148 -35.860 -14.959
   27    H3*    G   3           H3*        G   3   0.442 -34.209 -13.015
   28    H2*    G   3           H2*        G   3  -1.376 -33.918 -11.577
   29   2HO*    G   3          2HO*        G   3  -3.563 -34.500 -12.385
   30    H1*    G   3           H1*        G   3  -2.616 -36.364 -11.894
   31    H8     G   3           H8         G   3   1.216 -36.447 -11.525
   32    H1     G   3           H1         G   3  -2.021 -36.774  -6.010
   33   1H2     G   3          1H2         G   3  -4.183 -36.453  -6.386
   34   2H2     G   3          2H2         G   3  -4.827 -36.156  -7.984
   35   1H5*    A   4          1H5*        A   4  -3.101 -32.819 -13.569
   36   2H5*    A   4          2H5*        A   4  -3.334 -31.218 -14.299
   37    H4*    A   4           H4*        A   4  -4.892 -31.355 -12.512
   38    H3*    A   4           H3*        A   4  -2.475 -29.690 -11.838
   39    H2*    A   4           H2*        A   4  -3.133 -29.456  -9.617
   40   2HO*    A   4          2HO*        A   4  -5.203 -29.349  -8.991
   41    H1*    A   4           H1*        A   4  -4.485 -31.887  -9.289
   42    H8     A   4           H8         A   4  -0.920 -31.864 -10.779
   43   1H6     A   4          1H6         A   4   0.995 -32.925  -5.008
   44   2H6     A   4          2H6         A   4   1.480 -32.784  -6.682
   45    H2     A   4           H2         A   4  -3.447 -32.237  -4.883
   46   1H5*    U   5          1H5*        U   5  -5.880 -28.068 -10.183
   47   2H5*    U   5          2H5*        U   5  -5.990 -26.301 -10.313
   48    H4*    U   5           H4*        U   5  -6.181 -27.122  -7.974
   49    H3*    U   5           H3*        U   5  -3.955 -25.269  -8.774
   50    H2*    U   5           H2*        U   5  -2.838 -25.506  -6.761
   51   2HO*    U   5          2HO*        U   5  -4.701 -24.842  -5.550
   52    H1*    U   5           H1*        U   5  -3.771 -28.064  -5.999
   53    H3     U   5           H3         U   5   0.635 -28.919  -5.898
   54    H5     U   5           H5         U   5  -0.067 -27.932  -9.935
   55    H6     U   5           H6         U   5  -2.359 -27.402  -9.338
   56   1H5*    A   6          1H5*        A   6  -8.258 -23.632  -4.995
   57   2H5*    A   6          2H5*        A   6  -7.060 -22.322  -4.946
   58    H4*    A   6           H4*        A   6  -7.736 -24.363  -2.831
   59    H3*    A   6           H3*        A   6  -8.339 -21.610  -3.109
   60    H2*    A   6           H2*        A   6  -6.318 -20.721  -2.388
   61   2HO*    A   6          2HO*        A   6  -7.445 -21.771   0.003
   62    H1*    A   6           H1*        A   6  -5.604 -23.110  -0.724
   63    H8     A   6           H8         A   6  -4.207 -21.546  -4.006
   64   1H6     A   6          1H6         A   6   0.969 -20.655  -0.739
   65   2H6     A   6          2H6         A   6   0.222 -20.489  -2.312
   66    H2     A   6           H2         A   6  -2.112 -22.434   2.002
   67   1H5*    U   7          1H5*        U   7 -10.138 -22.200   2.368
   68   2H5*    U   7          2H5*        U   7  -9.778 -20.482   2.102
   69    H4*    U   7           H4*        U   7  -8.899 -21.236   4.260
   70    H3*    U   7           H3*        U   7  -7.399 -19.780   2.448
   71    H2*    U   7           H2*        U   7  -6.048 -21.509   1.617
   72   2HO*    U   7          2HO*        U   7  -4.289 -21.780   3.465
   73    H1*    U   7           H1*        U   7  -5.920 -22.931   4.257
   74    H3     U   7           H3         U   7  -7.089 -26.967   1.750
   75    H5     U   7           H5         U   7  -3.847 -24.849   0.085
   76    H6     U   7           H6         U   7  -4.417 -22.977   1.520
   77   1H5*    G   8          1H5*        G   8  -3.428 -20.355   4.734
   78   2H5*    G   8          2H5*        G   8  -3.721 -18.918   5.735
   79    H4*    G   8           H4*        G   8  -1.476 -18.737   5.004
   80    H3*    G   8           H3*        G   8  -3.388 -16.944   3.567
   81    H2*    G   8           H2*        G   8  -1.917 -16.394   1.868
   82   2HO*    G   8          2HO*        G   8  -0.252 -16.138   3.843
   83    H1*    G   8           H1*        G   8  -0.303 -18.672   1.808
   84    H8     G   8           H8         G   8  -3.618 -20.153   1.530
   85    H1     G   8           H1         G   8  -2.144 -16.903  -3.783
   86   1H2     G   8          1H2         G   8  -0.407 -15.580  -3.405
   87   2H2     G   8          2H2         G   8   0.388 -15.494  -1.852
   88   1H5*    G   9          1H5*        G   9  -3.717 -12.645   3.798
   89   2H5*    G   9          2H5*        G   9  -4.501 -13.541   2.481
   90    H4*    G   9           H4*        G   9  -1.576 -12.808   2.766
   91    H3*    G   9           H3*        G   9  -3.807 -11.903   1.011
   92    H2*    G   9           H2*        G   9  -2.666 -12.205  -1.006
   93   2HO*    G   9          2HO*        G   9  -0.571 -11.878  -1.201
   94    H1*    G   9           H1*        G   9  -1.257 -14.458  -0.483
   95    H8     G   9           H8         G   9  -4.196 -15.605   1.237
   96    H1     G   9           H1         G   9  -5.540 -14.830  -4.975
   97   1H2     G   9          1H2         G   9  -3.962 -13.603  -5.946
   98   2H2     G   9          2H2         G   9  -2.583 -12.977  -5.070
   99   1H5*    A  10          1H5*        A  10  -1.078  -8.907   0.262
  100   2H5*    A  10          2H5*        A  10  -1.605  -7.230   0.507
  101    H4*    A  10           H4*        A  10  -1.076  -7.625  -1.846
  102    H3*    A  10           H3*        A  10  -3.977  -7.141  -1.164
  103    H2*    A  10           H2*        A  10  -4.618  -7.497  -3.381
  104   2HO*    A  10          2HO*        A  10  -3.404  -6.286  -4.645
  105    H1*    A  10           H1*        A  10  -2.702  -9.405  -4.074
  106    H8     A  10           H8         A  10  -4.147 -10.591  -0.858
  107   1H6     A  10          1H6         A  10  -9.069 -12.577  -4.032
  108   2H6     A  10          2H6         A  10  -8.242 -12.617  -2.489
  109    H2     A  10           H2         A  10  -6.615  -9.985  -6.759
  110   1H5*    A  11          1H5*        A  11  -2.498  -4.318  -4.315
  111   2H5*    A  11          2H5*        A  11  -3.255  -2.723  -4.138
  112    H4*    A  11           H4*        A  11  -3.387  -3.708  -6.453
  113    H3*    A  11           H3*        A  11  -5.895  -2.956  -4.944
  114    H2*    A  11           H2*        A  11  -7.227  -3.720  -6.732
  115   2HO*    A  11          2HO*        A  11  -6.005  -4.375  -8.756
  116    H1*    A  11           H1*        A  11  -5.744  -5.941  -7.399
  117    H8     A  11           H8         A  11  -5.879  -5.723  -3.629
  118   1H6     A  11          1H6         A  11 -11.419  -8.441  -3.997
  119   2H6     A  11          2H6         A  11 -10.146  -7.919  -2.918
  120    H2     A  11           H2         A  11 -10.148  -7.318  -8.155
  121   1H5*    G  12          1H5*        G  12  -6.456  -0.285  -8.473
  122   2H5*    G  12          2H5*        G  12  -7.007   1.255  -7.784
  123    H4*    G  12           H4*        G  12  -8.616   0.235  -9.403
  124    H3*    G  12           H3*        G  12  -9.461   0.712  -6.541
  125    H2*    G  12           H2*        G  12 -11.563  -0.239  -6.966
  126   2HO*    G  12          2HO*        G  12 -11.027   0.633  -9.552
  127    H1*    G  12           H1*        G  12 -10.760  -2.193  -8.769
  128    H8     G  12           H8         G  12  -8.421  -2.150  -5.797
  129    H1     G  12           H1         G  12 -13.921  -5.216  -4.652
  130   1H2     G  12          1H2         G  12 -15.352  -4.845  -6.310
  131   2H2     G  12          2H2         G  12 -14.953  -3.844  -7.688
  132   1H5*    A  13          1H5*        A  13 -12.498   1.625  -8.431
  133   2H5*    A  13          2H5*        A  13 -12.872   3.353  -8.592
  134    H4*    A  13           H4*        A  13 -14.961   2.559  -8.081
  135    H3*    A  13           H3*        A  13 -13.621   3.124  -5.436
  136    H2*    A  13           H2*        A  13 -15.400   2.154  -4.265
  137   2HO*    A  13          2HO*        A  13 -16.939   2.414  -6.650
  138    H1*    A  13           H1*        A  13 -16.065   0.157  -6.081
  139    H8     A  13           H8         A  13 -12.351   0.706  -5.147
  140   1H6     A  13          1H6         A  13 -13.256  -3.760  -0.975
  141   2H6     A  13          2H6         A  13 -12.075  -2.706  -1.720
  142    H2     A  13           H2         A  13 -17.217  -2.828  -2.885
  143   1H5*    A  14          1H5*        A  14 -17.946   4.228  -5.282
  144   2H5*    A  14          2H5*        A  14 -17.969   5.862  -4.590
  145    H4*    A  14           H4*        A  14 -19.579   4.407  -3.453
  146    H3*    A  14           H3*        A  14 -17.197   5.340  -1.851
  147    H2*    A  14           H2*        A  14 -17.844   4.052  -0.028
  148   2HO*    A  14          2HO*        A  14 -20.266   3.208  -0.352
  149    H1*    A  14           H1*        A  14 -19.194   2.001  -1.423
  150    H8     A  14           H8         A  14 -15.533   2.951  -2.241
  151   1H6     A  14          1H6         A  14 -13.998  -1.634   1.597
  152   2H6     A  14          2H6         A  14 -13.396  -0.436   0.474
  153    H2     A  14           H2         A  14 -18.468  -1.153   1.734
  154   1H5*    C  15          1H5*        C  15 -21.396   5.799   0.104
  155   2H5*    C  15          2H5*        C  15 -21.330   7.382   0.903
  156    H4*    C  15           H4*        C  15 -22.383   5.778   2.384
  157    H3*    C  15           H3*        C  15 -19.618   6.679   3.201
  158    H2*    C  15           H2*        C  15 -19.652   5.237   5.054
  159   2HO*    C  15          2HO*        C  15 -22.157   4.258   5.046
  160    H1*    C  15           H1*        C  15 -21.038   3.129   3.904
  161   1H4     C  15          1H4         C  15 -14.963   1.299   3.515
  162   2H4     C  15          2H4         C  15 -14.638   2.509   2.295
  163    H5     C  15           H5         C  15 -16.275   4.111   1.558
  164    H6     C  15           H6         C  15 -18.574   4.912   1.841
  165   1H5*    C  16          1H5*        C  16 -21.482   6.792   6.782
  166   2H5*    C  16          2H5*        C  16 -21.152   8.328   7.611
  167    H4*    C  16           H4*        C  16 -20.375   6.496   8.991
  168    H3*    C  16           H3*        C  16 -18.216   8.174   7.714
  169    H2*    C  16           H2*        C  16 -16.548   6.783   8.555
  170   2HO*    C  16          2HO*        C  16 -18.158   6.723  10.672
  171    H1*    C  16           H1*        C  16 -17.977   4.368   8.568
  172   1H4     C  16          1H4         C  16 -13.948   3.719   3.708
  173   2H4     C  16          2H4         C  16 -14.756   4.985   2.809
  174    H5     C  16           H5         C  16 -16.604   6.260   3.692
  175    H6     C  16           H6         C  16 -18.055   6.612   5.636
  176   1H5*    G  17          1H5*        G  17 -17.920   7.537  12.337
  177   2H5*    G  17          2H5*        G  17 -17.561   9.165  12.947
  178    H4*    G  17           H4*        G  17 -16.255   7.575  14.202
  179    H3*    G  17           H3*        G  17 -14.674   9.245  12.246
  180    H2*    G  17           H2*        G  17 -12.699   8.091  12.784
  181   2HO*    G  17          2HO*        G  17 -13.881   7.916  15.205
  182    H1*    G  17           H1*        G  17 -13.776   5.567  13.101
  183    H8     G  17           H8         G  17 -15.196   7.463  10.107
  184    H1     G  17           H1         G  17  -9.742   4.361   8.856
  185   1H2     G  17          1H2         G  17  -8.872   3.561  10.739
  186   2H2     G  17          2H2         G  17  -9.628   3.801  12.299
  187   1H5*    G  18          1H5*        G  18 -12.183   8.712  15.327
  188   2H5*    G  18          2H5*        G  18 -11.741  10.277  16.037
  189    H4*    G  18           H4*        G  18  -9.726   9.005  15.637
  190    H3*    G  18           H3*        G  18 -10.137  11.321  13.737
  191    H2*    G  18           H2*        G  18  -8.212  10.738  12.564
  192   2HO*    G  18          2HO*        G  18  -6.554   9.446  13.551
  193    H1*    G  18           H1*        G  18  -8.251   7.955  13.112
  194    H8     G  18           H8         G  18 -11.415   9.356  11.499
  195    H1     G  18           H1         G  18  -6.826   7.779   7.325
  196   1H2     G  18          1H2         G  18  -4.952   7.289   8.406
  197   2H2     G  18          2H2         G  18  -4.832   7.351  10.150
  198   1H5*    G  19          1H5*        G  19  -6.012  10.853  14.615
  199   2H5*    G  19          2H5*        G  19  -5.518  12.351  15.428
  200    H4*    G  19           H4*        G  19  -3.829  11.818  13.814
  201    H3*    G  19           H3*        G  19  -5.627  14.092  12.968
  202    H2*    G  19           H2*        G  19  -4.586  14.214  10.892
  203   2HO*    G  19          2HO*        G  19  -2.375  12.748  11.093
  204    H1*    G  19           H1*        G  19  -3.762  11.509  10.692
  205    H8     G  19           H8         G  19  -7.467  12.457  11.267
  206    H1     G  19           H1         G  19  -5.803  11.593   5.146
  207   1H2     G  19          1H2         G  19  -3.612  11.268   4.994
  208   2H2     G  19          2H2         G  19  -2.564  11.264   6.395
  209   1H5*    G  20          1H5*        G  20  -4.854  18.330  12.799
  210   2H5*    G  20          2H5*        G  20  -6.162  17.554  11.881
  211    H4*    G  20           H4*        G  20  -3.204  17.621  11.300
  212    H3*    G  20           H3*        G  20  -5.705  18.472   9.884
  213    H2*    G  20           H2*        G  20  -5.010  17.638   7.804
  214   2HO*    G  20          2HO*        G  20  -3.010  18.171   7.369
  215    H1*    G  20           H1*        G  20  -3.826  15.326   8.597
  216    H8     G  20           H8         G  20  -6.555  15.196  10.983
  217    H1     G  20           H1         G  20  -8.870  14.745   5.034
  218   1H2     G  20          1H2         G  20  -7.317  15.302   3.569
  219   2H2     G  20          2H2         G  20  -5.707  15.795   4.044
  220   1H5*    A  21          1H5*        A  21  -6.821  22.352   9.889
  221   2H5*    A  21          2H5*        A  21  -7.216  20.826   9.070
  222    H4*    A  21           H4*        A  21  -7.800  23.212   8.013
  223    H3*    A  21           H3*        A  21  -7.185  20.589   6.765
  224    H2*    A  21           H2*        A  21  -6.530  21.410   4.692
  225   2HO*    A  21          2HO*        A  21  -8.602  22.815   4.834
  226    H1*    A  21           H1*        A  21  -5.432  23.832   5.359
  227    H8     A  21           H8         A  21  -4.411  21.070   7.798
  228   1H6     A  21          1H6         A  21   0.315  19.982   3.979
  229   2H6     A  21          2H6         A  21  -0.395  19.608   5.533
  230    H2     A  21           H2         A  21  -2.416  22.932   1.979
  231   1H5*    A  22          1H5*        A  22  -9.913  19.120   3.400
  232   2H5*    A  22          2H5*        A  22  -8.746  17.923   3.998
  233    H4*    A  22           H4*        A  22  -8.431  20.044   1.965
  234    H3*    A  22           H3*        A  22  -7.270  17.322   2.506
  235    H2*    A  22           H2*        A  22  -5.215  17.874   1.569
  236   2HO*    A  22          2HO*        A  22  -6.526  18.810  -0.326
  237    H1*    A  22           H1*        A  22  -5.156  20.610   2.141
  238    H8     A  22           H8         A  22  -5.795  19.497   5.477
  239   1H6     A  22          1H6         A  22  -0.126  17.078   5.832
  240   2H6     A  22          2H6         A  22  -1.535  17.580   6.739
  241    H2     A  22           H2         A  22  -1.018  17.880   1.499
  242   1H5*    A  23          1H5*        A  23  -7.376  15.769  -2.575
  243   2H5*    A  23          2H5*        A  23  -7.168  14.401  -1.464
  244    H4*    A  23           H4*        A  23  -5.305  15.393  -3.319
  245    H3*    A  23           H3*        A  23  -5.296  13.298  -1.190
  246    H2*    A  23           H2*        A  23  -2.983  13.349  -0.844
  247   2HO*    A  23          2HO*        A  23  -1.782  14.770  -2.564
  248    H1*    A  23           H1*        A  23  -2.481  16.001  -1.106
  249    H8     A  23           H8         A  23  -5.863  15.455   0.574
  250   1H6     A  23          1H6         A  23  -2.774  15.279   5.920
  251   2H6     A  23          2H6         A  23  -4.362  15.340   5.180
  252    H2     A  23           H2         A  23   0.241  15.291   2.572
  253   1H5*    C  24          1H5*        C  24  -3.313  11.171  -3.556
  254   2H5*    C  24          2H5*        C  24  -3.706   9.444  -3.681
  255    H4*    C  24           H4*        C  24  -1.854   9.981  -2.071
  256    H3*    C  24           H3*        C  24  -4.354   8.573  -1.123
  257    H2*    C  24           H2*        C  24  -3.553   8.561   1.076
  258   2HO*    C  24          2HO*        C  24  -1.076   8.597  -0.209
  259    H1*    C  24           H1*        C  24  -2.152  10.982   1.004
  260   1H4     C  24          1H4         C  24  -7.474  12.197   4.278
  261   2H4     C  24          2H4         C  24  -8.407  12.225   2.798
  262    H5     C  24           H5         C  24  -7.469  11.718   0.636
  263    H6     C  24           H6         C  24  -5.439  11.058  -0.569
  264   1H5*    U  25          1H5*        U  25  -1.496   7.059   0.928
  265   2H5*    U  25          2H5*        U  25  -1.278   5.312   0.710
  266    H4*    U  25           H4*        U  25  -1.335   5.767   3.069
  267    H3*    U  25           H3*        U  25  -3.852   4.469   2.012
  268    H2*    U  25           H2*        U  25  -4.838   4.589   4.129
  269   2HO*    U  25          2HO*        U  25  -2.454   5.191   5.483
  270    H1*    U  25           H1*        U  25  -3.517   6.911   5.044
  271    H3     U  25           H3         U  25  -7.861   8.092   5.418
  272    H5     U  25           H5         U  25  -7.222   7.895   1.255
  273    H6     U  25           H6         U  25  -5.002   7.019   1.703
  274   1H5*    U  26          1H5*        U  26  -2.476   2.937   5.321
  275   2H5*    U  26          2H5*        U  26  -1.947   1.246   5.436
  276    H4*    U  26           H4*        U  26  -3.088   1.482   7.430
  277    H3*    U  26           H3*        U  26  -5.107   0.545   5.383
  278    H2*    U  26           H2*        U  26  -6.822   0.746   6.957
  279   2HO*    U  26          2HO*        U  26  -4.800   0.773   8.968
  280    H1*    U  26           H1*        U  26  -5.825   2.943   8.364
  281    H3     U  26           H3         U  26  -9.583   4.808   6.735
  282    H5     U  26           H5         U  26  -7.459   3.740   3.260
  283    H6     U  26           H6         U  26  -5.779   2.717   4.678
  284   1H5*    G  27          1H5*        G  27  -5.599  -1.333   9.007
  285   2H5*    G  27          2H5*        G  27  -6.324  -2.953   8.949
  286    H4*    G  27           H4*        G  27  -7.671  -1.231  10.199
  287    H3*    G  27           H3*        G  27  -8.888  -2.630   7.802
  288    H2*    G  27           H2*        G  27 -10.845  -1.400   8.116
  289   2HO*    G  27          2HO*        G  27 -11.536  -1.612  10.103
  290    H1*    G  27           H1*        G  27  -9.633   0.873   9.328
  291    H8     G  27           H8         G  27  -8.442  -0.167   5.825
  292    H1     G  27           H1         G  27 -13.459   3.811   5.880
  293   1H2     G  27          1H2         G  27 -14.182   4.083   7.965
  294   2H2     G  27          2H2         G  27 -13.428   3.286   9.329
  295   1H5*    G  28          1H5*        G  28 -11.631  -3.734  11.428
  296   2H5*    G  28          2H5*        G  28 -11.591  -5.503  11.294
  297    H4*    G  28           H4*        G  28 -13.861  -5.045  11.603
  298    H3*    G  28           H3*        G  28 -13.268  -5.351   8.664
  299    H2*    G  28           H2*        G  28 -15.466  -4.738   8.086
  300   2HO*    G  28          2HO*        G  28 -16.270  -4.856  10.807
  301    H1*    G  28           H1*        G  28 -15.833  -2.736   9.909
  302    H8     G  28           H8         G  28 -12.306  -3.001   8.383
  303    H1     G  28           H1         G  28 -16.343   0.715   5.086
  304   1H2     G  28          1H2         G  28 -18.376   0.608   5.977
  305   2H2     G  28          2H2         G  28 -18.743  -0.396   7.362
  306   1H5*    U  29          1H5*        U  29 -16.993  -7.087   9.045
  307   2H5*    U  29          2H5*        U  29 -16.961  -8.712   8.329
  308    H4*    U  29           H4*        U  29 -18.768  -7.363   7.365
  309    H3*    U  29           H3*        U  29 -16.479  -8.062   5.517
  310    H2*    U  29           H2*        U  29 -17.487  -6.856   3.790
  311   2HO*    U  29          2HO*        U  29 -19.962  -6.718   5.154
  312    H1*    U  29           H1*        U  29 -18.772  -4.911   5.375
  313    H3     U  29           H3         U  29 -16.150  -2.435   2.645
  314    H5     U  29           H5         U  29 -13.411  -4.389   5.188
  315    H6     U  29           H6         U  29 -15.269  -5.645   6.112
  316   1H5*    U  30          1H5*        U  30 -20.468  -8.791   3.766
  317   2H5*    U  30          2H5*        U  30 -20.416 -10.319   2.866
  318    H4*    U  30           H4*        U  30 -21.426  -8.471   1.558
  319    H3*    U  30           H3*        U  30 -18.825  -9.639   0.535
  320    H2*    U  30           H2*        U  30 -18.938  -8.179  -1.301
  321   2HO*    U  30          2HO*        U  30 -20.774  -7.738  -2.231
  322    H1*    U  30           H1*        U  30 -20.123  -6.021   0.039
  323    H3     U  30           H3         U  30 -16.179  -4.301  -1.337
  324    H5     U  30           H5         U  30 -15.099  -7.010   1.708
  325    H6     U  30           H6         U  30 -17.414  -7.737   1.790
  326   1H5*    C  31          1H5*        C  31 -21.513  -9.541  -2.836
  327   2H5*    C  31          2H5*        C  31 -21.118 -10.924  -3.876
  328    H4*    C  31           H4*        C  31 -20.880  -8.670  -4.974
  329    H3*    C  31           H3*        C  31 -18.464 -10.489  -4.779
  330    H2*    C  31           H2*        C  31 -17.204  -8.875  -5.903
  331   2HO*    C  31          2HO*        C  31 -18.280  -7.180  -7.126
  332    H1*    C  31           H1*        C  31 -18.632  -6.610  -4.975
  333   1H4     C  31          1H4         C  31 -12.974  -6.220  -2.112
  334   2H4     C  31          2H4         C  31 -13.344  -7.606  -1.110
  335    H5     C  31           H5         C  31 -15.374  -8.890  -1.330
  336    H6     C  31           H6         C  31 -17.469  -9.141  -2.578
  337   1H5*    U  32          1H5*        U  32 -18.791  -9.724  -9.167
  338   2H5*    U  32          2H5*        U  32 -18.608 -11.334  -9.893
  339    H4*    U  32           H4*        U  32 -17.034  -9.799 -10.919
  340    H3*    U  32           H3*        U  32 -15.830 -11.902  -9.119
  341    H2*    U  32           H2*        U  32 -13.688 -11.003  -9.417
  342   2HO*    U  32          2HO*        U  32 -13.314  -9.443 -11.158
  343    H1*    U  32           H1*        U  32 -14.382  -8.317  -9.593
  344    H3     U  32           H3         U  32 -12.002  -8.308  -5.775
  345    H5     U  32           H5         U  32 -15.421 -10.555  -4.789
  346    H6     U  32           H6         U  32 -16.108 -10.404  -7.111
  347   1H5*    U  33          1H5*        U  33 -13.804 -11.041 -12.654
  348   2H5*    U  33          2H5*        U  33 -13.249 -12.445 -13.586
  349    H4*    U  33           H4*        U  33 -11.490 -10.714 -13.320
  350    H3*    U  33           H3*        U  33 -11.063 -13.460 -12.163
  351    H2*    U  33           H2*        U  33  -9.114 -12.821 -11.089
  352   2HO*    U  33          2HO*        U  33  -8.152 -10.661 -11.993
  353    H1*    U  33           H1*        U  33  -9.633 -10.043 -10.838
  354    H3     U  33           H3         U  33  -8.676 -11.111  -6.563
  355    H5     U  33           H5         U  33 -12.260 -13.184  -7.333
  356    H6     U  33           H6         U  33 -12.093 -12.486  -9.651
  357   1H5*    C  34          1H5*        C  34  -6.348 -14.850 -13.770
  358   2H5*    C  34          2H5*        C  34  -7.428 -14.698 -12.369
  359    H4*    C  34           H4*        C  34  -5.561 -12.445 -13.081
  360    H3*    C  34           H3*        C  34  -4.752 -15.074 -11.895
  361    H2*    C  34           H2*        C  34  -3.781 -14.134 -10.012
  362   2HO*    C  34          2HO*        C  34  -2.315 -12.731 -10.594
  363    H1*    C  34           H1*        C  34  -5.255 -11.760  -9.805
  364   1H4     C  34          1H4         C  34  -7.155 -15.608  -5.062
  365   2H4     C  34          2H4         C  34  -8.476 -16.136  -6.079
  366    H5     C  34           H5         C  34  -8.697 -15.499  -8.391
  367    H6     C  34           H6         C  34  -7.685 -14.246 -10.234
  368   1H5*    C  35          1H5*        C  35   0.387 -15.302 -12.092
  369   2H5*    C  35          2H5*        C  35  -0.786 -16.200 -11.109
  370    H4*    C  35           H4*        C  35   0.892 -13.811 -10.310
  371    H3*    C  35           H3*        C  35   0.835 -16.705  -9.552
  372    H2*    C  35           H2*        C  35   0.887 -16.306  -7.267
  373   2HO*    C  35          2HO*        C  35   2.759 -14.759  -7.752
  374    H1*    C  35           H1*        C  35  -0.420 -13.854  -7.139
  375   1H4     C  35          1H4         C  35  -4.522 -18.368  -5.183
  376   2H4     C  35          2H4         C  35  -5.175 -18.416  -6.805
  377    H5     C  35           H5         C  35  -4.219 -17.205  -8.651
  378    H6     C  35           H6         C  35  -2.407 -15.714  -9.353
  379   1H5*    U  36          1H5*        U  36   4.586 -18.933  -9.936
  380   2H5*    U  36          2H5*        U  36   3.195 -19.966  -9.550
  381    H4*    U  36           H4*        U  36   4.796 -18.161  -7.761
  382    H3*    U  36           H3*        U  36   3.871 -21.021  -7.710
  383    H2*    U  36           H2*        U  36   3.396 -20.969  -5.437
  384   2HO*    U  36          2HO*        U  36   5.098 -18.697  -5.188
  385    H1*    U  36           H1*        U  36   2.784 -18.245  -5.141
  386    H3     U  36           H3         U  36  -0.699 -20.933  -3.738
  387    H5     U  36           H5         U  36  -1.304 -20.219  -7.849
  388    H6     U  36           H6         U  36   0.921 -19.251  -7.936
  389   1H5*    A  37          1H5*        A  37   7.440 -23.926  -5.545
  390   2H5*    A  37          2H5*        A  37   5.907 -24.410  -6.299
  391    H4*    A  37           H4*        A  37   6.476 -23.800  -3.393
  392    H3*    A  37           H3*        A  37   6.398 -26.238  -4.650
  393    H2*    A  37           H2*        A  37   4.174 -26.284  -5.370
  394   2HO*    A  37          2HO*        A  37   3.884 -27.910  -4.000
  395    H1*    A  37           H1*        A  37   3.047 -24.788  -3.058
  396    H8     A  37           H8         A  37   3.727 -23.761  -6.749
  397   1H6     A  37          1H6         A  37  -2.423 -23.533  -7.265
  398   2H6     A  37          2H6         A  37  -0.900 -23.249  -8.077
  399    H2     A  37           H2         A  37  -1.437 -25.015  -3.137
  400   1H5*    A  38          1H5*        A  38   8.653 -26.370   0.269
  401   2H5*    A  38          2H5*        A  38   8.843 -28.134   0.211
  402    H4*    A  38           H4*        A  38   7.899 -27.364   2.363
  403    H3*    A  38           H3*        A  38   6.305 -29.176   0.581
  404    H2*    A  38           H2*        A  38   4.356 -28.936   1.814
  405   2HO*    A  38          2HO*        A  38   5.255 -27.819   4.123
  406    H1*    A  38           H1*        A  38   4.786 -26.387   2.921
  407    H8     A  38           H8         A  38   5.181 -25.992  -0.750
  408   1H6     A  38          1H6         A  38  -0.978 -25.886  -1.200
  409   2H6     A  38          2H6         A  38   0.530 -25.597  -2.036
  410    H2     A  38           H2         A  38   0.079 -27.258   2.947
  411   1H5*    G  39          1H5*        G  39   5.103 -33.058   2.746
  412   2H5*    G  39          2H5*        G  39   4.307 -32.968   1.162
  413    H4*    G  39           H4*        G  39   3.447 -31.927   3.797
  414    H3*    G  39           H3*        G  39   2.161 -33.129   1.388
  415    H2*    G  39           H2*        G  39   0.314 -31.710   1.374
  416   2HO*    G  39          2HO*        G  39   0.655 -30.470   3.807
  417    H1*    G  39           H1*        G  39   1.419 -29.374   2.240
  418    H8     G  39           H8         G  39   4.087 -30.594   0.001
  419    H1     G  39           H1         G  39  -1.040 -28.658  -3.310
  420   1H2     G  39          1H2         G  39  -2.772 -28.400  -1.945
  421   2H2     G  39          2H2         G  39  -2.667 -28.705  -0.225
  422   1H5*    U  40          1H5*        U  40  -0.898 -33.571   4.032
  423   2H5*    U  40          2H5*        U  40  -1.449 -35.243   4.260
  424    H4*    U  40           H4*        U  40  -3.326 -33.897   3.558
  425    H3*    U  40           H3*        U  40  -2.277 -35.870   1.548
  426    H2*    U  40           H2*        U  40  -3.659 -35.061  -0.158
  427   2HO*    U  40          2HO*        U  40  -5.388 -33.446   0.578
  428    H1*    U  40           H1*        U  40  -3.639 -32.381   0.454
  429    H3     U  40           H3         U  40  -1.355 -32.724  -3.470
  430    H5     U  40           H5         U  40   1.401 -33.938  -0.519
  431    H6     U  40           H6         U  40  -0.400 -33.858   1.104
  432   1H5*    C  41          1H5*        C  41  -6.227 -35.866   1.474
  433   2H5*    C  41          2H5*        C  41  -7.150 -37.367   1.696
  434    H4*    C  41           H4*        C  41  -8.021 -36.291  -0.251
  435    H3*    C  41           H3*        C  41  -6.257 -38.659  -0.871
  436    H2*    C  41           H2*        C  41  -6.426 -38.263  -3.169
  437   2HO*    C  41          2HO*        C  41  -8.213 -36.376  -3.525
  438    H1*    C  41           H1*        C  41  -6.543 -35.488  -3.115
  439   1H4     C  41          1H4         C  41  -0.544 -36.777  -4.773
  440   2H4     C  41          2H4         C  41  -0.170 -37.292  -3.144
  441    H5     C  41           H5         C  41  -1.813 -37.413  -1.390
  442    H6     C  41           H6         C  41  -4.173 -37.086  -0.820
  443   1H5*    C  42          1H5*        C  42  -9.364 -38.280  -3.164
  444   2H5*    C  42          2H5*        C  42 -10.600 -39.550  -3.246
  445    H4*    C  42           H4*        C  42 -10.267 -38.802  -5.478
  446    H3*    C  42           H3*        C  42  -8.913 -41.437  -4.912
  447    H2*    C  42           H2*        C  42  -7.965 -41.478  -7.062
  448   2HO*    C  42          2HO*        C  42  -8.697 -39.952  -8.693
  449    H1*    C  42           H1*        C  42  -7.374 -38.806  -7.303
  450   1H4     C  42          1H4         C  42  -1.918 -41.310  -5.196
  451   2H4     C  42          2H4         C  42  -2.594 -41.511  -3.596
  452    H5     C  42           H5         C  42  -4.884 -41.018  -3.059
  453    H6     C  42           H6         C  42  -7.030 -40.223  -3.934
  454   1H5*    U  43          1H5*        U  43 -10.147 -41.320  -8.599
  455   2H5*    U  43          2H5*        U  43 -11.007 -42.742  -9.219
  456    H4*    U  43           H4*        U  43  -9.016 -42.091 -10.582
  457    H3*    U  43           H3*        U  43  -9.211 -44.800  -9.310
  458    H2*    U  43           H2*        U  43  -6.997 -45.258  -9.618
  459   2HO*    U  43          2HO*        U  43  -6.000 -44.310 -11.674
  460    H1*    U  43           H1*        U  43  -6.219 -42.553 -10.469
  461    H3     U  43           H3         U  43  -2.404 -43.818  -8.427
  462    H5     U  43           H5         U  43  -5.263 -43.828  -5.327
  463    H6     U  43           H6         U  43  -6.973 -43.419  -7.000
  464    H3T    U  43           H3T        U  43 -10.075 -45.149 -11.184
  465   1H5*    G  44          1H5*        G  44  -7.363  47.211   0.730
  466   2H5*    G  44          2H5*        G  44  -8.178  45.634   0.725
  467    H4*    G  44           H4*        G  44  -7.412  45.908  -1.484
  468    H3*    G  44           H3*        G  44  -5.631  44.109   0.130
  469    H2*    G  44           H2*        G  44  -3.976  44.025  -1.526
  470   2HO*    G  44          2HO*        G  44  -6.126  44.621  -3.208
  471    H1*    G  44           H1*        G  44  -4.077  46.606  -2.417
  472    H8     G  44           H8         G  44  -4.524  46.842   1.297
  473    H1     G  44           H1         G  44   1.550  45.664  -0.356
  474   1H2     G  44          1H2         G  44   1.664  45.149  -2.512
  475   2H2     G  44          2H2         G  44   0.251  45.091  -3.541
  476    H5T    G  44           H5T        G  44  -6.364  46.366   2.370
  477   1H5*    G  45          1H5*        G  45  -5.272  42.919  -3.470
  478   2H5*    G  45          2H5*        G  45  -5.603  41.206  -3.795
  479    H4*    G  45           H4*        G  45  -3.384  41.898  -4.628
  480    H3*    G  45           H3*        G  45  -3.517  39.845  -2.420
  481    H2*    G  45           H2*        G  45  -1.204  39.826  -2.208
  482   2HO*    G  45          2HO*        G  45   0.180  40.313  -3.927
  483    H1*    G  45           H1*        G  45  -0.678  42.453  -3.150
  484    H8     G  45           H8         G  45  -3.033  42.532  -0.220
  485    H1     G  45           H1         G  45   3.100  41.847   1.489
  486   1H2     G  45          1H2         G  45   4.333  41.374  -0.291
  487   2H2     G  45          2H2         G  45   3.653  41.241  -1.897
  488   1H5*    G  46          1H5*        G  46  -1.155  38.973  -5.493
  489   2H5*    G  46          2H5*        G  46  -1.233  37.461  -6.422
  490    H4*    G  46           H4*        G  46   1.076  37.905  -6.004
  491    H3*    G  46           H3*        G  46  -0.073  35.718  -4.277
  492    H2*    G  46           H2*        G  46   1.913  35.522  -3.065
  493   2HO*    G  46          2HO*        G  46   3.720  36.990  -4.307
  494    H1*    G  46           H1*        G  46   2.738  38.186  -3.153
  495    H8     G  46           H8         G  46  -0.930  37.650  -2.175
  496    H1     G  46           H1         G  46   3.183  37.349   2.723
  497   1H2     G  46          1H2         G  46   5.273  37.387   1.954
  498   2H2     G  46          2H2         G  46   5.643  37.483   0.249
  499   1H5*    A  47          1H5*        A  47   3.459  34.994  -5.496
  500   2H5*    A  47          2H5*        A  47   3.916  33.570  -6.453
  501    H4*    A  47           H4*        A  47   5.567  33.839  -4.742
  502    H3*    A  47           H3*        A  47   3.646  31.570  -4.266
  503    H2*    A  47           H2*        A  47   4.498  31.160  -2.141
  504   2HO*    A  47          2HO*        A  47   6.611  31.649  -1.559
  505    H1*    A  47           H1*        A  47   5.367  33.756  -1.496
  506    H8     A  47           H8         A  47   1.732  33.304  -2.675
  507   1H6     A  47          1H6         A  47   0.324  32.769   3.313
  508   2H6     A  47          2H6         A  47  -0.316  32.886   1.690
  509    H2     A  47           H2         A  47   4.803  32.913   2.956
  510   1H5*    U  48          1H5*        U  48   7.259  30.123  -3.206
  511   2H5*    U  48          2H5*        U  48   7.556  28.437  -3.675
  512    H4*    U  48           H4*        U  48   7.609  28.786  -1.214
  513    H3*    U  48           H3*        U  48   5.573  26.939  -2.439
  514    H2*    U  48           H2*        U  48   4.447  26.659  -0.434
  515   2HO*    U  48          2HO*        U  48   6.554  27.590   1.175
  516    H1*    U  48           H1*        U  48   5.182  29.086   0.838
  517    H3     U  48           H3         U  48   0.697  29.292   1.190
  518    H5     U  48           H5         U  48   1.377  29.544  -2.963
  519    H6     U  48           H6         U  48   3.731  29.139  -2.534
  520   1H5*    A  49          1H5*        A  49   9.631  22.548  -0.805
  521   2H5*    A  49          2H5*        A  49   7.884  22.281  -0.971
  522    H4*    A  49           H4*        A  49   9.209  23.252   1.579
  523    H3*    A  49           H3*        A  49   9.351  20.605   0.566
  524    H2*    A  49           H2*        A  49   7.202  19.904   1.071
  525   2HO*    A  49          2HO*        A  49   7.937  18.739   2.699
  526    H1*    A  49           H1*        A  49   6.821  21.877   3.291
  527    H8     A  49           H8         A  49   5.299  21.590  -0.275
  528   1H6     A  49          1H6         A  49  -0.019  20.448   2.671
  529   2H6     A  49          2H6         A  49   0.732  20.683   1.110
  530    H2     A  49           H2         A  49   3.227  20.807   5.754
  531   1H5*    U  50          1H5*        U  50  10.963  20.202   5.839
  532   2H5*    U  50          2H5*        U  50  10.764  18.442   5.713
  533    H4*    U  50           H4*        U  50   9.686  18.976   7.721
  534    H3*    U  50           H3*        U  50   8.029  18.058   5.661
  535    H2*    U  50           H2*        U  50   6.911  20.069   5.216
  536   2HO*    U  50          2HO*        U  50   5.567  19.633   7.658
  537    H1*    U  50           H1*        U  50   7.076  20.949   8.088
  538    H3     U  50           H3         U  50   8.594  25.238   6.234
  539    H5     U  50           H5         U  50   4.930  23.898   4.636
  540    H6     U  50           H6         U  50   5.367  21.724   5.627
  541   1H5*    G  51          1H5*        G  51   4.131  18.653   8.014
  542   2H5*    G  51          2H5*        G  51   4.175  17.002   8.661
  543    H4*    G  51           H4*        G  51   1.974  17.349   7.808
  544    H3*    G  51           H3*        G  51   3.713  15.606   6.085
  545    H2*    G  51           H2*        G  51   2.175  15.560   4.343
  546   2HO*    G  51          2HO*        G  51   0.464  15.202   6.214
  547    H1*    G  51           H1*        G  51   1.002  18.065   4.669
  548    H8     G  51           H8         G  51   4.686  18.596   4.717
  549    H1     G  51           H1         G  51   2.499  17.431  -1.183
  550   1H2     G  51          1H2         G  51   0.403  16.716  -1.084
  551   2H2     G  51          2H2         G  51  -0.454  16.526   0.425
  552   1H5*    G  52          1H5*        G  52   2.454  11.632   4.980
  553   2H5*    G  52          2H5*        G  52   3.343  12.750   3.926
  554    H4*    G  52           H4*        G  52   0.459  11.849   3.660
  555    H3*    G  52           H3*        G  52   2.980  11.260   2.146
  556    H2*    G  52           H2*        G  52   1.980  11.578   0.051
  557   2HO*    G  52          2HO*        G  52   0.040  10.300   0.910
  558    H1*    G  52           H1*        G  52   0.334  13.679   0.628
  559    H8     G  52           H8         G  52   3.275  14.725   2.543
  560    H1     G  52           H1         G  52   4.439  15.006  -3.746
  561   1H2     G  52          1H2         G  52   2.865  13.903  -4.860
  562   2H2     G  52          2H2         G  52   1.533  13.101  -4.055
  563   1H5*    A  53          1H5*        A  53   0.444   8.130   0.863
  564   2H5*    A  53          2H5*        A  53   1.266   6.584   0.566
  565    H4*    A  53           H4*        A  53   0.374   7.792  -1.487
  566    H3*    A  53           H3*        A  53   3.260   6.940  -1.239
  567    H2*    A  53           H2*        A  53   3.784   7.944  -3.281
  568   2HO*    A  53          2HO*        A  53   2.494   7.508  -4.871
  569    H1*    A  53           H1*        A  53   1.925  10.041  -3.203
  570    H8     A  53           H8         A  53   3.724  10.247   0.026
  571   1H6     A  53          1H6         A  53   8.450  12.869  -2.962
  572   2H6     A  53          2H6         A  53   7.754  12.524  -1.395
  573    H2     A  53           H2         A  53   5.646  11.168  -6.035
  574   1H5*    A  54          1H5*        A  54   1.733   4.808  -4.904
  575   2H5*    A  54          2H5*        A  54   2.500   3.209  -4.962
  576    H4*    A  54           H4*        A  54   2.862   4.645  -7.005
  577    H3*    A  54           H3*        A  54   5.189   3.565  -5.413
  578    H2*    A  54           H2*        A  54   6.714   4.679  -6.805
  579   2HO*    A  54          2HO*        A  54   6.167   4.246  -8.833
  580    H1*    A  54           H1*        A  54   5.236   6.972  -7.274
  581    H8     A  54           H8         A  54   5.017   6.180  -3.596
  582   1H6     A  54          1H6         A  54  10.490   9.008  -2.981
  583   2H6     A  54          2H6         A  54   9.122   8.327  -2.128
  584    H2     A  54           H2         A  54   9.704   8.434  -7.367
  585   1H5*    G  55          1H5*        G  55   6.139   1.747  -9.322
  586   2H5*    G  55          2H5*        G  55   6.692   0.096  -8.975
  587    H4*    G  55           H4*        G  55   8.425   1.451 -10.112
  588    H3*    G  55           H3*        G  55   8.993   0.540  -7.280
  589    H2*    G  55           H2*        G  55  11.087   1.604  -7.370
  590   2HO*    G  55          2HO*        G  55  10.757   1.611 -10.204
  591    H1*    G  55           H1*        G  55  10.327   3.764  -8.965
  592    H8     G  55           H8         G  55   7.966   3.071  -6.040
  593    H1     G  55           H1         G  55  13.116   6.539  -4.505
  594   1H2     G  55          1H2         G  55  14.527   6.598  -6.224
  595   2H2     G  55          2H2         G  55  14.196   5.782  -7.734
  596   1H5*    A  56          1H5*        A  56  12.239  -0.387  -9.597
  597   2H5*    A  56          2H5*        A  56  12.818  -2.056  -9.421
  598    H4*    A  56           H4*        A  56  14.678  -0.519  -9.161
  599    H3*    A  56           H3*        A  56  13.791  -1.939  -6.649
  600    H2*    A  56           H2*        A  56  15.320  -0.739  -5.367
  601   2HO*    A  56          2HO*        A  56  16.976   0.478  -6.992
  602    H1*    A  56           H1*        A  56  15.425   1.610  -6.934
  603    H8     A  56           H8         A  56  11.974   0.406  -5.753
  604   1H6     A  56          1H6         A  56  12.828   4.164  -0.926
  605   2H6     A  56          2H6         A  56  11.688   3.135  -1.761
  606    H2     A  56           H2         A  56  16.664   4.023  -3.267
  607   1H5*    A  57          1H5*        A  57  18.095  -2.472  -6.998
  608   2H5*    A  57          2H5*        A  57  18.511  -4.163  -6.652
  609    H4*    A  57           H4*        A  57  19.868  -2.682  -5.281
  610    H3*    A  57           H3*        A  57  17.760  -4.259  -3.793
  611    H2*    A  57           H2*        A  57  18.377  -3.225  -1.796
  612   2HO*    A  57          2HO*        A  57  20.409  -2.958  -1.323
  613    H1*    A  57           H1*        A  57  19.221  -0.759  -2.873
  614    H8     A  57           H8         A  57  15.717  -2.129  -3.734
  615   1H6     A  57          1H6         A  57  13.730   1.281   1.019
  616   2H6     A  57          2H6         A  57  13.250   0.264  -0.320
  617    H2     A  57           H2         A  57  18.220   1.482   0.954
  618   1H5*    C  58          1H5*        C  58  21.863  -4.854  -1.846
  619   2H5*    C  58          2H5*        C  58  21.881  -6.558  -1.354
  620    H4*    C  58           H4*        C  58  22.559  -5.117   0.500
  621    H3*    C  58           H3*        C  58  19.874  -6.480   0.831
  622    H2*    C  58           H2*        C  58  19.670  -5.482   2.955
  623   2HO*    C  58          2HO*        C  58  22.172  -4.352   3.150
  624    H1*    C  58           H1*        C  58  20.887  -3.053   2.325
  625   1H4     C  58          1H4         C  58  14.658  -1.774   2.188
  626   2H4     C  58          2H4         C  58  14.460  -2.718   0.729
  627    H5     C  58           H5         C  58  16.257  -3.941  -0.307
  628    H6     C  58           H6         C  58  18.620  -4.574  -0.132
  629   1H5*    C  59          1H5*        C  59  21.721  -7.149   4.323
  630   2H5*    C  59          2H5*        C  59  21.344  -8.731   5.036
  631    H4*    C  59           H4*        C  59  20.533  -6.878   6.445
  632    H3*    C  59           H3*        C  59  18.441  -8.647   5.158
  633    H2*    C  59           H2*        C  59  16.755  -7.368   6.147
  634   2HO*    C  59          2HO*        C  59  18.434  -5.960   7.886
  635    H1*    C  59           H1*        C  59  18.122  -4.904   6.164
  636   1H4     C  59          1H4         C  59  13.647  -4.210   1.713
  637   2H4     C  59          2H4         C  59  14.458  -5.349   0.659
  638    H5     C  59           H5         C  59  16.441  -6.568   1.307
  639    H6     C  59           H6         C  59  18.067  -6.954   3.102
  640   1H5*    G  60          1H5*        G  60  18.195  -8.459   9.682
  641   2H5*    G  60          2H5*        G  60  18.036 -10.129  10.259
  642    H4*    G  60           H4*        G  60  16.566  -8.771  11.575
  643    H3*    G  60           H3*        G  60  15.108 -10.426   9.508
  644    H2*    G  60           H2*        G  60  13.067  -9.484  10.167
  645   2HO*    G  60          2HO*        G  60  13.176  -8.132  12.246
  646    H1*    G  60           H1*        G  60  14.001  -6.934  10.815
  647    H8     G  60           H8         G  60  15.264  -8.214   7.463
  648    H1     G  60           H1         G  60   9.466  -5.518   7.162
  649   1H2     G  60          1H2         G  60   8.706  -5.126   9.214
  650   2H2     G  60          2H2         G  60   9.621  -5.530  10.649
  651   1H5*    G  61          1H5*        G  61  12.810 -10.028  12.898
  652   2H5*    G  61          2H5*        G  61  12.542 -11.639  13.591
  653    H4*    G  61           H4*        G  61  10.443 -10.470  13.602
  654    H3*    G  61           H3*        G  61  10.628 -12.603  11.467
  655    H2*    G  61           H2*        G  61   8.510 -12.032  10.674
  656   2HO*    G  61          2HO*        G  61   7.370 -10.428  12.378
  657    H1*    G  61           H1*        G  61   8.553  -9.296  11.366
  658    H8     G  61           H8         G  61  11.471 -10.668   9.275
  659    H1     G  61           H1         G  61   6.523  -8.528   5.829
  660   1H2     G  61          1H2         G  61   4.820  -8.038   7.165
  661   2H2     G  61          2H2         G  61   4.901  -8.238   8.900
  662   1H5*    G  62          1H5*        G  62   6.760 -12.502  12.832
  663   2H5*    G  62          2H5*        G  62   6.377 -14.079  13.552
  664    H4*    G  62           H4*        G  62   4.557 -13.497  12.112
  665    H3*    G  62           H3*        G  62   6.375 -15.607  10.950
  666    H2*    G  62           H2*        G  62   5.210 -15.590   8.937
  667   2HO*    G  62          2HO*        G  62   2.993 -14.680   8.905
  668    H1*    G  62           H1*        G  62   4.258 -12.919   9.033
  669    H8     G  62           H8         G  62   8.032 -13.674   9.312
  670    H1     G  62           H1         G  62   5.960 -12.556   3.360
  671   1H2     G  62          1H2         G  62   3.748 -12.375   3.346
  672   2H2     G  62          2H2         G  62   2.783 -12.528   4.798
  673   1H5*    G  63          1H5*        G  63   5.288 -19.801  10.406
  674   2H5*    G  63          2H5*        G  63   6.691 -19.203   9.496
  675    H4*    G  63           H4*        G  63   3.767 -19.021   8.849
  676    H3*    G  63           H3*        G  63   6.266 -19.902   7.445
  677    H2*    G  63           H2*        G  63   5.647 -18.946   5.398
  678   2HO*    G  63          2HO*        G  63   3.033 -19.098   6.464
  679    H1*    G  63           H1*        G  63   4.455 -16.655   6.279
  680    H8     G  63           H8         G  63   7.318 -16.947   8.611
  681    H1     G  63           H1         G  63   9.262 -15.389   2.716
  682   1H2     G  63          1H2         G  63   7.604 -15.640   1.278
  683   2H2     G  63          2H2         G  63   6.016 -16.193   1.758
  684   1H5*    A  64          1H5*        A  64   7.317 -23.604   6.679
  685   2H5*    A  64          2H5*        A  64   7.907 -22.021   6.134
  686    H4*    A  64           H4*        A  64   8.345 -24.149   4.675
  687    H3*    A  64           H3*        A  64   7.625 -21.393   3.791
  688    H2*    A  64           H2*        A  64   6.997 -21.999   1.630
  689   2HO*    A  64          2HO*        A  64   8.033 -23.491   0.538
  690    H1*    A  64           H1*        A  64   5.892 -24.462   2.065
  691    H8     A  64           H8         A  64   4.909 -22.073   4.858
  692   1H6     A  64          1H6         A  64   0.185 -20.376   1.275
  693   2H6     A  64          2H6         A  64   0.901 -20.258   2.868
  694    H2     A  64           H2         A  64   2.898 -22.987  -1.176
  695   1H5*    A  65          1H5*        A  65  10.210 -19.119   0.963
  696   2H5*    A  65          2H5*        A  65   8.725 -18.321   1.522
  697    H4*    A  65           H4*        A  65   9.199 -20.058  -0.842
  698    H3*    A  65           H3*        A  65   7.658 -17.584  -0.216
  699    H2*    A  65           H2*        A  65   5.730 -18.192  -1.368
  700   2HO*    A  65          2HO*        A  65   7.555 -19.569  -2.937
  701    H1*    A  65           H1*        A  65   5.675 -20.886  -0.973
  702    H8     A  65           H8         A  65   6.638 -19.983   2.413
  703   1H6     A  65          1H6         A  65   0.917 -17.883   3.409
  704   2H6     A  65          2H6         A  65   2.419 -18.377   4.158
  705    H2     A  65           H2         A  65   1.462 -18.360  -1.028
  706   1H5*    A  66          1H5*        A  66   7.736 -15.535  -5.064
  707   2H5*    A  66          2H5*        A  66   7.521 -14.303  -3.804
  708    H4*    A  66           H4*        A  66   5.630 -15.139  -5.695
  709    H3*    A  66           H3*        A  66   5.608 -13.344  -3.306
  710    H2*    A  66           H2*        A  66   3.299 -13.525  -2.939
  711   2HO*    A  66          2HO*        A  66   2.768 -13.148  -5.183
  712    H1*    A  66           H1*        A  66   2.911 -16.143  -3.495
  713    H8     A  66           H8         A  66   6.324 -15.700  -1.862
  714   1H6     A  66          1H6         A  66   3.383 -16.138   3.557
  715   2H6     A  66          2H6         A  66   4.950 -16.099   2.775
  716    H2     A  66           H2         A  66   0.278 -15.842   0.306
  717   1H5*    C  67          1H5*        C  67   3.110 -11.355  -5.131
  718   2H5*    C  67          2H5*        C  67   3.174  -9.585  -5.013
  719    H4*    C  67           H4*        C  67   1.466 -10.670  -3.524
  720    H3*    C  67           H3*        C  67   3.659  -8.946  -2.370
  721    H2*    C  67           H2*        C  67   2.930  -9.386  -0.190
  722   2HO*    C  67          2HO*        C  67   0.829 -10.132   0.261
  723    H1*    C  67           H1*        C  67   2.041 -12.002  -0.568
  724   1H4     C  67          1H4         C  67   7.665 -12.529   2.378
  725   2H4     C  67          2H4         C  67   8.501 -12.240   0.869
  726    H5     C  67           H5         C  67   7.368 -11.688  -1.184
  727    H6     C  67           H6         C  67   5.190 -11.290  -2.234
  728   1H5*    U  68          1H5*        U  68   0.925  -8.023  -0.161
  729   2H5*    U  68          2H5*        U  68   0.269  -6.382  -0.326
  730    H4*    U  68           H4*        U  68   0.604  -6.575   1.972
  731    H3*    U  68           H3*        U  68   3.048  -5.270   0.759
  732    H2*    U  68           H2*        U  68   4.091  -5.249   2.864
  733   2HO*    U  68          2HO*        U  68   1.558  -5.761   4.062
  734    H1*    U  68           H1*        U  68   2.998  -7.624   3.858
  735    H3     U  68           H3         U  68   7.381  -8.677   3.810
  736    H5     U  68           H5         U  68   6.404  -8.332  -0.275
  737    H6     U  68           H6         U  68   4.194  -7.577   0.383
  738   1H5*    U  69          1H5*        U  69   1.723  -3.669   4.122
  739   2H5*    U  69          2H5*        U  69   1.589  -1.914   4.349
  740    H4*    U  69           H4*        U  69   2.786  -2.806   6.228
  741    H3*    U  69           H3*        U  69   4.624  -1.417   4.257
  742    H2*    U  69           H2*        U  69   6.425  -1.889   5.680
  743   2HO*    U  69          2HO*        U  69   4.477  -2.291   7.717
  744    H1*    U  69           H1*        U  69   5.469  -4.344   6.654
  745    H3     U  69           H3         U  69   9.306  -5.665   4.703
  746    H5     U  69           H5         U  69   7.027  -4.219   1.474
  747    H6     U  69           H6         U  69   5.339  -3.510   3.064
  748   1H5*    G  70          1H5*        G  70   5.307  -0.495   7.912
  749   2H5*    G  70          2H5*        G  70   5.799   1.134   8.415
  750    H4*    G  70           H4*        G  70   7.464  -0.512   9.101
  751    H3*    G  70           H3*        G  70   8.346   1.360   6.886
  752    H2*    G  70           H2*        G  70  10.413   0.285   6.846
  753   2HO*    G  70          2HO*        G  70  10.234   0.464   9.410
  754    H1*    G  70           H1*        G  70   9.494  -2.242   7.808
  755    H8     G  70           H8         G  70   7.989  -0.906   4.537
  756    H1     G  70           H1         G  70  13.334  -4.369   3.837
  757   1H2     G  70          1H2         G  70  14.223  -4.789   5.829
  758   2H2     G  70          2H2         G  70  13.500  -4.221   7.317
  759   1H5*    G  71          1H5*        G  71  11.209   1.661  10.685
  760   2H5*    G  71          2H5*        G  71  11.030   3.410  10.945
  761    H4*    G  71           H4*        G  71  13.290   3.193  11.286
  762    H3*    G  71           H3*        G  71  12.874   3.723   8.355
  763    H2*    G  71           H2*        G  71  15.129   3.289   7.849
  764   2HO*    G  71          2HO*        G  71  16.251   2.855  10.247
  765    H1*    G  71           H1*        G  71  15.533   1.144   9.473
  766    H8     G  71           H8         G  71  12.003   1.225   7.995
  767    H1     G  71           H1         G  71  16.361  -1.472   4.156
  768   1H2     G  71          1H2         G  71  18.384  -1.269   5.049
  769   2H2     G  71          2H2         G  71  18.665  -0.439   6.563
  770   1H5*    U  72          1H5*        U  72  16.300   6.125   9.178
  771   2H5*    U  72          2H5*        U  72  15.989   7.752   8.543
  772    H4*    U  72           H4*        U  72  18.082   6.811   7.649
  773    H3*    U  72           H3*        U  72  15.826   7.253   5.680
  774    H2*    U  72           H2*        U  72  17.198   6.453   3.949
  775   2HO*    U  72          2HO*        U  72  19.453   6.332   4.141
  776    H1*    U  72           H1*        U  72  18.554   4.512   5.417
  777    H3     U  72           H3         U  72  16.253   2.221   2.231
  778    H5     U  72           H5         U  72  13.323   3.348   5.045
  779    H6     U  72           H6         U  72  15.010   4.678   6.173
  780   1H5*    U  73          1H5*        U  73  19.406   8.420   4.248
  781   2H5*    U  73          2H5*        U  73  19.498  10.140   3.826
  782    H4*    U  73           H4*        U  73  20.634   8.912   2.113
  783    H3*    U  73           H3*        U  73  17.907   9.901   1.242
  784    H2*    U  73           H2*        U  73  18.266   8.945  -0.887
  785   2HO*    U  73          2HO*        U  73  20.997   8.719  -0.104
  786    H1*    U  73           H1*        U  73  19.468   6.623  -0.029
  787    H3     U  73           H3         U  73  15.425   5.219  -1.523
  788    H5     U  73           H5         U  73  14.583   7.038   2.185
  789    H6     U  73           H6         U  73  16.887   7.799   2.258
  790   1H5*    C  74          1H5*        C  74  20.510  10.860  -2.009
  791   2H5*    C  74          2H5*        C  74  19.931  12.372  -2.737
  792    H4*    C  74           H4*        C  74  19.934  10.394  -4.286
  793    H3*    C  74           H3*        C  74  17.271  11.738  -3.706
  794    H2*    C  74           H2*        C  74  16.310  10.281  -5.296
  795   2HO*    C  74          2HO*        C  74  17.376   9.517  -6.979
  796    H1*    C  74           H1*        C  74  17.891   8.061  -4.665
  797   1H4     C  74          1H4         C  74  12.293   6.916  -1.857
  798   2H4     C  74          2H4         C  74  12.644   8.098  -0.616
  799    H5     C  74           H5         C  74  14.598   9.501  -0.643
  800    H6     C  74           H6         C  74  16.657  10.060  -1.849
  801   1H5*    U  75          1H5*        U  75  18.095  12.357  -7.644
  802   2H5*    U  75          2H5*        U  75  17.370  13.686  -8.571
  803    H4*    U  75           H4*        U  75  16.415  11.451  -9.125
  804    H3*    U  75           H3*        U  75  14.589  13.553  -7.925
  805    H2*    U  75           H2*        U  75  12.812  12.042  -8.036
  806   2HO*    U  75          2HO*        U  75  14.246  11.069 -10.228
  807    H1*    U  75           H1*        U  75  14.358   9.664  -7.793
  808    H3     U  75           H3         U  75  11.154   9.358  -4.586
  809    H5     U  75           H5         U  75  13.951  12.100  -3.048
  810    H6     U  75           H6         U  75  15.055  12.086  -5.212
  811   1H5*    U  76          1H5*        U  76  12.882  12.648 -11.829
  812   2H5*    U  76          2H5*        U  76  12.272  14.129 -12.595
  813    H4*    U  76           H4*        U  76  10.514  12.411 -12.389
  814    H3*    U  76           H3*        U  76  10.208  14.987 -10.855
  815    H2*    U  76           H2*        U  76   8.297  14.216  -9.786
  816   2HO*    U  76          2HO*        U  76   7.922  12.950 -12.221
  817    H1*    U  76           H1*        U  76   8.824  11.426  -9.950
  818    H3     U  76           H3         U  76   8.037  11.869  -5.541
  819    H5     U  76           H5         U  76  11.575  14.074  -6.139
  820    H6     U  76           H6         U  76  11.332  13.695  -8.523
  821   1H5*    C  77          1H5*        C  77   5.725  16.424 -12.860
  822   2H5*    C  77          2H5*        C  77   5.912  17.117 -11.237
  823    H4*    C  77           H4*        C  77   4.414  14.686 -12.129
  824    H3*    C  77           H3*        C  77   3.921  17.026 -10.311
  825    H2*    C  77           H2*        C  77   2.763  15.752  -8.748
  826   2HO*    C  77          2HO*        C  77   2.321  13.869 -10.841
  827    H1*    C  77           H1*        C  77   4.022  13.282  -9.109
  828   1H4     C  77          1H4         C  77   6.164  15.788  -3.629
  829   2H4     C  77          2H4         C  77   7.527  16.447  -4.503
  830    H5     C  77           H5         C  77   7.725  16.350  -6.900
  831    H6     C  77           H6         C  77   6.663  15.596  -8.974
  832   1H5*    C  78          1H5*        C  78  -0.118  18.333  -9.359
  833   2H5*    C  78          2H5*        C  78   1.425  18.133  -8.504
  834    H4*    C  78           H4*        C  78  -0.981  16.330  -8.093
  835    H3*    C  78           H3*        C  78  -0.281  18.930  -6.781
  836    H2*    C  78           H2*        C  78  -0.399  18.085  -4.625
  837   2HO*    C  78          2HO*        C  78  -1.849  15.798  -5.451
  838    H1*    C  78           H1*        C  78   0.285  15.414  -5.087
  839   1H4     C  78          1H4         C  78   5.273  18.282  -2.283
  840   2H4     C  78          2H4         C  78   5.980  18.496  -3.868
  841    H5     C  78           H5         C  78   4.815  17.988  -5.912
  842    H6     C  78           H6         C  78   2.722  17.161  -6.883
  843   1H5*    U  79          1H5*        U  79  -4.124  21.439  -6.322
  844   2H5*    U  79          2H5*        U  79  -2.772  22.472  -5.816
  845    H4*    U  79           H4*        U  79  -4.341  20.479  -4.275
  846    H3*    U  79           H3*        U  79  -3.004  23.118  -3.742
  847    H2*    U  79           H2*        U  79  -2.416  22.538  -1.575
  848   2HO*    U  79          2HO*        U  79  -4.142  21.953  -0.506
  849    H1*    U  79           H1*        U  79  -2.263  19.737  -1.861
  850    H3     U  79           H3         U  79   1.686  21.450  -0.163
  851    H5     U  79           H5         U  79   2.013  21.583  -4.362
  852    H6     U  79           H6         U  79  -0.348  21.042  -4.498
  853   1H5*    A  80          1H5*        A  80  -6.155  25.648  -0.823
  854   2H5*    A  80          2H5*        A  80  -4.817  26.599  -1.500
  855    H4*    A  80           H4*        A  80  -5.071  25.262   1.147
  856    H3*    A  80           H3*        A  80  -4.727  27.893   0.391
  857    H2*    A  80           H2*        A  80  -2.524  27.788  -0.403
  858   2HO*    A  80          2HO*        A  80  -2.449  28.056   2.397
  859    H1*    A  80           H1*        A  80  -1.653  25.732   1.589
  860    H8     A  80           H8         A  80  -2.133  25.980  -2.280
  861   1H6     A  80          1H6         A  80   3.856  24.486  -2.559
  862   2H6     A  80          2H6         A  80   2.425  24.872  -3.489
  863    H2     A  80           H2         A  80   2.679  24.686   1.775
  864   1H5*    A  81          1H5*        A  81  -7.235  26.820   5.538
  865   2H5*    A  81          2H5*        A  81  -6.115  28.198   5.524
  866    H4*    A  81           H4*        A  81  -6.364  26.450   7.592
  867    H3*    A  81           H3*        A  81  -4.149  28.256   6.715
  868    H2*    A  81           H2*        A  81  -2.497  27.154   7.920
  869   2HO*    A  81          2HO*        A  81  -2.906  26.689   9.919
  870    H1*    A  81           H1*        A  81  -3.460  24.559   7.878
  871    H8     A  81           H8         A  81  -3.732  25.814   4.362
  872   1H6     A  81          1H6         A  81   2.286  24.568   3.730
  873   2H6     A  81          2H6         A  81   0.812  24.997   2.892
  874    H2     A  81           H2         A  81   1.259  24.256   8.093
  875   1H5*    G  82          1H5*        G  82  -2.725  30.361  11.342
  876   2H5*    G  82          2H5*        G  82  -2.208  31.057   9.793
  877    H4*    G  82           H4*        G  82  -0.814  29.187  11.605
  878    H3*    G  82           H3*        G  82  -0.056  31.339   9.654
  879    H2*    G  82           H2*        G  82   1.927  30.286   9.032
  880   2HO*    G  82          2HO*        G  82   3.088  29.038  10.366
  881    H1*    G  82           H1*        G  82   1.160  27.643   9.223
  882    H8     G  82           H8         G  82  -1.706  29.153   7.457
  883    H1     G  82           H1         G  82   3.455  28.813   3.686
  884   1H2     G  82          1H2         G  82   5.256  28.371   4.899
  885   2H2     G  82          2H2         G  82   5.191  28.160   6.636
  886   1H5*    U  83          1H5*        U  83   3.313  31.330  11.878
  887   2H5*    U  83          2H5*        U  83   3.603  32.859  12.732
  888    H4*    U  83           H4*        U  83   5.586  32.385  11.506
  889    H3*    U  83           H3*        U  83   3.886  34.554  10.316
  890    H2*    U  83           H2*        U  83   5.136  34.663   8.347
  891   2HO*    U  83          2HO*        U  83   7.260  34.148   8.232
  892    H1*    U  83           H1*        U  83   5.833  32.010   8.068
  893    H3     U  83           H3         U  83   3.057  32.696   4.559
  894    H5     U  83           H5         U  83   0.486  32.564   7.896
  895    H6     U  83           H6         U  83   2.447  32.500   9.324
  896   1H5*    C  84          1H5*        C  84   7.601  35.276   9.614
  897   2H5*    C  84          2H5*        C  84   8.329  36.820  10.104
  898    H4*    C  84           H4*        C  84   8.871  36.414   7.788
  899    H3*    C  84           H3*        C  84   6.834  38.588   8.265
  900    H2*    C  84           H2*        C  84   6.514  38.878   5.973
  901   2HO*    C  84          2HO*        C  84   8.772  37.377   5.229
  902    H1*    C  84           H1*        C  84   7.003  36.245   5.142
  903   1H4     C  84          1H4         C  84   0.705  36.903   4.628
  904   2H4     C  84          2H4         C  84   0.530  36.939   6.369
  905    H5     C  84           H5         C  84   2.401  36.891   7.886
  906    H6     C  84           H6         C  84   4.845  36.813   8.062
  907   1H5*    C  85          1H5*        C  85   9.743  39.142   5.612
  908   2H5*    C  85          2H5*        C  85  10.861  40.519   5.697
  909    H4*    C  85           H4*        C  85  10.404  40.217   3.394
  910    H3*    C  85           H3*        C  85   8.776  42.481   4.560
  911    H2*    C  85           H2*        C  85   7.717  42.821   2.486
  912   2HO*    C  85          2HO*        C  85   8.581  41.545   0.604
  913    H1*    C  85           H1*        C  85   7.449  40.181   1.752
  914   1H4     C  85          1H4         C  85   1.851  41.630   4.413
  915   2H4     C  85          2H4         C  85   2.574  41.642   6.003
  916    H5     C  85           H5         C  85   4.921  41.299   6.390
  917    H6     C  85           H6         C  85   7.097  40.904   5.332
  918   1H5*    U  86          1H5*        U  86   9.799  43.235   0.876
  919   2H5*    U  86          2H5*        U  86  10.458  44.846   0.529
  920    H4*    U  86           H4*        U  86   8.516  44.226  -0.910
  921    H3*    U  86           H3*        U  86   8.343  46.625   0.899
  922    H2*    U  86           H2*        U  86   6.102  46.881   0.497
  923   2HO*    U  86          2HO*        U  86   5.576  45.760  -1.833
  924    H1*    U  86           H1*        U  86   5.662  44.242  -0.667
  925    H3     U  86           H3         U  86   1.845  44.861   1.676
  926    H5     U  86           H5         U  86   4.839  44.581   4.634
  927    H6     U  86           H6         U  86   6.494  44.596   2.859
  928    H3T    U  86           H3T        U  86   8.718  47.658  -1.000
  929   1HN1  NCO 101          1HN1      NCO 101 -11.411   9.764   7.325
  930   2HN1  NCO 101          2HN1      NCO 101 -11.431   8.513   6.268
  931   3HN1  NCO 101          3HN1      NCO 101 -10.370   9.742   6.060
  932   1HN2  NCO 101          1HN2      NCO 101 -11.376   9.090   3.590
  933   2HN2  NCO 101          2HN2      NCO 101 -12.884   9.385   3.026
  934   3HN2  NCO 101          3HN2      NCO 101 -12.647   8.227   4.158
  935   1HN3  NCO 101          1HN3      NCO 101 -10.479  10.975   4.099
  936   2HN3  NCO 101          2HN3      NCO 101 -10.761  12.109   5.243
  937   3HN3  NCO 101          3HN3      NCO 101 -11.549  12.180   3.809
  938   1HN4  NCO 101          1HN4      NCO 101 -13.858  11.968   6.790
  939   2HN4  NCO 101          2HN4      NCO 101 -12.394  12.618   6.455
  940   3HN4  NCO 101          3HN4      NCO 101 -12.520  11.402   7.545
  941   1HN5  NCO 101          1HN5      NCO 101 -13.902   9.273   7.017
  942   2HN5  NCO 101          2HN5      NCO 101 -14.016   8.437   5.613
  943   3HN5  NCO 101          3HN5      NCO 101 -14.934   9.774   5.850
  944   1HN6  NCO 101          1HN6      NCO 101 -13.691  12.374   4.075
  945   2HN6  NCO 101          2HN6      NCO 101 -14.846  11.299   4.508
  946   3HN6  NCO 101          3HN6      NCO 101 -13.910  11.007   3.198
  947   1HN1  NCO 102          1HN1      NCO 102  -8.229 -18.462  -1.260
  948   2HN1  NCO 102          2HN1      NCO 102  -8.194 -17.187  -0.231
  949   3HN1  NCO 102          3HN1      NCO 102  -7.617 -17.027  -1.755
  950   1HN2  NCO 102          1HN2      NCO 102 -11.749 -17.474  -0.014
  951   2HN2  NCO 102          2HN2      NCO 102 -11.109 -18.856  -0.616
  952   3HN2  NCO 102          3HN2      NCO 102 -10.252 -17.953   0.447
  953   1HN3  NCO 102          1HN3      NCO 102 -10.901 -19.140  -2.590
  954   2HN3  NCO 102          2HN3      NCO 102 -10.421 -18.256  -3.882
  955   3HN3  NCO 102          3HN3      NCO 102  -9.306 -18.980  -2.926
  956   1HN4  NCO 102          1HN4      NCO 102  -8.628 -16.507  -3.753
  957   2HN4  NCO 102          2HN4      NCO 102  -8.838 -15.106  -2.932
  958   3HN4  NCO 102          3HN4      NCO 102 -10.009 -15.647  -3.940
  959   1HN5  NCO 102          1HN5      NCO 102  -9.160 -14.810  -0.898
  960   2HN5  NCO 102          2HN5      NCO 102  -9.964 -15.597   0.290
  961   3HN5  NCO 102          3HN5      NCO 102 -10.793 -14.733  -0.827
  962   1HN6  NCO 102          1HN6      NCO 102 -12.174 -16.951  -3.199
  963   2HN6  NCO 102          2HN6      NCO 102 -11.907 -15.424  -2.674
  964   3HN6  NCO 102          3HN6      NCO 102 -12.567 -16.533  -1.665
  965   1HN1  NCO 103          1HN1      NCO 103  12.327 -11.884   0.448
  966   2HN1  NCO 103          2HN1      NCO 103  13.733 -12.067   1.265
  967   3HN1  NCO 103          3HN1      NCO 103  12.499 -13.113   1.517
  968   1HN2  NCO 103          1HN2      NCO 103  10.883 -10.140   0.740
  969   2HN2  NCO 103          2HN2      NCO 103  12.297  -9.337   0.926
  970   3HN2  NCO 103          3HN2      NCO 103  10.999  -8.933   1.838
  971   1HN3  NCO 103          1HN3      NCO 103  13.687  -9.130   2.915
  972   2HN3  NCO 103          2HN3      NCO 103  14.350 -10.365   2.067
  973   3HN3  NCO 103          3HN3      NCO 103  14.286 -10.435   3.702
  974   1HN4  NCO 103          1HN4      NCO 103  13.145 -11.850   4.819
  975   2HN4  NCO 103          2HN4      NCO 103  11.813 -12.749   4.504
  976   3HN4  NCO 103          3HN4      NCO 103  13.193 -13.004   3.660
  977   1HN5  NCO 103          1HN5      NCO 103  10.445 -12.873   2.520
  978   2HN5  NCO 103          2HN5      NCO 103   9.811 -11.529   1.836
  979   3HN5  NCO 103          3HN5      NCO 103   9.773 -11.716   3.462
  980   1HN6  NCO 103          1HN6      NCO 103  11.303  -8.871   3.823
  981   2HN6  NCO 103          2HN6      NCO 103  12.000  -9.821   4.960
  982   3HN6  NCO 103          3HN6      NCO 103  10.464 -10.118   4.472
  983   1HN1  NCO 104          1HN1      NCO 104   8.996  13.829  -2.033
  984   2HN1  NCO 104          2HN1      NCO 104  10.231  13.121  -1.223
  985   3HN1  NCO 104          3HN1      NCO 104  10.517  14.416  -2.182
  986   1HN2  NCO 104          1HN2      NCO 104   9.051  13.423   1.658
  987   2HN2  NCO 104          2HN2      NCO 104   7.647  14.103   1.164
  988   3HN2  NCO 104          3HN2      NCO 104   8.400  13.001   0.214
  989   1HN3  NCO 104          1HN3      NCO 104   8.091  16.147  -1.808
  990   2HN3  NCO 104          2HN3      NCO 104   7.228  15.070  -0.929
  991   3HN3  NCO 104          3HN3      NCO 104   7.492  16.576  -0.346
  992   1HN4  NCO 104          1HN4      NCO 104  11.490  16.328  -1.060
  993   2HN4  NCO 104          2HN4      NCO 104  10.121  16.810  -1.815
  994   3HN4  NCO 104          3HN4      NCO 104  10.524  17.451  -0.362
  995   1HN5  NCO 104          1HN5      NCO 104  11.865  15.306   0.848
  996   2HN5  NCO 104          2HN5      NCO 104  11.003  14.236   1.738
  997   3HN5  NCO 104          3HN5      NCO 104  11.571  13.805   0.264
  998   1HN6  NCO 104          1HN6      NCO 104   9.772  16.111   2.284
  999   2HN6  NCO 104          2HN6      NCO 104   8.225  16.302   1.783
 1000   3HN6  NCO 104          3HN6      NCO 104   9.388  17.327   1.255
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.705 -44.503  -7.178
    2   2H5*    G   1          2H5*        G   1   4.977 -42.762  -6.957
    3    H4*    G   1           H4*        G   1   4.639 -43.322  -9.325
    4    H3*    G   1           H3*        G   1   2.736 -41.514  -7.911
    5    H2*    G   1           H2*        G   1   1.077 -41.587  -9.551
    6   2HO*    G   1          2HO*        G   1   2.024 -42.837 -11.638
    7    H1*    G   1           H1*        G   1   1.265 -44.172 -10.377
    8    H8     G   1           H8         G   1   1.812 -44.457  -6.706
    9    H1     G   1           H1         G   1  -4.312 -43.222  -8.120
   10   1H2     G   1          1H2         G   1  -4.495 -42.639 -10.252
   11   2H2     G   1          2H2         G   1  -3.116 -42.553 -11.326
   12    H5T    G   1           H5T        G   1   2.884 -42.545  -6.233
   13   1H5*    G   2          1H5*        G   2   2.217 -40.286 -11.335
   14   2H5*    G   2          2H5*        G   2   2.655 -38.602 -11.682
   15    H4*    G   2           H4*        G   2   0.362 -38.980 -12.358
   16    H3*    G   2           H3*        G   2   0.727 -37.250  -9.914
   17    H2*    G   2           H2*        G   2  -1.564 -37.156  -9.548
   18   2HO*    G   2          2HO*        G   2  -2.365 -38.045 -12.064
   19    H1*    G   2           H1*        G   2  -2.290 -39.597 -10.813
   20    H8     G   2           H8         G   2   0.219 -40.108  -8.034
   21    H1     G   2           H1         G   2  -5.823 -39.603  -5.962
   22   1H2     G   2          1H2         G   2  -7.133 -38.921  -7.616
   23   2H2     G   2          2H2         G   2  -6.524 -38.592  -9.222
   24   1H5*    G   3          1H5*        G   3  -1.924 -35.938 -12.668
   25   2H5*    G   3          2H5*        G   3  -1.789 -34.299 -13.336
   26    H4*    G   3           H4*        G   3  -4.110 -34.727 -12.876
   27    H3*    G   3           H3*        G   3  -2.765 -32.814 -10.976
   28    H2*    G   3           H2*        G   3  -4.651 -32.696  -9.610
   29   2HO*    G   3          2HO*        G   3  -6.689 -33.753 -10.695
   30    H1*    G   3           H1*        G   3  -5.643 -35.280  -9.998
   31    H8     G   3           H8         G   3  -1.909 -35.021  -9.150
   32    H1     G   3           H1         G   3  -5.775 -35.331  -4.056
   33   1H2     G   3          1H2         G   3  -7.898 -35.189  -4.710
   34   2H2     G   3          2H2         G   3  -8.353 -35.017  -6.389
   35   1H5*    A   4          1H5*        A   4  -6.403 -31.691 -11.532
   36   2H5*    A   4          2H5*        A   4  -6.670 -30.139 -12.350
   37    H4*    A   4           H4*        A   4  -8.189 -30.140 -10.545
   38    H3*    A   4           H3*        A   4  -5.724 -28.517  -9.949
   39    H2*    A   4           H2*        A   4  -6.318 -28.220  -7.722
   40   2HO*    A   4          2HO*        A   4  -8.981 -29.033  -8.002
   41    H1*    A   4           H1*        A   4  -7.809 -30.573  -7.327
   42    H8     A   4           H8         A   4  -4.215 -30.717  -8.755
   43   1H6     A   4          1H6         A   4  -2.462 -31.819  -2.939
   44   2H6     A   4          2H6         A   4  -1.937 -31.705  -4.603
   45    H2     A   4           H2         A   4  -6.873 -30.950  -2.908
   46   1H5*    U   5          1H5*        U   5  -9.014 -26.718  -8.049
   47   2H5*    U   5          2H5*        U   5  -8.948 -24.956  -8.257
   48    H4*    U   5           H4*        U   5  -9.018 -25.705  -5.867
   49    H3*    U   5           H3*        U   5  -6.753 -24.032  -6.922
   50    H2*    U   5           H2*        U   5  -5.509 -24.267  -4.982
   51   2HO*    U   5          2HO*        U   5  -6.984 -25.105  -3.045
   52    H1*    U   5           H1*        U   5  -6.580 -26.720  -4.045
   53    H3     U   5           H3         U   5  -2.245 -27.878  -4.100
   54    H5     U   5           H5         U   5  -3.060 -27.001  -8.142
   55    H6     U   5           H6         U   5  -5.281 -26.291  -7.472
   56   1H5*    A   6          1H5*        A   6  -8.281 -19.529  -5.273
   57   2H5*    A   6          2H5*        A   6  -6.533 -19.368  -5.011
   58    H4*    A   6           H4*        A   6  -8.356 -21.247  -3.474
   59    H3*    A   6           H3*        A   6  -8.233 -18.499  -3.079
   60    H2*    A   6           H2*        A   6  -6.045 -18.280  -2.321
   61   2HO*    A   6          2HO*        A   6  -6.919 -17.812  -0.398
   62    H1*    A   6           H1*        A   6  -5.895 -20.977  -1.056
   63    H8     A   6           H8         A   6  -4.331 -19.669  -4.340
   64   1H6     A   6          1H6         A   6   1.053 -19.947  -1.322
   65   2H6     A   6          2H6         A   6   0.285 -19.640  -2.863
   66    H2     A   6           H2         A   6  -2.223 -20.936   1.591
   67   1H5*    U   7          1H5*        U   7  -9.442 -17.781   2.187
   68   2H5*    U   7          2H5*        U   7  -8.009 -17.233   1.293
   69    H4*    U   7           H4*        U   7  -8.026 -18.256   3.863
   70    H3*    U   7           H3*        U   7  -5.884 -17.799   1.820
   71    H2*    U   7           H2*        U   7  -4.503 -19.430   2.656
   72   2HO*    U   7          2HO*        U   7  -4.002 -19.506   4.790
   73    H1*    U   7           H1*        U   7  -6.419 -20.632   4.518
   74    H3     U   7           H3         U   7  -5.555 -24.810   3.209
   75    H5     U   7           H5         U   7  -4.503 -22.550  -0.189
   76    H6     U   7           H6         U   7  -5.249 -20.560   0.982
   77   1H5*    G   8          1H5*        G   8  -2.442 -18.982   3.684
   78   2H5*    G   8          2H5*        G   8  -2.419 -17.675   4.886
   79    H4*    G   8           H4*        G   8  -0.319 -17.489   3.895
   80    H3*    G   8           H3*        G   8  -2.256 -15.580   2.627
   81    H2*    G   8           H2*        G   8  -0.834 -15.056   0.871
   82   2HO*    G   8          2HO*        G   8   1.129 -14.539   1.375
   83    H1*    G   8           H1*        G   8   0.607 -17.446   0.673
   84    H8     G   8           H8         G   8  -3.133 -18.051   0.694
   85    H1     G   8           H1         G   8  -0.864 -16.362  -5.047
   86   1H2     G   8          1H2         G   8   1.242 -15.703  -4.869
   87   2H2     G   8          2H2         G   8   2.092 -15.676  -3.341
   88   1H5*    G   9          1H5*        G   9  -1.400 -11.419   1.863
   89   2H5*    G   9          2H5*        G   9  -1.896 -13.038   1.327
   90    H4*    G   9           H4*        G   9   0.791 -11.990   0.493
   91    H3*    G   9           H3*        G   9  -1.848 -10.983  -0.556
   92    H2*    G   9           H2*        G   9  -1.183 -11.282  -2.776
   93   2HO*    G   9          2HO*        G   9   1.512 -11.461  -1.865
   94    H1*    G   9           H1*        G   9   0.409 -13.535  -2.466
   95    H8     G   9           H8         G   9  -2.502 -14.651  -0.611
   96    H1     G   9           H1         G   9  -3.958 -13.974  -6.811
   97   1H2     G   9          1H2         G   9  -2.371 -12.807  -7.834
   98   2H2     G   9          2H2         G   9  -0.963 -12.196  -6.998
   99   1H5*    A  10          1H5*        A  10   0.667  -9.115  -3.114
  100   2H5*    A  10          2H5*        A  10   0.947  -7.524  -2.380
  101    H4*    A  10           H4*        A  10   0.803  -6.885  -4.569
  102    H3*    A  10           H3*        A  10  -2.030  -6.897  -3.533
  103    H2*    A  10           H2*        A  10  -2.886  -6.512  -5.684
  104   2HO*    A  10          2HO*        A  10  -0.863  -6.113  -7.294
  105    H1*    A  10           H1*        A  10  -1.107  -8.050  -7.124
  106    H8     A  10           H8         A  10  -2.261  -9.724  -3.881
  107   1H6     A  10          1H6         A  10  -6.977 -11.964  -7.179
  108   2H6     A  10          2H6         A  10  -6.157 -12.002  -5.634
  109    H2     A  10           H2         A  10  -4.740  -9.049  -9.767
  110   1H5*    A  11          1H5*        A  11  -1.228  -3.613  -5.961
  111   2H5*    A  11          2H5*        A  11  -2.060  -2.092  -5.583
  112    H4*    A  11           H4*        A  11  -2.451  -2.970  -7.913
  113    H3*    A  11           H3*        A  11  -4.797  -2.524  -6.048
  114    H2*    A  11           H2*        A  11  -6.256  -3.225  -7.758
  115   2HO*    A  11          2HO*        A  11  -5.268  -1.900  -9.391
  116    H1*    A  11           H1*        A  11  -4.617  -5.197  -8.841
  117    H8     A  11           H8         A  11  -4.681  -5.435  -5.052
  118   1H6     A  11          1H6         A  11  -9.864  -8.743  -5.715
  119   2H6     A  11          2H6         A  11  -8.643  -8.199  -4.585
  120    H2     A  11           H2         A  11  -8.795  -7.019  -9.722
  121   1H5*    G  12          1H5*        G  12  -5.762   0.580  -9.181
  122   2H5*    G  12          2H5*        G  12  -6.438   1.943  -8.267
  123    H4*    G  12           H4*        G  12  -8.013   0.967  -9.948
  124    H3*    G  12           H3*        G  12  -8.761   0.932  -7.016
  125    H2*    G  12           H2*        G  12 -10.791  -0.129  -7.548
  126   2HO*    G  12          2HO*        G  12 -11.832   0.212  -9.378
  127    H1*    G  12           H1*        G  12  -9.849  -1.714  -9.626
  128    H8     G  12           H8         G  12  -7.501  -1.820  -6.643
  129    H1     G  12           H1         G  12 -12.595  -5.647  -6.041
  130   1H2     G  12          1H2         G  12 -14.046  -5.238  -7.673
  131   2H2     G  12          2H2         G  12 -13.759  -4.024  -8.898
  132   1H5*    A  13          1H5*        A  13 -11.798   2.153  -8.927
  133   2H5*    A  13          2H5*        A  13 -12.443   3.789  -8.684
  134    H4*    A  13           H4*        A  13 -14.354   2.451  -8.606
  135    H3*    A  13           H3*        A  13 -13.375   2.952  -5.794
  136    H2*    A  13           H2*        A  13 -15.021   1.529  -4.923
  137   2HO*    A  13          2HO*        A  13 -16.448   2.507  -6.980
  138    H1*    A  13           H1*        A  13 -15.093  -0.332  -6.991
  139    H8     A  13           H8         A  13 -11.617   0.733  -5.710
  140   1H6     A  13          1H6         A  13 -12.033  -4.141  -1.934
  141   2H6     A  13          2H6         A  13 -10.994  -2.864  -2.524
  142    H2     A  13           H2         A  13 -15.980  -3.675  -4.034
  143   1H5*    A  14          1H5*        A  14 -17.751   3.168  -5.809
  144   2H5*    A  14          2H5*        A  14 -18.142   4.743  -5.086
  145    H4*    A  14           H4*        A  14 -19.497   3.005  -4.056
  146    H3*    A  14           H3*        A  14 -17.366   4.249  -2.322
  147    H2*    A  14           H2*        A  14 -17.776   2.757  -0.595
  148   2HO*    A  14          2HO*        A  14 -20.245   1.858  -1.576
  149    H1*    A  14           H1*        A  14 -18.728   0.576  -2.113
  150    H8     A  14           H8         A  14 -15.293   2.188  -2.856
  151   1H6     A  14          1H6         A  14 -12.970  -2.225   0.785
  152   2H6     A  14          2H6         A  14 -12.589  -0.891  -0.280
  153    H2     A  14           H2         A  14 -17.453  -2.537   0.921
  154   1H5*    C  15          1H5*        C  15 -21.541   3.703  -0.306
  155   2H5*    C  15          2H5*        C  15 -21.775   5.264   0.505
  156    H4*    C  15           H4*        C  15 -22.426   3.524   2.033
  157    H3*    C  15           H3*        C  15 -19.791   4.835   2.713
  158    H2*    C  15           H2*        C  15 -19.500   3.383   4.535
  159   2HO*    C  15          2HO*        C  15 -21.350   2.050   5.239
  160    H1*    C  15           H1*        C  15 -20.622   1.102   3.419
  161   1H4     C  15          1H4         C  15 -14.376   0.180   2.694
  162   2H4     C  15          2H4         C  15 -14.266   1.509   1.564
  163    H5     C  15           H5         C  15 -16.141   2.900   0.976
  164    H6     C  15           H6         C  15 -18.521   3.338   1.369
  165   1H5*    C  16          1H5*        C  16 -21.566   4.667   6.357
  166   2H5*    C  16          2H5*        C  16 -21.237   6.129   7.311
  167    H4*    C  16           H4*        C  16 -20.270   4.128   8.366
  168    H3*    C  16           H3*        C  16 -18.362   6.220   7.313
  169    H2*    C  16           H2*        C  16 -16.528   4.908   7.897
  170   2HO*    C  16          2HO*        C  16 -17.863   3.048   9.467
  171    H1*    C  16           H1*        C  16 -17.723   2.378   7.587
  172   1H4     C  16          1H4         C  16 -13.689   2.841   2.704
  173   2H4     C  16          2H4         C  16 -14.634   4.129   1.986
  174    H5     C  16           H5         C  16 -16.607   5.058   3.024
  175    H6     C  16           H6         C  16 -18.071   4.977   4.990
  176   1H5*    G  17          1H5*        G  17 -17.761   5.256  11.823
  177   2H5*    G  17          2H5*        G  17 -17.569   6.846  12.586
  178    H4*    G  17           H4*        G  17 -15.956   5.328  13.545
  179    H3*    G  17           H3*        G  17 -14.790   7.410  11.694
  180    H2*    G  17           H2*        G  17 -12.648   6.496  11.942
  181   2HO*    G  17          2HO*        G  17 -13.035   4.654  13.898
  182    H1*    G  17           H1*        G  17 -13.363   3.817  12.161
  183    H8     G  17           H8         G  17 -15.108   5.716   9.336
  184    H1     G  17           H1         G  17  -9.391   3.335   7.727
  185   1H2     G  17          1H2         G  17  -8.371   2.518   9.530
  186   2H2     G  17          2H2         G  17  -9.094   2.569  11.122
  187   1H5*    G  18          1H5*        G  18 -12.122   6.545  14.602
  188   2H5*    G  18          2H5*        G  18 -11.890   7.965  15.640
  189    H4*    G  18           H4*        G  18  -9.728   7.030  15.219
  190    H3*    G  18           H3*        G  18 -10.272   9.549  13.646
  191    H2*    G  18           H2*        G  18  -8.260   9.338  12.505
  192   2HO*    G  18          2HO*        G  18  -6.738   7.614  13.677
  193    H1*    G  18           H1*        G  18  -7.981   6.520  12.673
  194    H8     G  18           H8         G  18 -11.187   7.880  11.082
  195    H1     G  18           H1         G  18  -6.343   7.128   6.975
  196   1H2     G  18          1H2         G  18  -4.481   6.614   8.076
  197   2H2     G  18          2H2         G  18  -4.432   6.465   9.819
  198   1H5*    G  19          1H5*        G  19  -6.155   9.253  15.120
  199   2H5*    G  19          2H5*        G  19  -5.820  10.772  15.975
  200    H4*    G  19           H4*        G  19  -3.971  10.182  14.478
  201    H3*    G  19           H3*        G  19  -5.578  12.643  13.804
  202    H2*    G  19           H2*        G  19  -4.428  12.947  11.806
  203   2HO*    G  19          2HO*        G  19  -2.345  12.970  12.053
  204    H1*    G  19           H1*        G  19  -3.742  10.254  11.288
  205    H8     G  19           H8         G  19  -7.418  11.259  11.899
  206    H1     G  19           H1         G  19  -5.626  11.195   5.754
  207   1H2     G  19          1H2         G  19  -3.440  10.852   5.601
  208   2H2     G  19          2H2         G  19  -2.424  10.634   7.009
  209   1H5*    G  20          1H5*        G  20  -4.566  16.698  13.766
  210   2H5*    G  20          2H5*        G  20  -5.286  15.150  13.281
  211    H4*    G  20           H4*        G  20  -2.792  16.158  11.924
  212    H3*    G  20           H3*        G  20  -5.590  17.183  11.493
  213    H2*    G  20           H2*        G  20  -5.412  16.960   9.166
  214   2HO*    G  20          2HO*        G  20  -2.601  16.819   9.599
  215    H1*    G  20           H1*        G  20  -3.959  14.628   9.062
  216    H8     G  20           H8         G  20  -6.438  14.033  11.781
  217    H1     G  20           H1         G  20  -9.172  13.930   5.996
  218   1H2     G  20          1H2         G  20  -7.753  14.669   4.473
  219   2H2     G  20          2H2         G  20  -6.133  15.194   4.873
  220   1H5*    A  21          1H5*        A  21  -6.850  21.052  11.820
  221   2H5*    A  21          2H5*        A  21  -7.376  19.679  10.824
  222    H4*    A  21           H4*        A  21  -7.954  22.186  10.159
  223    H3*    A  21           H3*        A  21  -7.442  19.792   8.480
  224    H2*    A  21           H2*        A  21  -6.864  20.921   6.538
  225   2HO*    A  21          2HO*        A  21  -7.499  23.223   6.321
  226    H1*    A  21           H1*        A  21  -5.717  23.215   7.519
  227    H8     A  21           H8         A  21  -4.558  20.164   9.478
  228   1H6     A  21          1H6         A  21  -0.104  19.573   5.256
  229   2H6     A  21          2H6         A  21  -0.712  19.010   6.796
  230    H2     A  21           H2         A  21  -2.955  22.731   3.810
  231   1H5*    A  22          1H5*        A  22 -10.278  18.679   5.242
  232   2H5*    A  22          2H5*        A  22  -9.019  17.472   5.574
  233    H4*    A  22           H4*        A  22  -8.962  19.867   3.833
  234    H3*    A  22           H3*        A  22  -7.742  17.124   3.844
  235    H2*    A  22           H2*        A  22  -5.760  17.834   2.862
  236   2HO*    A  22          2HO*        A  22  -6.943  18.869   1.113
  237    H1*    A  22           H1*        A  22  -5.650  20.456   3.817
  238    H8     A  22           H8         A  22  -6.029  18.944   7.015
  239   1H6     A  22          1H6         A  22  -0.420  16.396   6.588
  240   2H6     A  22          2H6         A  22  -1.737  16.803   7.666
  241    H2     A  22           H2         A  22  -1.641  17.746   2.477
  242   1H5*    A  23          1H5*        A  23  -8.170  16.726  -1.532
  243   2H5*    A  23          2H5*        A  23  -8.040  15.130  -0.765
  244    H4*    A  23           H4*        A  23  -6.173  16.320  -2.459
  245    H3*    A  23           H3*        A  23  -6.199  13.906  -0.698
  246    H2*    A  23           H2*        A  23  -3.869  13.772  -0.502
  247   2HO*    A  23          2HO*        A  23  -2.468  14.843  -1.953
  248    H1*    A  23           H1*        A  23  -3.228  16.404  -0.353
  249    H8     A  23           H8         A  23  -6.532  15.645   1.430
  250   1H6     A  23          1H6         A  23  -3.109  14.590   6.465
  251   2H6     A  23          2H6         A  23  -4.740  14.779   5.853
  252    H2     A  23           H2         A  23  -0.316  15.130   2.968
  253   1H5*    C  24          1H5*        C  24  -3.795  12.681  -2.710
  254   2H5*    C  24          2H5*        C  24  -3.812  11.060  -3.432
  255    H4*    C  24           H4*        C  24  -2.125  11.193  -1.672
  256    H3*    C  24           H3*        C  24  -4.519   9.435  -1.127
  257    H2*    C  24           H2*        C  24  -3.732   8.948   1.024
  258   2HO*    C  24          2HO*        C  24  -1.351   9.845   1.343
  259    H1*    C  24           H1*        C  24  -2.529  11.399   1.588
  260   1H4     C  24          1H4         C  24  -8.006  11.618   4.802
  261   2H4     C  24          2H4         C  24  -8.914  11.768   3.315
  262    H5     C  24           H5         C  24  -7.898  11.672   1.132
  263    H6     C  24           H6         C  24  -5.792  11.425  -0.096
  264   1H5*    U  25          1H5*        U  25  -1.533   7.723   0.211
  265   2H5*    U  25          2H5*        U  25  -1.077   6.073  -0.255
  266    H4*    U  25           H4*        U  25  -1.131   6.113   2.125
  267    H3*    U  25           H3*        U  25  -3.577   4.794   0.940
  268    H2*    U  25           H2*        U  25  -4.499   4.512   3.069
  269   2HO*    U  25          2HO*        U  25  -1.855   4.836   4.083
  270    H1*    U  25           H1*        U  25  -3.365   6.779   4.296
  271    H3     U  25           H3         U  25  -7.744   7.655   4.854
  272    H5     U  25           H5         U  25  -7.224   7.862   0.676
  273    H6     U  25           H6         U  25  -4.937   7.116   0.990
  274   1H5*    U  26          1H5*        U  26  -2.077   3.065   4.014
  275   2H5*    U  26          2H5*        U  26  -1.395   1.426   3.959
  276    H4*    U  26           H4*        U  26  -2.512   1.381   5.984
  277    H3*    U  26           H3*        U  26  -4.468   0.426   3.884
  278    H2*    U  26           H2*        U  26  -6.153   0.297   5.503
  279   2HO*    U  26          2HO*        U  26  -5.490   0.485   7.822
  280    H1*    U  26           H1*        U  26  -5.366   2.467   7.068
  281    H3     U  26           H3         U  26  -9.326   4.048   5.651
  282    H5     U  26           H5         U  26  -7.170   3.524   2.070
  283    H6     U  26           H6         U  26  -5.367   2.558   3.373
  284   1H5*    G  27          1H5*        G  27  -4.675  -1.592   7.220
  285   2H5*    G  27          2H5*        G  27  -5.072  -3.323   7.232
  286    H4*    G  27           H4*        G  27  -6.711  -1.994   8.504
  287    H3*    G  27           H3*        G  27  -7.705  -3.340   5.979
  288    H2*    G  27           H2*        G  27  -9.817  -2.429   6.344
  289   2HO*    G  27          2HO*        G  27  -9.253  -1.850   9.055
  290    H1*    G  27           H1*        G  27  -8.964  -0.145   7.822
  291    H8     G  27           H8         G  27  -7.667  -0.607   4.230
  292    H1     G  27           H1         G  27 -13.174   2.620   4.731
  293   1H2     G  27          1H2         G  27 -13.910   2.532   6.824
  294   2H2     G  27          2H2         G  27 -13.044   1.684   8.086
  295   1H5*    G  28          1H5*        G  28 -10.144  -4.759   9.735
  296   2H5*    G  28          2H5*        G  28  -9.809  -6.498   9.629
  297    H4*    G  28           H4*        G  28 -12.028  -6.597  10.172
  298    H3*    G  28           H3*        G  28 -11.866  -6.450   7.182
  299    H2*    G  28           H2*        G  28 -14.156  -6.009   6.922
  300   2HO*    G  28          2HO*        G  28 -15.536  -6.209   8.920
  301    H1*    G  28           H1*        G  28 -14.556  -4.332   9.022
  302    H8     G  28           H8         G  28 -11.107  -3.772   7.497
  303    H1     G  28           H1         G  28 -15.798  -0.718   4.393
  304   1H2     G  28          1H2         G  28 -17.773  -1.315   5.219
  305   2H2     G  28          2H2         G  28 -17.936  -2.492   6.503
  306   1H5*    U  29          1H5*        U  29 -15.108  -8.606   7.534
  307   2H5*    U  29          2H5*        U  29 -14.956 -10.236   6.849
  308    H4*    U  29           H4*        U  29 -16.919  -9.263   5.901
  309    H3*    U  29           H3*        U  29 -14.582  -9.287   3.985
  310    H2*    U  29           H2*        U  29 -15.851  -8.169   2.371
  311   2HO*    U  29          2HO*        U  29 -18.170  -8.080   2.526
  312    H1*    U  29           H1*        U  29 -17.401  -6.602   4.087
  313    H3     U  29           H3         U  29 -15.098  -3.571   1.637
  314    H5     U  29           H5         U  29 -12.180  -5.271   4.161
  315    H6     U  29           H6         U  29 -13.855  -6.855   4.919
  316   1H5*    U  30          1H5*        U  30 -18.488 -10.417   2.173
  317   2H5*    U  30          2H5*        U  30 -18.185 -11.837   1.153
  318    H4*    U  30           H4*        U  30 -19.531 -10.097   0.006
  319    H3*    U  30           H3*        U  30 -16.797 -10.744  -1.126
  320    H2*    U  30           H2*        U  30 -17.152  -9.169  -2.833
  321   2HO*    U  30          2HO*        U  30 -19.617  -8.315  -2.630
  322    H1*    U  30           H1*        U  30 -18.586  -7.312  -1.329
  323    H3     U  30           H3         U  30 -14.864  -4.999  -2.422
  324    H5     U  30           H5         U  30 -13.491  -7.873   0.341
  325    H6     U  30           H6         U  30 -15.704  -8.868   0.305
  326   1H5*    C  31          1H5*        C  31 -19.507 -10.734  -4.428
  327   2H5*    C  31          2H5*        C  31 -18.977 -11.944  -5.614
  328    H4*    C  31           H4*        C  31 -19.064  -9.575  -6.474
  329    H3*    C  31           H3*        C  31 -16.456 -11.116  -6.544
  330    H2*    C  31           H2*        C  31 -15.394  -9.256  -7.476
  331   2HO*    C  31          2HO*        C  31 -17.505  -9.100  -8.926
  332    H1*    C  31           H1*        C  31 -16.998  -7.267  -6.269
  333   1H4     C  31          1H4         C  31 -11.358  -6.760  -3.389
  334   2H4     C  31          2H4         C  31 -11.617  -8.268  -2.542
  335    H5     C  31           H5         C  31 -13.544  -9.671  -2.901
  336    H6     C  31           H6         C  31 -15.623  -9.944  -4.171
  337   1H5*    U  32          1H5*        U  32 -17.123 -10.178 -10.939
  338   2H5*    U  32          2H5*        U  32 -16.779 -11.720 -11.747
  339    H4*    U  32           H4*        U  32 -15.453  -9.938 -12.746
  340    H3*    U  32           H3*        U  32 -13.962 -12.030 -11.169
  341    H2*    U  32           H2*        U  32 -11.929 -10.901 -11.440
  342   2HO*    U  32          2HO*        U  32 -12.852  -9.025 -13.290
  343    H1*    U  32           H1*        U  32 -12.861  -8.297 -11.325
  344    H3     U  32           H3         U  32 -10.463  -8.496  -7.520
  345    H5     U  32           H5         U  32 -13.704 -11.078  -6.772
  346    H6     U  32           H6         U  32 -14.407 -10.751  -9.071
  347   1H5*    U  33          1H5*        U  33 -12.154 -11.190 -15.126
  348   2H5*    U  33          2H5*        U  33 -11.435 -12.654 -15.826
  349    H4*    U  33           H4*        U  33  -9.895 -10.669 -15.736
  350    H3*    U  33           H3*        U  33  -9.184 -13.269 -14.388
  351    H2*    U  33           H2*        U  33  -7.279 -12.352 -13.419
  352   2HO*    U  33          2HO*        U  33  -6.364 -11.613 -15.353
  353    H1*    U  33           H1*        U  33  -8.128  -9.670 -13.226
  354    H3     U  33           H3         U  33  -7.167 -10.609  -8.913
  355    H5     U  33           H5         U  33 -10.522 -13.019  -9.743
  356    H6     U  33           H6         U  33 -10.374 -12.318 -12.061
  357   1H5*    C  34          1H5*        C  34  -4.598 -14.643 -15.752
  358   2H5*    C  34          2H5*        C  34  -5.690 -14.488 -14.360
  359    H4*    C  34           H4*        C  34  -3.678 -12.337 -15.043
  360    H3*    C  34           H3*        C  34  -3.172 -14.933 -13.612
  361    H2*    C  34           H2*        C  34  -2.164 -13.885 -11.800
  362   2HO*    C  34          2HO*        C  34  -0.584 -12.741 -12.796
  363    H1*    C  34           H1*        C  34  -3.505 -11.422 -11.877
  364   1H4     C  34          1H4         C  34  -5.677 -14.763  -6.861
  365   2H4     C  34          2H4         C  34  -7.038 -15.252  -7.844
  366    H5     C  34           H5         C  34  -7.210 -14.770 -10.196
  367    H6     C  34           H6         C  34  -6.113 -13.718 -12.119
  368   1H5*    C  35          1H5*        C  35   1.292 -16.406 -13.475
  369   2H5*    C  35          2H5*        C  35   0.048 -16.644 -12.231
  370    H4*    C  35           H4*        C  35   2.467 -14.819 -12.116
  371    H3*    C  35           H3*        C  35   1.760 -17.420 -10.846
  372    H2*    C  35           H2*        C  35   2.144 -16.743  -8.660
  373   2HO*    C  35          2HO*        C  35   3.421 -14.611  -8.447
  374    H1*    C  35           H1*        C  35   1.505 -14.064  -8.788
  375   1H4     C  35          1H4         C  35  -3.525 -17.114  -6.254
  376   2H4     C  35          2H4         C  35  -4.274 -17.083  -7.833
  377    H5     C  35           H5         C  35  -3.142 -16.339  -9.818
  378    H6     C  35           H6         C  35  -1.043 -15.460 -10.727
  379   1H5*    U  36          1H5*        U  36   5.136 -20.687  -9.962
  380   2H5*    U  36          2H5*        U  36   3.477 -20.058  -9.889
  381    H4*    U  36           H4*        U  36   5.567 -19.206  -7.882
  382    H3*    U  36           H3*        U  36   4.052 -21.795  -7.938
  383    H2*    U  36           H2*        U  36   3.158 -21.503  -5.834
  384   2HO*    U  36          2HO*        U  36   5.584 -21.132  -5.199
  385    H1*    U  36           H1*        U  36   3.480 -18.668  -5.585
  386    H3     U  36           H3         U  36  -0.738 -20.094  -4.235
  387    H5     U  36           H5         U  36  -0.948 -19.270  -8.363
  388    H6     U  36           H6         U  36   1.473 -19.106  -8.386
  389   1H5*    A  37          1H5*        A  37   4.511 -25.238  -6.488
  390   2H5*    A  37          2H5*        A  37   3.876 -23.580  -6.461
  391    H4*    A  37           H4*        A  37   4.884 -24.027  -3.873
  392    H3*    A  37           H3*        A  37   4.503 -26.589  -4.754
  393    H2*    A  37           H2*        A  37   2.233 -26.517  -5.324
  394   2HO*    A  37          2HO*        A  37   2.577 -27.715  -3.181
  395    H1*    A  37           H1*        A  37   1.408 -24.653  -3.155
  396    H8     A  37           H8         A  37   1.865 -24.368  -7.022
  397   1H6     A  37          1H6         A  37  -4.202 -23.211  -7.099
  398   2H6     A  37          2H6         A  37  -2.752 -23.351  -8.066
  399    H2     A  37           H2         A  37  -3.004 -24.024  -2.842
  400   1H5*    A  38          1H5*        A  38   5.906 -28.602  -0.029
  401   2H5*    A  38          2H5*        A  38   4.250 -28.222  -0.545
  402    H4*    A  38           H4*        A  38   5.644 -27.600   2.040
  403    H3*    A  38           H3*        A  38   3.109 -28.927   1.200
  404    H2*    A  38           H2*        A  38   1.750 -27.833   2.731
  405   2HO*    A  38          2HO*        A  38   3.249 -26.624   4.487
  406    H1*    A  38           H1*        A  38   3.047 -25.408   2.981
  407    H8     A  38           H8         A  38   3.004 -25.709  -0.660
  408   1H6     A  38          1H6         A  38  -3.036 -24.419  -0.618
  409   2H6     A  38          2H6         A  38  -1.603 -24.565  -1.610
  410    H2     A  38           H2         A  38  -1.794 -25.363   3.597
  411   1H5*    G  39          1H5*        G  39   1.467 -32.211   4.638
  412   2H5*    G  39          2H5*        G  39   0.905 -31.692   3.037
  413    H4*    G  39           H4*        G  39   0.095 -30.681   5.759
  414    H3*    G  39           H3*        G  39  -1.281 -31.975   3.450
  415    H2*    G  39           H2*        G  39  -3.055 -30.469   3.365
  416   2HO*    G  39          2HO*        G  39  -3.471 -29.058   5.229
  417    H1*    G  39           H1*        G  39  -1.818 -28.143   4.124
  418    H8     G  39           H8         G  39   0.687 -29.587   1.826
  419    H1     G  39           H1         G  39  -4.450 -27.459  -1.346
  420   1H2     G  39          1H2         G  39  -6.108 -27.055   0.073
  421   2H2     G  39          2H2         G  39  -5.951 -27.310   1.797
  422   1H5*    U  40          1H5*        U  40  -4.756 -32.055   6.269
  423   2H5*    U  40          2H5*        U  40  -5.186 -33.777   6.237
  424    H4*    U  40           H4*        U  40  -7.076 -32.254   5.644
  425    H3*    U  40           H3*        U  40  -6.111 -34.384   3.763
  426    H2*    U  40           H2*        U  40  -7.422 -33.626   1.987
  427   2HO*    U  40          2HO*        U  40  -9.242 -32.261   2.325
  428    H1*    U  40           H1*        U  40  -7.358 -30.911   2.455
  429    H3     U  40           H3         U  40  -5.068 -31.478  -1.438
  430    H5     U  40           H5         U  40  -2.342 -32.584   1.581
  431    H6     U  40           H6         U  40  -4.150 -32.409   3.189
  432   1H5*    C  41          1H5*        C  41  -9.673 -34.407   3.282
  433   2H5*    C  41          2H5*        C  41 -10.774 -35.769   3.578
  434    H4*    C  41           H4*        C  41 -11.183 -35.182   1.341
  435    H3*    C  41           H3*        C  41  -9.274 -37.510   1.504
  436    H2*    C  41           H2*        C  41  -8.879 -37.453  -0.781
  437   2HO*    C  41          2HO*        C  41 -10.486 -36.296  -2.171
  438    H1*    C  41           H1*        C  41  -9.418 -34.708  -1.237
  439   1H4     C  41          1H4         C  41  -3.172 -35.287  -2.250
  440   2H4     C  41          2H4         C  41  -2.888 -35.591  -0.551
  441    H5     C  41           H5         C  41  -4.657 -35.770   1.073
  442    H6     C  41           H6         C  41  -7.085 -35.716   1.416
  443   1H5*    C  42          1H5*        C  42 -12.334 -37.513  -1.295
  444   2H5*    C  42          2H5*        C  42 -13.414 -38.920  -1.323
  445    H4*    C  42           H4*        C  42 -13.080 -38.302  -3.592
  446    H3*    C  42           H3*        C  42 -11.423 -40.699  -2.798
  447    H2*    C  42           H2*        C  42 -10.427 -40.768  -4.927
  448   2HO*    C  42          2HO*        C  42 -12.057 -38.789  -6.051
  449    H1*    C  42           H1*        C  42 -10.182 -38.058  -5.343
  450   1H4     C  42          1H4         C  42  -4.493 -39.782  -3.069
  451   2H4     C  42          2H4         C  42  -5.157 -39.958  -1.460
  452    H5     C  42           H5         C  42  -7.492 -39.680  -0.958
  453    H6     C  42           H6         C  42  -9.703 -39.179  -1.886
  454   1H5*    U  43          1H5*        U  43 -12.495 -40.990  -6.553
  455   2H5*    U  43          2H5*        U  43 -13.181 -42.552  -7.043
  456    H4*    U  43           H4*        U  43 -11.263 -41.850  -8.456
  457    H3*    U  43           H3*        U  43 -11.072 -44.372  -6.830
  458    H2*    U  43           H2*        U  43  -8.826 -44.579  -7.210
  459   2HO*    U  43          2HO*        U  43  -8.636 -45.010  -9.276
  460    H1*    U  43           H1*        U  43  -8.420 -41.885  -8.281
  461    H3     U  43           H3         U  43  -4.524 -42.431  -6.092
  462    H5     U  43           H5         U  43  -7.424 -42.572  -3.033
  463    H6     U  43           H6         U  43  -9.136 -42.527  -4.752
  464    H3T    U  43           H3T        U  43 -11.809 -45.158  -8.637
  465   1H5*    G  44          1H5*        G  44  -8.781  43.588   3.412
  466   2H5*    G  44          2H5*        G  44  -9.374  41.920   3.281
  467    H4*    G  44           H4*        G  44  -9.439  42.704   1.075
  468    H3*    G  44           H3*        G  44  -7.012  41.038   1.613
  469    H2*    G  44           H2*        G  44  -5.933  41.629  -0.379
  470   2HO*    G  44          2HO*        G  44  -8.314  42.811  -1.381
  471    H1*    G  44           H1*        G  44  -6.628  44.252  -0.553
  472    H8     G  44           H8         G  44  -6.100  44.121   3.061
  473    H1     G  44           H1         G  44  -0.568  43.327  -0.061
  474   1H2     G  44          1H2         G  44  -0.959  42.894  -2.202
  475   2H2     G  44          2H2         G  44  -2.576  42.802  -2.861
  476    H5T    G  44           H5T        G  44  -7.595  41.665   4.433
  477   1H5*    G  45          1H5*        G  45  -7.476  40.499  -2.029
  478   2H5*    G  45          2H5*        G  45  -7.637  38.835  -2.625
  479    H4*    G  45           H4*        G  45  -5.783  39.998  -3.735
  480    H3*    G  45           H3*        G  45  -5.086  37.690  -1.918
  481    H2*    G  45           H2*        G  45  -2.804  38.058  -2.229
  482   2HO*    G  45          2HO*        G  45  -2.076  39.371  -4.063
  483    H1*    G  45           H1*        G  45  -2.877  40.841  -2.626
  484    H8     G  45           H8         G  45  -4.718  40.051   0.539
  485    H1     G  45           H1         G  45   1.636  39.875   1.268
  486   1H2     G  45          1H2         G  45   2.633  39.919  -0.723
  487   2H2     G  45          2H2         G  45   1.733  39.988  -2.220
  488   1H5*    G  46          1H5*        G  46  -3.053  37.246  -5.198
  489   2H5*    G  46          2H5*        G  46  -3.274  35.802  -6.208
  490    H4*    G  46           H4*        G  46  -0.935  36.044  -5.981
  491    H3*    G  46           H3*        G  46  -2.032  33.951  -4.107
  492    H2*    G  46           H2*        G  46   0.039  33.677  -3.077
  493   2HO*    G  46          2HO*        G  46   1.691  35.035  -4.764
  494    H1*    G  46           H1*        G  46   1.045  36.278  -3.424
  495    H8     G  46           H8         G  46  -2.447  35.926  -1.855
  496    H1     G  46           H1         G  46   2.393  35.824   2.333
  497   1H2     G  46          1H2         G  46   4.325  35.751   1.254
  498   2H2     G  46          2H2         G  46   4.428  35.726  -0.491
  499   1H5*    A  47          1H5*        A  47   1.704  32.845  -6.161
  500   2H5*    A  47          2H5*        A  47   1.615  31.161  -6.712
  501    H4*    A  47           H4*        A  47   3.736  31.661  -5.535
  502    H3*    A  47           H3*        A  47   1.840  29.631  -4.366
  503    H2*    A  47           H2*        A  47   3.158  29.373  -2.458
  504   2HO*    A  47          2HO*        A  47   5.308  29.553  -2.463
  505    H1*    A  47           H1*        A  47   4.175  31.965  -2.270
  506    H8     A  47           H8         A  47   0.378  31.533  -2.790
  507   1H6     A  47          1H6         A  47  -0.030  31.756   3.369
  508   2H6     A  47          2H6         A  47  -0.929  31.700   1.869
  509    H2     A  47           H2         A  47   4.329  31.704   2.272
  510   1H5*    U  48          1H5*        U  48   5.718  27.729  -4.045
  511   2H5*    U  48          2H5*        U  48   5.458  25.980  -4.201
  512    H4*    U  48           H4*        U  48   6.375  26.853  -1.963
  513    H3*    U  48           H3*        U  48   4.064  24.958  -2.267
  514    H2*    U  48           H2*        U  48   3.473  25.101  -0.028
  515   2HO*    U  48          2HO*        U  48   5.379  24.488   0.898
  516    H1*    U  48           H1*        U  48   4.439  27.681   0.555
  517    H3     U  48           H3         U  48   0.081  28.077   1.671
  518    H5     U  48           H5         U  48   0.031  27.742  -2.530
  519    H6     U  48           H6         U  48   2.413  27.294  -2.458
  520   1H5*    A  49          1H5*        A  49   7.283  24.161  -0.029
  521   2H5*    A  49          2H5*        A  49   8.657  23.059  -0.258
  522    H4*    A  49           H4*        A  49   8.189  23.432   2.125
  523    H3*    A  49           H3*        A  49   8.440  20.857   0.946
  524    H2*    A  49           H2*        A  49   6.317  20.053   1.444
  525   2HO*    A  49          2HO*        A  49   7.147  18.792   2.953
  526    H1*    A  49           H1*        A  49   5.992  21.876   3.812
  527    H8     A  49           H8         A  49   4.277  21.373   0.340
  528   1H6     A  49          1H6         A  49  -0.876  20.489   3.641
  529   2H6     A  49          2H6         A  49  -0.204  20.571   2.030
  530    H2     A  49           H2         A  49   2.506  21.183   6.513
  531   1H5*    U  50          1H5*        U  50  11.004  19.031   6.307
  532   2H5*    U  50          2H5*        U  50  10.387  18.078   4.941
  533    H4*    U  50           H4*        U  50   9.069  17.900   7.100
  534    H3*    U  50           H3*        U  50   8.011  18.284   4.413
  535    H2*    U  50           H2*        U  50   6.463  19.902   4.914
  536   2HO*    U  50          2HO*        U  50   4.829  19.142   6.568
  537    H1*    U  50           H1*        U  50   6.649  19.578   7.876
  538    H3     U  50           H3         U  50   8.014  24.312   7.826
  539    H5     U  50           H5         U  50   4.407  23.538   5.784
  540    H6     U  50           H6         U  50   4.932  21.172   5.889
  541   1H5*    G  51          1H5*        G  51   4.165  18.120   7.859
  542   2H5*    G  51          2H5*        G  51   4.302  16.626   8.810
  543    H4*    G  51           H4*        G  51   2.059  16.585   8.287
  544    H3*    G  51           H3*        G  51   3.583  15.034   6.242
  545    H2*    G  51           H2*        G  51   1.859  14.971   4.683
  546   2HO*    G  51          2HO*        G  51   0.103  14.243   5.633
  547    H1*    G  51           H1*        G  51   0.635  17.389   5.141
  548    H8     G  51           H8         G  51   4.299  18.119   5.192
  549    H1     G  51           H1         G  51   2.069  17.265  -0.746
  550   1H2     G  51          1H2         G  51   0.026  16.418  -0.678
  551   2H2     G  51          2H2         G  51  -0.794  16.061   0.822
  552   1H5*    G  52          1H5*        G  52   3.203  11.134   4.920
  553   2H5*    G  52          2H5*        G  52   3.367  12.899   4.803
  554    H4*    G  52           H4*        G  52   0.722  11.737   4.064
  555    H3*    G  52           H3*        G  52   3.236  11.173   2.504
  556    H2*    G  52           H2*        G  52   2.228  11.821   0.484
  557   2HO*    G  52          2HO*        G  52  -0.266  12.315   0.854
  558    H1*    G  52           H1*        G  52   0.741  13.934   1.402
  559    H8     G  52           H8         G  52   3.814  14.590   3.254
  560    H1     G  52           H1         G  52   4.760  15.430  -3.021
  561   1H2     G  52          1H2         G  52   3.075  14.541  -4.168
  562   2H2     G  52          2H2         G  52   1.724  13.747  -3.392
  563   1H5*    A  53          1H5*        A  53   0.490   8.053   1.006
  564   2H5*    A  53          2H5*        A  53   1.367   6.557   0.628
  565    H4*    A  53           H4*        A  53   0.317   7.790  -1.341
  566    H3*    A  53           H3*        A  53   3.227   7.001  -1.261
  567    H2*    A  53           H2*        A  53   3.630   8.062  -3.311
  568   2HO*    A  53          2HO*        A  53   0.945   7.482  -3.718
  569    H1*    A  53           H1*        A  53   1.883  10.201  -3.025
  570    H8     A  53           H8         A  53   3.623  10.141   0.229
  571   1H6     A  53          1H6         A  53   8.547  12.676  -2.510
  572   2H6     A  53          2H6         A  53   7.797  12.281  -0.980
  573    H2     A  53           H2         A  53   5.739  11.279  -5.730
  574   1H5*    A  54          1H5*        A  54   2.194   5.358  -4.965
  575   2H5*    A  54          2H5*        A  54   2.696   3.657  -5.044
  576    H4*    A  54           H4*        A  54   3.696   4.927  -6.873
  577    H3*    A  54           H3*        A  54   5.621   3.989  -4.732
  578    H2*    A  54           H2*        A  54   7.394   4.955  -5.940
  579   2HO*    A  54          2HO*        A  54   5.610   4.768  -8.124
  580    H1*    A  54           H1*        A  54   6.021   7.188  -6.868
  581    H8     A  54           H8         A  54   5.299   6.655  -3.190
  582   1H6     A  54          1H6         A  54  10.574   9.661  -2.053
  583   2H6     A  54          2H6         A  54   9.122   8.990  -1.347
  584    H2     A  54           H2         A  54  10.367   8.851  -6.468
  585   1H5*    G  55          1H5*        G  55   6.937   2.468  -8.398
  586   2H5*    G  55          2H5*        G  55   7.460   0.772  -8.396
  587    H4*    G  55           H4*        G  55   9.244   2.076  -9.320
  588    H3*    G  55           H3*        G  55   9.800   1.210  -6.472
  589    H2*    G  55           H2*        G  55  11.891   2.310  -6.574
  590   2HO*    G  55          2HO*        G  55  13.006   2.246  -8.351
  591    H1*    G  55           H1*        G  55  11.071   4.498  -8.040
  592    H8     G  55           H8         G  55   8.688   3.360  -5.243
  593    H1     G  55           H1         G  55  13.332   7.316  -3.334
  594   1H2     G  55          1H2         G  55  14.748   7.691  -4.996
  595   2H2     G  55          2H2         G  55  14.553   6.962  -6.574
  596   1H5*    A  56          1H5*        A  56  12.906   0.491  -8.788
  597   2H5*    A  56          2H5*        A  56  13.748  -1.069  -8.709
  598    H4*    A  56           H4*        A  56  15.350   0.737  -8.461
  599    H3*    A  56           H3*        A  56  14.830  -0.856  -5.943
  600    H2*    A  56           H2*        A  56  16.298   0.516  -4.761
  601   2HO*    A  56          2HO*        A  56  17.638   0.469  -7.109
  602    H1*    A  56           H1*        A  56  15.923   2.874  -6.283
  603    H8     A  56           H8         A  56  12.750   1.292  -4.859
  604   1H6     A  56          1H6         A  56  13.757   4.716   0.170
  605   2H6     A  56          2H6         A  56  12.635   3.654  -0.648
  606    H2     A  56           H2         A  56  17.362   5.091  -2.499
  607   1H5*    A  57          1H5*        A  57  19.316  -1.104  -6.636
  608   2H5*    A  57          2H5*        A  57  19.711  -2.802  -6.297
  609    H4*    A  57           H4*        A  57  21.170  -1.306  -5.028
  610    H3*    A  57           H3*        A  57  19.176  -2.916  -3.422
  611    H2*    A  57           H2*        A  57  19.947  -1.922  -1.442
  612   2HO*    A  57          2HO*        A  57  22.246  -1.111  -2.920
  613    H1*    A  57           H1*        A  57  20.485   0.612  -2.462
  614    H8     A  57           H8         A  57  17.131  -1.011  -3.442
  615   1H6     A  57          1H6         A  57  14.807   1.850   1.514
  616   2H6     A  57          2H6         A  57  14.432   0.893   0.099
  617    H2     A  57           H2         A  57  19.259   2.480   1.515
  618   1H5*    C  58          1H5*        C  58  23.258  -3.477  -1.652
  619   2H5*    C  58          2H5*        C  58  23.379  -5.196  -1.227
  620    H4*    C  58           H4*        C  58  24.013  -3.770   0.664
  621    H3*    C  58           H3*        C  58  21.459  -5.364   0.982
  622    H2*    C  58           H2*        C  58  21.166  -4.454   3.127
  623   2HO*    C  58          2HO*        C  58  23.952  -3.996   2.989
  624    H1*    C  58           H1*        C  58  22.220  -1.920   2.608
  625   1H4     C  58          1H4         C  58  15.912  -1.069   2.601
  626   2H4     C  58          2H4         C  58  15.759  -1.964   1.105
  627    H5     C  58           H5         C  58  17.624  -2.986  -0.021
  628    H6     C  58           H6         C  58  20.027  -3.459   0.094
  629   1H5*    C  59          1H5*        C  59  23.195  -5.913   4.503
  630   2H5*    C  59          2H5*        C  59  23.013  -7.576   5.097
  631    H4*    C  59           H4*        C  59  21.898  -5.974   6.585
  632    H3*    C  59           H3*        C  59  20.120  -7.884   5.057
  633    H2*    C  59           H2*        C  59  18.226  -6.884   5.961
  634   2HO*    C  59          2HO*        C  59  18.406  -5.596   7.934
  635    H1*    C  59           H1*        C  59  19.319  -4.296   6.372
  636   1H4     C  59          1H4         C  59  14.958  -3.506   1.829
  637   2H4     C  59          2H4         C  59  15.923  -4.418   0.688
  638    H5     C  59           H5         C  59  17.997  -5.503   1.280
  639    H6     C  59           H6         C  59  19.583  -5.951   3.095
  640   1H5*    G  60          1H5*        G  60  19.527  -7.700   9.424
  641   2H5*    G  60          2H5*        G  60  19.608  -9.344  10.090
  642    H4*    G  60           H4*        G  60  17.894  -8.271  11.310
  643    H3*    G  60           H3*        G  60  16.733 -10.003   9.123
  644    H2*    G  60           H2*        G  60  14.572  -9.297   9.672
  645   2HO*    G  60          2HO*        G  60  14.223  -8.169  11.744
  646    H1*    G  60           H1*        G  60  15.192  -6.691  10.473
  647    H8     G  60           H8         G  60  16.672  -7.854   7.133
  648    H1     G  60           H1         G  60  10.822  -5.295   6.678
  649   1H2     G  60          1H2         G  60   9.991  -4.935   8.703
  650   2H2     G  60          2H2         G  60  10.872  -5.324  10.163
  651   1H5*    G  61          1H5*        G  61  14.148  -9.961  12.370
  652   2H5*    G  61          2H5*        G  61  14.001 -11.629  12.960
  653    H4*    G  61           H4*        G  61  11.791 -10.708  12.824
  654    H3*    G  61           H3*        G  61  12.409 -12.665  10.606
  655    H2*    G  61           H2*        G  61  10.354 -12.242   9.602
  656   2HO*    G  61          2HO*        G  61   9.131 -10.954  11.737
  657    H1*    G  61           H1*        G  61   9.973  -9.599  10.575
  658    H8     G  61           H8         G  61  13.120 -10.446   8.524
  659    H1     G  61           H1         G  61   8.141  -8.401   5.067
  660   1H2     G  61          1H2         G  61   6.348  -8.201   6.359
  661   2H2     G  61          2H2         G  61   6.378  -8.572   8.068
  662   1H5*    G  62          1H5*        G  62   8.342 -13.015  12.166
  663   2H5*    G  62          2H5*        G  62   8.049 -14.733  12.500
  664    H4*    G  62           H4*        G  62   6.199 -13.690  11.231
  665    H3*    G  62           H3*        G  62   7.781 -15.901   9.927
  666    H2*    G  62           H2*        G  62   6.642 -15.630   7.918
  667   2HO*    G  62          2HO*        G  62   4.546 -15.377   7.882
  668    H1*    G  62           H1*        G  62   5.956 -12.892   8.187
  669    H8     G  62           H8         G  62   9.650 -13.948   8.422
  670    H1     G  62           H1         G  62   7.692 -12.378   2.534
  671   1H2     G  62          1H2         G  62   5.493 -12.067   2.519
  672   2H2     G  62          2H2         G  62   4.511 -12.243   3.956
  673   1H5*    G  63          1H5*        G  63   6.106 -19.925   8.996
  674   2H5*    G  63          2H5*        G  63   7.495 -19.355   8.047
  675    H4*    G  63           H4*        G  63   4.560 -18.974   7.576
  676    H3*    G  63           H3*        G  63   6.928 -19.882   5.992
  677    H2*    G  63           H2*        G  63   6.348 -18.691   4.060
  678   2HO*    G  63          2HO*        G  63   4.294 -18.096   3.571
  679    H1*    G  63           H1*        G  63   5.399 -16.398   5.157
  680    H8     G  63           H8         G  63   8.166 -17.150   7.493
  681    H1     G  63           H1         G  63  10.393 -15.360   1.768
  682   1H2     G  63          1H2         G  63   8.759 -15.358   0.282
  683   2H2     G  63          2H2         G  63   7.115 -15.797   0.688
  684   1H5*    A  64          1H5*        A  64   7.644 -23.668   5.162
  685   2H5*    A  64          2H5*        A  64   8.311 -22.122   4.600
  686    H4*    A  64           H4*        A  64   8.541 -24.315   3.144
  687    H3*    A  64           H3*        A  64   8.160 -21.485   2.309
  688    H2*    A  64           H2*        A  64   7.422 -21.956   0.149
  689   2HO*    A  64          2HO*        A  64   7.923 -23.882  -0.915
  690    H1*    A  64           H1*        A  64   6.052 -24.291   0.536
  691    H8     A  64           H8         A  64   5.375 -21.870   3.394
  692   1H6     A  64          1H6         A  64   0.793 -19.616  -0.069
  693   2H6     A  64          2H6         A  64   1.544 -19.606   1.510
  694    H2     A  64           H2         A  64   3.187 -22.439  -2.621
  695   1H5*    A  65          1H5*        A  65  11.023 -19.336  -0.758
  696   2H5*    A  65          2H5*        A  65   9.646 -19.311   0.362
  697    H4*    A  65           H4*        A  65   9.600 -20.436  -2.460
  698    H3*    A  65           H3*        A  65   8.855 -17.735  -1.379
  699    H2*    A  65           H2*        A  65   6.775 -17.730  -2.425
  700   2HO*    A  65          2HO*        A  65   7.967 -19.579  -4.216
  701    H1*    A  65           H1*        A  65   6.211 -20.451  -2.403
  702    H8     A  65           H8         A  65   7.105 -20.006   1.091
  703   1H6     A  65          1H6         A  65   1.714 -17.147   2.027
  704   2H6     A  65          2H6         A  65   3.085 -17.920   2.792
  705    H2     A  65           H2         A  65   2.437 -17.321  -2.408
  706   1H5*    A  66          1H5*        A  66   9.197 -15.283  -6.163
  707   2H5*    A  66          2H5*        A  66   9.116 -14.172  -4.782
  708    H4*    A  66           H4*        A  66   7.167 -14.596  -6.788
  709    H3*    A  66           H3*        A  66   7.378 -12.918  -4.317
  710    H2*    A  66           H2*        A  66   5.058 -12.730  -4.026
  711   2HO*    A  66          2HO*        A  66   4.016 -13.905  -6.192
  712    H1*    A  66           H1*        A  66   4.281 -15.231  -4.702
  713    H8     A  66           H8         A  66   7.666 -15.289  -2.921
  714   1H6     A  66          1H6         A  66   4.439 -15.657   2.340
  715   2H6     A  66          2H6         A  66   6.039 -15.751   1.630
  716    H2     A  66           H2         A  66   1.544 -14.871  -1.024
  717   1H5*    C  67          1H5*        C  67   4.961 -10.977  -5.847
  718   2H5*    C  67          2H5*        C  67   5.009  -9.202  -5.854
  719    H4*    C  67           H4*        C  67   3.296 -10.069  -4.308
  720    H3*    C  67           H3*        C  67   5.637  -8.572  -3.119
  721    H2*    C  67           H2*        C  67   4.798  -8.921  -0.957
  722   2HO*    C  67          2HO*        C  67   2.315  -9.551  -2.208
  723    H1*    C  67           H1*        C  67   3.751 -11.463  -1.343
  724   1H4     C  67          1H4         C  67   9.324 -12.385   1.591
  725   2H4     C  67          2H4         C  67  10.194 -12.022   0.117
  726    H5     C  67           H5         C  67   9.107 -11.310  -1.915
  727    H6     C  67           H6         C  67   6.958 -10.803  -2.972
  728   1H5*    U  68          1H5*        U  68   2.721  -7.511  -1.106
  729   2H5*    U  68          2H5*        U  68   2.214  -5.812  -1.154
  730    H4*    U  68           H4*        U  68   2.281  -6.380   1.138
  731    H3*    U  68           H3*        U  68   4.772  -4.877   0.317
  732    H2*    U  68           H2*        U  68   5.636  -5.091   2.495
  733   2HO*    U  68          2HO*        U  68   4.091  -5.944   4.185
  734    H1*    U  68           H1*        U  68   4.625  -7.623   3.059
  735    H3     U  68           H3         U  68   9.069  -8.408   3.078
  736    H5     U  68           H5         U  68   8.187  -7.735  -0.987
  737    H6     U  68           H6         U  68   5.928  -7.147  -0.332
  738   1H5*    U  69          1H5*        U  69   3.099  -3.517   3.621
  739   2H5*    U  69          2H5*        U  69   2.833  -1.793   3.948
  740    H4*    U  69           H4*        U  69   3.960  -2.686   5.851
  741    H3*    U  69           H3*        U  69   5.850  -1.153   4.048
  742    H2*    U  69           H2*        U  69   7.603  -1.635   5.522
  743   2HO*    U  69          2HO*        U  69   7.024  -2.532   7.692
  744    H1*    U  69           H1*        U  69   6.701  -4.157   6.358
  745    H3     U  69           H3         U  69  10.654  -5.266   4.494
  746    H5     U  69           H5         U  69   8.410  -3.816   1.239
  747    H6     U  69           H6         U  69   6.656  -3.210   2.799
  748   1H5*    G  70          1H5*        G  70   6.300  -0.353   7.795
  749   2H5*    G  70          2H5*        G  70   6.761   1.261   8.375
  750    H4*    G  70           H4*        G  70   8.405  -0.433   9.043
  751    H3*    G  70           H3*        G  70   9.343   1.611   7.014
  752    H2*    G  70           H2*        G  70  11.433   0.581   6.982
  753   2HO*    G  70          2HO*        G  70  11.311   0.656   9.471
  754    H1*    G  70           H1*        G  70  10.536  -2.028   7.702
  755    H8     G  70           H8         G  70   9.117  -0.451   4.499
  756    H1     G  70           H1         G  70  14.564  -3.719   3.715
  757   1H2     G  70          1H2         G  70  15.384  -4.299   5.693
  758   2H2     G  70          2H2         G  70  14.591  -3.881   7.196
  759   1H5*    G  71          1H5*        G  71  12.003   1.743  10.949
  760   2H5*    G  71          2H5*        G  71  11.778   3.463  11.318
  761    H4*    G  71           H4*        G  71  14.020   3.305  11.739
  762    H3*    G  71           H3*        G  71  13.732   3.939   8.821
  763    H2*    G  71           H2*        G  71  15.984   3.482   8.350
  764   2HO*    G  71          2HO*        G  71  16.336   3.888  11.126
  765    H1*    G  71           H1*        G  71  16.364   1.310   9.947
  766    H8     G  71           H8         G  71  12.856   1.123   8.543
  767    H1     G  71           H1         G  71  17.330  -0.766   4.373
  768   1H2     G  71          1H2         G  71  19.353  -0.325   5.180
  769   2H2     G  71          2H2         G  71  19.598   0.454   6.725
  770   1H5*    U  72          1H5*        U  72  17.018   6.436   9.895
  771   2H5*    U  72          2H5*        U  72  16.700   8.086   9.323
  772    H4*    U  72           H4*        U  72  18.847   7.210   8.476
  773    H3*    U  72           H3*        U  72  16.664   7.761   6.454
  774    H2*    U  72           H2*        U  72  18.091   7.057   4.725
  775   2HO*    U  72          2HO*        U  72  20.357   6.850   5.044
  776    H1*    U  72           H1*        U  72  19.374   5.015   6.105
  777    H3     U  72           H3         U  72  17.061   3.039   2.709
  778    H5     U  72           H5         U  72  14.155   3.866   5.650
  779    H6     U  72           H6         U  72  15.846   5.101   6.879
  780   1H5*    U  73          1H5*        U  73  20.189  10.043   5.161
  781   2H5*    U  73          2H5*        U  73  19.658  11.614   4.526
  782    H4*    U  73           H4*        U  73  21.075  10.300   2.937
  783    H3*    U  73           H3*        U  73  18.233  10.965   2.108
  784    H2*    U  73           H2*        U  73  18.700   9.977   0.005
  785   2HO*    U  73          2HO*        U  73  21.068   9.206  -0.208
  786    H1*    U  73           H1*        U  73  20.136   7.832   0.988
  787    H3     U  73           H3         U  73  16.210   6.209  -0.674
  788    H5     U  73           H5         U  73  15.268   7.610   3.189
  789    H6     U  73           H6         U  73  17.486   8.591   3.302
  790   1H5*    C  74          1H5*        C  74  20.550  11.997  -0.829
  791   2H5*    C  74          2H5*        C  74  20.275  13.548  -1.642
  792    H4*    C  74           H4*        C  74  20.191  11.795  -3.290
  793    H3*    C  74           H3*        C  74  17.423  12.850  -2.637
  794    H2*    C  74           H2*        C  74  16.600  11.421  -4.326
  795   2HO*    C  74          2HO*        C  74  17.684  11.132  -6.102
  796    H1*    C  74           H1*        C  74  18.414   9.330  -3.867
  797   1H4     C  74          1H4         C  74  12.953   7.315  -1.313
  798   2H4     C  74          2H4         C  74  13.138   8.420   0.030
  799    H5     C  74           H5         C  74  14.943  10.002   0.198
  800    H6     C  74           H6         C  74  16.938  10.901  -0.907
  801   1H5*    U  75          1H5*        U  75  18.276  13.852  -6.544
  802   2H5*    U  75          2H5*        U  75  17.418  15.161  -7.379
  803    H4*    U  75           H4*        U  75  16.758  12.879  -8.152
  804    H3*    U  75           H3*        U  75  14.633  14.612  -6.861
  805    H2*    U  75           H2*        U  75  13.075  12.904  -7.196
  806   2HO*    U  75          2HO*        U  75  14.360  11.182  -8.819
  807    H1*    U  75           H1*        U  75  14.903  10.738  -7.042
  808    H3     U  75           H3         U  75  11.687   9.765  -3.999
  809    H5     U  75           H5         U  75  13.918  12.857  -2.211
  810    H6     U  75           H6         U  75  15.125  13.108  -4.302
  811   1H5*    U  76          1H5*        U  76  13.238  13.803 -10.614
  812   2H5*    U  76          2H5*        U  76  12.722  15.175 -11.616
  813    H4*    U  76           H4*        U  76  10.897  13.652 -11.601
  814    H3*    U  76           H3*        U  76  10.480  16.001  -9.764
  815    H2*    U  76           H2*        U  76   8.545  15.083  -8.866
  816   2HO*    U  76          2HO*        U  76   7.433  14.857 -10.800
  817    H1*    U  76           H1*        U  76   9.110  12.340  -9.320
  818    H3     U  76           H3         U  76   8.283  12.304  -4.885
  819    H5     U  76           H5         U  76  11.815  14.579  -5.228
  820    H6     U  76           H6         U  76  11.583  14.458  -7.640
  821   1H5*    C  77          1H5*        C  77   5.658  17.784 -11.730
  822   2H5*    C  77          2H5*        C  77   6.480  17.684 -10.160
  823    H4*    C  77           H4*        C  77   4.618  15.585 -11.325
  824    H3*    C  77           H3*        C  77   4.155  17.838  -9.401
  825    H2*    C  77           H2*        C  77   3.138  16.496  -7.811
  826   2HO*    C  77          2HO*        C  77   2.661  14.465  -9.739
  827    H1*    C  77           H1*        C  77   4.394  14.054  -8.333
  828   1H4     C  77          1H4         C  77   6.828  16.318  -2.876
  829   2H4     C  77          2H4         C  77   8.097  17.095  -3.796
  830    H5     C  77           H5         C  77   8.130  17.162  -6.203
  831    H6     C  77           H6         C  77   6.960  16.487  -8.250
  832   1H5*    C  78          1H5*        C  78  -0.692  18.853  -8.913
  833   2H5*    C  78          2H5*        C  78   0.701  19.009  -7.824
  834    H4*    C  78           H4*        C  78  -1.433  16.852  -7.767
  835    H3*    C  78           H3*        C  78  -0.938  19.304  -6.133
  836    H2*    C  78           H2*        C  78  -1.000  18.215  -4.089
  837   2HO*    C  78          2HO*        C  78  -2.185  16.320  -3.757
  838    H1*    C  78           H1*        C  78  -0.132  15.667  -4.816
  839   1H4     C  78          1H4         C  78   4.722  18.514  -1.780
  840   2H4     C  78          2H4         C  78   5.358  18.995  -3.335
  841    H5     C  78           H5         C  78   4.171  18.677  -5.403
  842    H6     C  78           H6         C  78   2.115  17.830  -6.429
  843   1H5*    U  79          1H5*        U  79  -5.451  21.092  -5.069
  844   2H5*    U  79          2H5*        U  79  -4.129  22.249  -4.823
  845    H4*    U  79           H4*        U  79  -5.677  20.710  -2.866
  846    H3*    U  79           H3*        U  79  -4.011  23.218  -2.871
  847    H2*    U  79           H2*        U  79  -3.413  22.968  -0.641
  848   2HO*    U  79          2HO*        U  79  -5.946  22.261  -0.410
  849    H1*    U  79           H1*        U  79  -3.545  20.168  -0.434
  850    H3     U  79           H3         U  79   0.670  21.457   0.795
  851    H5     U  79           H5         U  79   0.702  21.384  -3.421
  852    H6     U  79           H6         U  79  -1.703  21.056  -3.366
  853   1H5*    A  80          1H5*        A  80  -7.261  25.272   1.045
  854   2H5*    A  80          2H5*        A  80  -5.994  26.368   0.460
  855    H4*    A  80           H4*        A  80  -6.056  24.620   2.862
  856    H3*    A  80           H3*        A  80  -5.777  27.328   2.545
  857    H2*    A  80           H2*        A  80  -3.680  27.396   1.491
  858   2HO*    A  80          2HO*        A  80  -3.208  28.421   3.408
  859    H1*    A  80           H1*        A  80  -2.543  25.096   3.023
  860    H8     A  80           H8         A  80  -3.575  25.822  -0.674
  861   1H6     A  80          1H6         A  80   2.313  24.501  -1.987
  862   2H6     A  80          2H6         A  80   0.757  24.946  -2.649
  863    H2     A  80           H2         A  80   1.789  24.198   2.467
  864   1H5*    A  81          1H5*        A  81  -6.911  26.730   7.683
  865   2H5*    A  81          2H5*        A  81  -6.192  28.286   8.143
  866    H4*    A  81           H4*        A  81  -5.872  26.407   9.804
  867    H3*    A  81           H3*        A  81  -3.618  28.027   8.676
  868    H2*    A  81           H2*        A  81  -1.962  26.633   9.519
  869   2HO*    A  81          2HO*        A  81  -2.096  25.763  11.453
  870    H1*    A  81           H1*        A  81  -3.297  24.191   9.493
  871    H8     A  81           H8         A  81  -3.928  25.414   6.093
  872   1H6     A  81          1H6         A  81   1.903  24.018   4.615
  873   2H6     A  81          2H6         A  81   0.328  24.456   3.995
  874    H2     A  81           H2         A  81   1.535  23.848   9.091
  875   1H5*    G  82          1H5*        G  82  -1.831  30.565  12.124
  876   2H5*    G  82          2H5*        G  82  -1.366  31.426  10.644
  877    H4*    G  82           H4*        G  82   0.165  29.569  12.188
  878    H3*    G  82           H3*        G  82   0.635  31.270   9.755
  879    H2*    G  82           H2*        G  82   2.407  29.943   9.009
  880   2HO*    G  82          2HO*        G  82   2.774  29.583  11.685
  881    H1*    G  82           H1*        G  82   1.505  27.465   9.803
  882    H8     G  82           H8         G  82  -1.548  28.926   8.346
  883    H1     G  82           H1         G  82   2.749  27.478   3.826
  884   1H2     G  82          1H2         G  82   4.727  27.097   4.753
  885   2H2     G  82          2H2         G  82   4.987  27.188   6.481
  886   1H5*    U  83          1H5*        U  83   4.621  31.766  11.639
  887   2H5*    U  83          2H5*        U  83   4.920  33.515  11.591
  888    H4*    U  83           H4*        U  83   6.671  32.186  10.422
  889    H3*    U  83           H3*        U  83   5.040  34.224   8.924
  890    H2*    U  83           H2*        U  83   5.993  33.625   6.866
  891   2HO*    U  83          2HO*        U  83   8.099  32.805   8.489
  892    H1*    U  83           H1*        U  83   6.161  30.914   7.227
  893    H3     U  83           H3         U  83   2.905  31.593   4.104
  894    H5     U  83           H5         U  83   1.008  32.227   7.813
  895    H6     U  83           H6         U  83   3.186  32.094   8.875
  896   1H5*    C  84          1H5*        C  84   9.138  35.108   7.941
  897   2H5*    C  84          2H5*        C  84   9.444  36.857   7.929
  898    H4*    C  84           H4*        C  84  10.020  35.785   5.775
  899    H3*    C  84           H3*        C  84   7.788  37.821   5.822
  900    H2*    C  84           H2*        C  84   7.420  37.509   3.518
  901   2HO*    C  84          2HO*        C  84   9.825  36.004   3.328
  902    H1*    C  84           H1*        C  84   7.820  34.786   3.425
  903   1H4     C  84          1H4         C  84   1.507  35.531   3.850
  904   2H4     C  84          2H4         C  84   1.635  35.796   5.574
  905    H5     C  84           H5         C  84   3.739  35.914   6.737
  906    H6     C  84           H6         C  84   6.178  35.829   6.497
  907   1H5*    C  85          1H5*        C  85   9.776  38.382   2.821
  908   2H5*    C  85          2H5*        C  85  10.447  39.941   2.304
  909    H4*    C  85           H4*        C  85   9.110  39.095   0.503
  910    H3*    C  85           H3*        C  85   7.778  41.340   2.029
  911    H2*    C  85           H2*        C  85   5.890  41.167   0.663
  912   2HO*    C  85          2HO*        C  85   5.960  40.205  -1.395
  913    H1*    C  85           H1*        C  85   6.017  38.404   0.181
  914   1H4     C  85          1H4         C  85   1.177  39.187   4.231
  915   2H4     C  85          2H4         C  85   2.289  39.474   5.550
  916    H5     C  85           H5         C  85   4.680  39.588   5.260
  917    H6     C  85           H6         C  85   6.513  39.487   3.638
  918   1H5*    U  86          1H5*        U  86   7.436  41.626  -2.114
  919   2H5*    U  86          2H5*        U  86   7.712  43.257  -2.756
  920    H4*    U  86           H4*        U  86   5.624  42.222  -3.612
  921    H3*    U  86           H3*        U  86   5.441  44.723  -1.942
  922    H2*    U  86           H2*        U  86   3.119  44.675  -1.990
  923   2HO*    U  86          2HO*        U  86   2.007  44.050  -3.695
  924    H1*    U  86           H1*        U  86   2.765  41.899  -2.119
  925    H3     U  86           H3         U  86   0.638  42.907   1.741
  926    H5     U  86           H5         U  86   4.701  43.598   2.611
  927    H6     U  86           H6         U  86   5.206  43.200   0.273
  928    H3T    U  86           H3T        U  86   4.702  45.391  -4.140
  929   1HN1  NCO 101          1HN1      NCO 101 -10.797   8.909   3.538
  930   2HN1  NCO 101          2HN1      NCO 101 -10.768  10.513   3.868
  931   3HN1  NCO 101          3HN1      NCO 101 -12.082   9.848   3.152
  932   1HN2  NCO 101          1HN2      NCO 101 -11.908  11.805   5.280
  933   2HN2  NCO 101          2HN2      NCO 101 -13.497  11.408   5.259
  934   3HN2  NCO 101          3HN2      NCO 101 -12.698  11.519   6.685
  935   1HN3  NCO 101          1HN3      NCO 101 -10.328  10.717   6.618
  936   2HN3  NCO 101          2HN3      NCO 101  -9.662   9.462   5.805
  937   3HN3  NCO 101          3HN3      NCO 101 -10.315   9.223   7.287
  938   1HN4  NCO 101          1HN4      NCO 101 -12.444   6.920   5.186
  939   2HN4  NCO 101          2HN4      NCO 101 -11.301   7.132   6.340
  940   3HN4  NCO 101          3HN4      NCO 101 -10.925   7.357   4.762
  941   1HN5  NCO 101          1HN5      NCO 101 -13.981   7.972   4.663
  942   2HN5  NCO 101          2HN5      NCO 101 -14.603   9.350   5.295
  943   3HN5  NCO 101          3HN5      NCO 101 -13.877   9.378   3.828
  944   1HN6  NCO 101          1HN6      NCO 101 -12.204   9.129   8.079
  945   2HN6  NCO 101          2HN6      NCO 101 -13.312   8.119   7.421
  946   3HN6  NCO 101          3HN6      NCO 101 -13.638   9.718   7.552
  947   1HN1  NCO 102          1HN1      NCO 102  -9.035 -11.992  -2.372
  948   2HN1  NCO 102          2HN1      NCO 102 -10.515 -12.691  -2.317
  949   3HN1  NCO 102          3HN1      NCO 102  -9.362 -13.131  -1.241
  950   1HN2  NCO 102          1HN2      NCO 102  -6.522 -14.423  -2.756
  951   2HN2  NCO 102          2HN2      NCO 102  -7.399 -15.513  -1.906
  952   3HN2  NCO 102          3HN2      NCO 102  -7.409 -13.935  -1.469
  953   1HN3  NCO 102          1HN3      NCO 102  -6.905 -13.019  -4.219
  954   2HN3  NCO 102          2HN3      NCO 102  -8.036 -13.020  -5.403
  955   3HN3  NCO 102          3HN3      NCO 102  -8.175 -11.988  -4.139
  956   1HN4  NCO 102          1HN4      NCO 102 -11.160 -13.421  -4.069
  957   2HN4  NCO 102          2HN4      NCO 102 -10.170 -13.362  -5.372
  958   3HN4  NCO 102          3HN4      NCO 102 -10.831 -14.788  -4.909
  959   1HN5  NCO 102          1HN5      NCO 102  -9.602 -15.639  -1.487
  960   2HN5  NCO 102          2HN5      NCO 102 -10.920 -15.287  -2.393
  961   3HN5  NCO 102          3HN5      NCO 102  -9.890 -16.467  -2.870
  962   1HN6  NCO 102          1HN6      NCO 102  -7.488 -16.127  -4.230
  963   2HN6  NCO 102          2HN6      NCO 102  -9.000 -16.307  -4.830
  964   3HN6  NCO 102          3HN6      NCO 102  -7.971 -15.232  -5.513
  965   1HN1  NCO 103          1HN1      NCO 103  11.808 -13.784   2.578
  966   2HN1  NCO 103          2HN1      NCO 103  13.233 -13.870   1.778
  967   3HN1  NCO 103          3HN1      NCO 103  11.941 -13.152   1.074
  968   1HN2  NCO 103          1HN2      NCO 103  10.616 -11.589   1.883
  969   2HN2  NCO 103          2HN2      NCO 103  10.716 -10.603   3.187
  970   3HN2  NCO 103          3HN2      NCO 103  11.233 -10.080   1.724
  971   1HN3  NCO 103          1HN3      NCO 103  12.798 -11.002   0.301
  972   2HN3  NCO 103          2HN3      NCO 103  13.936 -10.054   1.000
  973   3HN3  NCO 103          3HN3      NCO 103  14.289 -11.606   0.613
  974   1HN4  NCO 103          1HN4      NCO 103  15.426 -11.558   2.998
  975   2HN4  NCO 103          2HN4      NCO 103  14.771 -12.657   4.020
  976   3HN4  NCO 103          3HN4      NCO 103  14.952 -13.021   2.433
  977   1HN5  NCO 103          1HN5      NCO 103  13.038 -12.793   4.877
  978   2HN5  NCO 103          2HN5      NCO 103  12.206 -11.395   5.076
  979   3HN5  NCO 103          3HN5      NCO 103  11.485 -12.684   4.370
  980   1HN6  NCO 103          1HN6      NCO 103  14.391  -9.578   3.143
  981   2HN6  NCO 103          2HN6      NCO 103  12.816  -9.129   3.170
  982   3HN6  NCO 103          3HN6      NCO 103  13.476  -9.879   4.468
  983   1HN1  NCO 104          1HN1      NCO 104  11.549  13.723   0.172
  984   2HN1  NCO 104          2HN1      NCO 104  10.266  13.593   1.181
  985   3HN1  NCO 104          3HN1      NCO 104  11.553  14.510   1.608
  986   1HN2  NCO 104          1HN2      NCO 104   9.648  15.777   2.420
  987   2HN2  NCO 104          2HN2      NCO 104  10.582  17.075   2.063
  988   3HN2  NCO 104          3HN2      NCO 104   8.977  17.107   1.737
  989   1HN3  NCO 104          1HN3      NCO 104   7.729  15.448   0.470
  990   2HN3  NCO 104          2HN3      NCO 104   8.113  14.658  -0.914
  991   3HN3  NCO 104          3HN3      NCO 104   8.498  14.003   0.538
  992   1HN4  NCO 104          1HN4      NCO 104  10.636  14.023  -1.697
  993   2HN4  NCO 104          2HN4      NCO 104   9.734  15.198  -2.394
  994   3HN4  NCO 104          3HN4      NCO 104  11.339  15.426  -2.162
  995   1HN5  NCO 104          1HN5      NCO 104  12.573  16.081   0.393
  996   2HN5  NCO 104          2HN5      NCO 104  12.165  16.841  -0.998
  997   3HN5  NCO 104          3HN5      NCO 104  11.834  17.541   0.445
  998   1HN6  NCO 104          1HN6      NCO 104   8.299  17.286  -0.736
  999   2HN6  NCO 104          2HN6      NCO 104   9.623  18.185  -0.392
 1000   3HN6  NCO 104          3HN6      NCO 104   9.525  17.385  -1.816
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   3.883 -47.112  -9.691
    2   2H5*    G   1          2H5*        G   1   4.583 -45.493  -9.485
    3    H4*    G   1           H4*        G   1   3.958 -45.944 -11.832
    4    H3*    G   1           H3*        G   1   2.673 -43.709 -10.313
    5    H2*    G   1           H2*        G   1   1.026 -43.306 -11.923
    6   2HO*    G   1          2HO*        G   1   2.964 -44.311 -13.621
    7    H1*    G   1           H1*        G   1   0.482 -45.851 -12.728
    8    H8     G   1           H8         G   1   1.052 -46.079  -9.021
    9    H1     G   1           H1         G   1  -4.693 -43.661 -10.488
   10   1H2     G   1          1H2         G   1  -4.790 -43.196 -12.655
   11   2H2     G   1          2H2         G   1  -3.445 -43.479 -13.739
   12    H5T    G   1           H5T        G   1   2.623 -46.505  -8.139
   13   1H5*    G   2          1H5*        G   2   2.334 -42.497 -13.904
   14   2H5*    G   2          2H5*        G   2   3.165 -40.970 -14.254
   15    H4*    G   2           H4*        G   2   0.840 -40.837 -14.965
   16    H3*    G   2           H3*        G   2   1.622 -39.133 -12.602
   17    H2*    G   2           H2*        G   2  -0.575 -38.459 -12.268
   18   2HO*    G   2          2HO*        G   2  -2.042 -38.963 -14.294
   19    H1*    G   2           H1*        G   2  -1.881 -40.710 -13.412
   20    H8     G   2           H8         G   2   0.489 -41.580 -10.575
   21    H1     G   2           H1         G   2  -5.335 -39.775  -8.609
   22   1H2     G   2          1H2         G   2  -6.487 -38.949 -10.315
   23   2H2     G   2          2H2         G   2  -5.828 -38.844 -11.932
   24   1H5*    G   3          1H5*        G   3  -0.529 -37.175 -15.212
   25   2H5*    G   3          2H5*        G   3   0.015 -35.674 -15.987
   26    H4*    G   3           H4*        G   3  -2.211 -35.255 -15.305
   27    H3*    G   3           H3*        G   3  -0.198 -34.050 -13.410
   28    H2*    G   3           H2*        G   3  -1.877 -33.377 -11.934
   29   2HO*    G   3          2HO*        G   3  -4.185 -33.768 -13.131
   30    H1*    G   3           H1*        G   3  -3.684 -35.463 -12.355
   31    H8     G   3           H8         G   3   0.002 -36.403 -11.749
   32    H1     G   3           H1         G   3  -3.575 -35.997  -6.455
   33   1H2     G   3          1H2         G   3  -5.582 -35.205  -6.963
   34   2H2     G   3          2H2         G   3  -6.040 -34.773  -8.593
   35   1H5*    A   4          1H5*        A   4  -3.476 -31.840 -14.223
   36   2H5*    A   4          2H5*        A   4  -3.237 -30.232 -14.934
   37    H4*    A   4           H4*        A   4  -5.016 -30.050 -13.342
   38    H3*    A   4           H3*        A   4  -2.407 -28.850 -12.442
   39    H2*    A   4           H2*        A   4  -3.216 -28.426 -10.297
   40   2HO*    A   4          2HO*        A   4  -5.310 -27.998  -9.861
   41    H1*    A   4           H1*        A   4  -4.981 -30.570 -10.042
   42    H8     A   4           H8         A   4  -1.379 -31.201 -11.306
   43   1H6     A   4          1H6         A   4  -0.060 -32.520  -5.419
   44   2H6     A   4          2H6         A   4   0.553 -32.482  -7.057
   45    H2     A   4           H2         A   4  -4.310 -31.063  -5.590
   46   1H5*    U   5          1H5*        U   5  -5.521 -26.463 -11.126
   47   2H5*    U   5          2H5*        U   5  -5.181 -24.727 -11.259
   48    H4*    U   5           H4*        U   5  -5.728 -25.473  -8.938
   49    H3*    U   5           H3*        U   5  -3.100 -24.160  -9.577
   50    H2*    U   5           H2*        U   5  -2.223 -24.586  -7.471
   51   2HO*    U   5          2HO*        U   5  -4.389 -25.308  -6.023
   52    H1*    U   5           H1*        U   5  -3.682 -26.904  -6.817
   53    H3     U   5           H3         U   5   0.470 -28.581  -6.489
   54    H5     U   5           H5         U   5   0.169 -27.527 -10.560
   55    H6     U   5           H6         U   5  -2.004 -26.560 -10.079
   56   1H5*    A   6          1H5*        A   6  -7.189 -21.609  -6.081
   57   2H5*    A   6          2H5*        A   6  -5.762 -20.681  -5.578
   58    H4*    A   6           H4*        A   6  -7.256 -22.838  -4.097
   59    H3*    A   6           H3*        A   6  -7.289 -20.107  -3.769
   60    H2*    A   6           H2*        A   6  -5.069 -19.748  -3.116
   61   2HO*    A   6          2HO*        A   6  -5.086 -19.434  -0.994
   62    H1*    A   6           H1*        A   6  -4.808 -22.311  -1.606
   63    H8     A   6           H8         A   6  -3.345 -20.479  -4.733
   64   1H6     A   6          1H6         A   6   2.152 -21.881  -2.268
   65   2H6     A   6          2H6         A   6   1.340 -21.101  -3.605
   66    H2     A   6           H2         A   6  -1.037 -23.534   0.425
   67   1H5*    U   7          1H5*        U   7  -9.245 -21.776   1.296
   68   2H5*    U   7          2H5*        U   7  -9.174 -20.020   1.542
   69    H4*    U   7           H4*        U   7  -8.302 -20.910   3.532
   70    H3*    U   7           H3*        U   7  -6.562 -19.398   2.017
   71    H2*    U   7           H2*        U   7  -5.290 -21.133   1.077
   72   2HO*    U   7          2HO*        U   7  -3.469 -21.554   2.453
   73    H1*    U   7           H1*        U   7  -5.429 -22.838   3.540
   74    H3     U   7           H3         U   7  -6.754 -26.462   0.524
   75    H5     U   7           H5         U   7  -3.257 -24.455  -0.706
   76    H6     U   7           H6         U   7  -3.770 -22.713   0.902
   77   1H5*    G   8          1H5*        G   8  -2.832 -20.357   3.976
   78   2H5*    G   8          2H5*        G   8  -3.045 -19.214   5.318
   79    H4*    G   8           H4*        G   8  -0.883 -18.720   4.719
   80    H3*    G   8           H3*        G   8  -2.731 -16.923   3.209
   81    H2*    G   8           H2*        G   8  -1.158 -16.259   1.643
   82   2HO*    G   8          2HO*        G   8   0.425 -16.266   3.799
   83    H1*    G   8           H1*        G   8   0.493 -18.496   1.568
   84    H8     G   8           H8         G   8  -2.774 -20.039   1.112
   85    H1     G   8           H1         G   8  -1.136 -16.609  -4.036
   86   1H2     G   8          1H2         G   8   0.565 -15.272  -3.548
   87   2H2     G   8          2H2         G   8   1.294 -15.223  -1.959
   88   1H5*    G   9          1H5*        G   9  -3.078 -12.624   3.547
   89   2H5*    G   9          2H5*        G   9  -3.752 -13.445   2.125
   90    H4*    G   9           H4*        G   9  -0.852 -12.772   2.693
   91    H3*    G   9           H3*        G   9  -2.923 -11.661   0.891
   92    H2*    G   9           H2*        G   9  -1.783 -11.958  -1.116
   93   2HO*    G   9          2HO*        G   9   0.124 -10.902  -0.418
   94    H1*    G   9           H1*        G   9  -0.434 -14.266  -0.679
   95    H8     G   9           H8         G   9  -3.419 -15.395   0.977
   96    H1     G   9           H1         G   9  -4.682 -14.370  -5.214
   97   1H2     G   9          1H2         G   9  -3.056 -13.156  -6.131
   98   2H2     G   9          2H2         G   9  -1.670 -12.599  -5.220
   99   1H5*    A  10          1H5*        A  10  -0.241  -8.940   0.148
  100   2H5*    A  10          2H5*        A  10  -0.513  -7.238   0.570
  101    H4*    A  10           H4*        A  10  -0.381  -7.363  -1.815
  102    H3*    A  10           H3*        A  10  -3.175  -6.981  -0.752
  103    H2*    A  10           H2*        A  10  -4.113  -7.245  -2.857
  104   2HO*    A  10          2HO*        A  10  -1.590  -6.394  -3.861
  105    H1*    A  10           H1*        A  10  -2.098  -8.848  -4.038
  106    H8     A  10           H8         A  10  -3.409 -10.488  -0.922
  107   1H6     A  10          1H6         A  10  -8.077 -12.643  -4.351
  108   2H6     A  10          2H6         A  10  -7.273 -12.730  -2.800
  109    H2     A  10           H2         A  10  -5.834  -9.623  -6.808
  110   1H5*    A  11          1H5*        A  11  -1.866  -4.069  -4.156
  111   2H5*    A  11          2H5*        A  11  -2.641  -2.518  -3.777
  112    H4*    A  11           H4*        A  11  -2.871  -3.220  -6.171
  113    H3*    A  11           H3*        A  11  -5.312  -2.756  -4.460
  114    H2*    A  11           H2*        A  11  -6.733  -3.402  -6.220
  115   2HO*    A  11          2HO*        A  11  -4.468  -2.972  -7.882
  116    H1*    A  11           H1*        A  11  -5.226  -5.468  -7.224
  117    H8     A  11           H8         A  11  -5.169  -5.414  -3.407
  118   1H6     A  11          1H6         A  11 -10.335  -8.801  -3.680
  119   2H6     A  11          2H6         A  11  -9.093  -8.156  -2.628
  120    H2     A  11           H2         A  11  -9.353  -7.424  -7.845
  121   1H5*    G  12          1H5*        G  12  -6.266   0.125  -7.616
  122   2H5*    G  12          2H5*        G  12  -6.893   1.562  -6.784
  123    H4*    G  12           H4*        G  12  -8.541   0.503  -8.331
  124    H3*    G  12           H3*        G  12  -9.191   0.639  -5.376
  125    H2*    G  12           H2*        G  12 -11.260  -0.403  -5.804
  126   2HO*    G  12          2HO*        G  12 -11.343   1.074  -7.876
  127    H1*    G  12           H1*        G  12 -10.393  -2.112  -7.817
  128    H8     G  12           H8         G  12  -7.963  -2.158  -4.909
  129    H1     G  12           H1         G  12 -13.169  -5.755  -3.944
  130   1H2     G  12          1H2         G  12 -14.667  -5.358  -5.535
  131   2H2     G  12          2H2         G  12 -14.384  -4.213  -6.825
  132   1H5*    A  13          1H5*        A  13 -12.504   2.323  -7.393
  133   2H5*    A  13          2H5*        A  13 -13.027   3.835  -6.625
  134    H4*    A  13           H4*        A  13 -14.911   2.302  -6.855
  135    H3*    A  13           H3*        A  13 -13.953   2.837  -4.040
  136    H2*    A  13           H2*        A  13 -15.551   1.353  -3.182
  137   2HO*    A  13          2HO*        A  13 -16.897   1.880  -5.610
  138    H1*    A  13           H1*        A  13 -15.546  -0.493  -5.265
  139    H8     A  13           H8         A  13 -12.074   0.576  -4.027
  140   1H6     A  13          1H6         A  13 -12.514  -4.154  -0.074
  141   2H6     A  13          2H6         A  13 -11.462  -2.916  -0.723
  142    H2     A  13           H2         A  13 -16.484  -3.692  -2.127
  143   1H5*    A  14          1H5*        A  14 -18.109   3.072  -4.379
  144   2H5*    A  14          2H5*        A  14 -18.745   4.668  -3.932
  145    H4*    A  14           H4*        A  14 -20.256   3.119  -2.985
  146    H3*    A  14           H3*        A  14 -18.309   4.169  -0.935
  147    H2*    A  14           H2*        A  14 -19.163   2.729   0.708
  148   2HO*    A  14          2HO*        A  14 -21.201   2.053   0.748
  149    H1*    A  14           H1*        A  14 -19.657   0.527  -0.875
  150    H8     A  14           H8         A  14 -16.355   2.439  -1.466
  151   1H6     A  14          1H6         A  14 -13.859  -1.550   2.529
  152   2H6     A  14          2H6         A  14 -13.541  -0.240   1.413
  153    H2     A  14           H2         A  14 -18.295  -2.289   2.427
  154   1H5*    C  15          1H5*        C  15 -22.152   4.195   1.004
  155   2H5*    C  15          2H5*        C  15 -22.374   5.790   1.749
  156    H4*    C  15           H4*        C  15 -22.782   4.109   3.425
  157    H3*    C  15           H3*        C  15 -20.145   5.554   3.766
  158    H2*    C  15           H2*        C  15 -19.661   4.238   5.646
  159   2HO*    C  15          2HO*        C  15 -22.108   2.986   5.927
  160    H1*    C  15           H1*        C  15 -20.886   1.875   4.787
  161   1H4     C  15          1H4         C  15 -14.697   0.778   3.871
  162   2H4     C  15          2H4         C  15 -14.611   2.025   2.648
  163    H5     C  15           H5         C  15 -16.484   3.410   2.040
  164    H6     C  15           H6         C  15 -18.835   3.926   2.499
  165   1H5*    C  16          1H5*        C  16 -21.691   5.394   7.321
  166   2H5*    C  16          2H5*        C  16 -21.566   6.839   8.345
  167    H4*    C  16           H4*        C  16 -20.417   5.006   9.428
  168    H3*    C  16           H3*        C  16 -18.604   7.135   8.282
  169    H2*    C  16           H2*        C  16 -16.721   5.915   8.911
  170   2HO*    C  16          2HO*        C  16 -17.608   4.001  10.535
  171    H1*    C  16           H1*        C  16 -17.865   3.330   8.772
  172   1H4     C  16          1H4         C  16 -13.757   3.453   3.936
  173   2H4     C  16          2H4         C  16 -14.670   4.710   3.128
  174    H5     C  16           H5         C  16 -16.646   5.723   4.075
  175    H6     C  16           H6         C  16 -18.147   5.775   6.015
  176   1H5*    G  17          1H5*        G  17 -18.002   6.418  12.890
  177   2H5*    G  17          2H5*        G  17 -17.795   8.058  13.536
  178    H4*    G  17           H4*        G  17 -16.172   6.584  14.566
  179    H3*    G  17           H3*        G  17 -15.021   8.555  12.583
  180    H2*    G  17           H2*        G  17 -12.877   7.671  12.923
  181   2HO*    G  17          2HO*        G  17 -13.402   5.993  15.038
  182    H1*    G  17           H1*        G  17 -13.608   5.009  13.314
  183    H8     G  17           H8         G  17 -15.268   6.704  10.320
  184    H1     G  17           H1         G  17  -9.533   4.167   9.028
  185   1H2     G  17          1H2         G  17  -8.553   3.509  10.913
  186   2H2     G  17          2H2         G  17  -9.308   3.696  12.479
  187   1H5*    G  18          1H5*        G  18 -12.450   7.989  15.555
  188   2H5*    G  18          2H5*        G  18 -11.986   9.493  16.373
  189    H4*    G  18           H4*        G  18  -9.997   8.212  15.819
  190    H3*    G  18           H3*        G  18 -10.392  10.740  14.206
  191    H2*    G  18           H2*        G  18  -8.488  10.263  12.953
  192   2HO*    G  18          2HO*        G  18  -7.671   8.834  15.259
  193    H1*    G  18           H1*        G  18  -8.547   7.431  13.238
  194    H8     G  18           H8         G  18 -11.664   8.995  11.692
  195    H1     G  18           H1         G  18  -7.015   7.723   7.483
  196   1H2     G  18          1H2         G  18  -5.152   7.162   8.554
  197   2H2     G  18          2H2         G  18  -5.058   7.098  10.299
  198   1H5*    G  19          1H5*        G  19  -6.428  10.243  14.875
  199   2H5*    G  19          2H5*        G  19  -5.847  11.542  15.938
  200    H4*    G  19           H4*        G  19  -4.206  11.379  14.257
  201    H3*    G  19           H3*        G  19  -6.119  13.638  13.683
  202    H2*    G  19           H2*        G  19  -5.173  14.016  11.599
  203   2HO*    G  19          2HO*        G  19  -3.096  14.283  11.633
  204    H1*    G  19           H1*        G  19  -4.169  11.404  11.113
  205    H8     G  19           H8         G  19  -7.915  12.059  11.817
  206    H1     G  19           H1         G  19  -6.310  11.861   5.622
  207   1H2     G  19          1H2         G  19  -4.107  11.692   5.414
  208   2H2     G  19          2H2         G  19  -3.036  11.627   6.796
  209   1H5*    G  20          1H5*        G  20  -5.342  17.879  13.869
  210   2H5*    G  20          2H5*        G  20  -6.716  17.274  12.923
  211    H4*    G  20           H4*        G  20  -3.790  17.340  12.212
  212    H3*    G  20           H3*        G  20  -6.340  18.361  11.002
  213    H2*    G  20           H2*        G  20  -5.709  17.780   8.818
  214   2HO*    G  20          2HO*        G  20  -3.708  18.456   8.482
  215    H1*    G  20           H1*        G  20  -4.496  15.391   9.306
  216    H8     G  20           H8         G  20  -7.291  15.250  11.720
  217    H1     G  20           H1         G  20  -9.424  14.744   5.709
  218   1H2     G  20          1H2         G  20  -7.818  15.251   4.283
  219   2H2     G  20          2H2         G  20  -6.213  15.720   4.797
  220   1H5*    A  21          1H5*        A  21  -7.259  22.485  10.956
  221   2H5*    A  21          2H5*        A  21  -7.987  21.035  10.236
  222    H4*    A  21           H4*        A  21  -8.254  23.337   9.036
  223    H3*    A  21           H3*        A  21  -7.727  20.665   7.822
  224    H2*    A  21           H2*        A  21  -7.027  21.481   5.751
  225   2HO*    A  21          2HO*        A  21  -8.023  23.099   4.846
  226    H1*    A  21           H1*        A  21  -5.744  23.777   6.483
  227    H8     A  21           H8         A  21  -5.079  20.910   8.929
  228   1H6     A  21          1H6         A  21  -0.223  19.532   5.388
  229   2H6     A  21          2H6         A  21  -1.048  19.197   6.893
  230    H2     A  21           H2         A  21  -2.620  22.687   3.267
  231   1H5*    A  22          1H5*        A  22 -10.487  19.243   4.625
  232   2H5*    A  22          2H5*        A  22  -9.211  18.067   4.994
  233    H4*    A  22           H4*        A  22  -9.198  20.388   3.156
  234    H3*    A  22           H3*        A  22  -7.972  17.654   3.255
  235    H2*    A  22           H2*        A  22  -5.981  18.320   2.254
  236   2HO*    A  22          2HO*        A  22  -6.410  20.785   1.351
  237    H1*    A  22           H1*        A  22  -5.793  20.924   3.180
  238    H8     A  22           H8         A  22  -6.407  19.483   6.392
  239   1H6     A  22          1H6         A  22  -0.903  16.690   6.276
  240   2H6     A  22          2H6         A  22  -2.251  17.173   7.280
  241    H2     A  22           H2         A  22  -1.865  18.024   2.090
  242   1H5*    A  23          1H5*        A  23  -8.412  16.654  -2.099
  243   2H5*    A  23          2H5*        A  23  -8.285  15.276  -0.988
  244    H4*    A  23           H4*        A  23  -6.347  16.231  -2.830
  245    H3*    A  23           H3*        A  23  -6.516  14.001  -0.842
  246    H2*    A  23           H2*        A  23  -4.202  13.833  -0.541
  247   2HO*    A  23          2HO*        A  23  -4.039  14.117  -3.038
  248    H1*    A  23           H1*        A  23  -3.492  16.453  -0.642
  249    H8     A  23           H8         A  23  -6.848  16.059   1.129
  250   1H6     A  23          1H6         A  23  -3.584  15.193   6.310
  251   2H6     A  23          2H6         A  23  -5.188  15.448   5.653
  252    H2     A  23           H2         A  23  -0.714  15.218   2.833
  253   1H5*    C  24          1H5*        C  24  -4.280  12.134  -3.182
  254   2H5*    C  24          2H5*        C  24  -4.561  10.393  -3.384
  255    H4*    C  24           H4*        C  24  -2.658  10.985  -1.844
  256    H3*    C  24           H3*        C  24  -4.984   9.321  -0.867
  257    H2*    C  24           H2*        C  24  -4.059   9.233   1.285
  258   2HO*    C  24          2HO*        C  24  -1.600  10.373   0.667
  259    H1*    C  24           H1*        C  24  -2.934  11.777   1.343
  260   1H4     C  24          1H4         C  24  -8.312  12.213   4.728
  261   2H4     C  24          2H4         C  24  -9.263  12.230   3.259
  262    H5     C  24           H5         C  24  -8.307  11.963   1.062
  263    H6     C  24           H6         C  24  -6.236  11.607  -0.198
  264   1H5*    U  25          1H5*        U  25  -1.944   7.884   0.776
  265   2H5*    U  25          2H5*        U  25  -1.548   6.180   0.483
  266    H4*    U  25           H4*        U  25  -1.497   6.534   2.850
  267    H3*    U  25           H3*        U  25  -3.947   5.041   1.906
  268    H2*    U  25           H2*        U  25  -4.832   5.029   4.067
  269   2HO*    U  25          2HO*        U  25  -3.209   5.636   5.853
  270    H1*    U  25           H1*        U  25  -3.657   7.422   5.000
  271    H3     U  25           H3         U  25  -8.047   8.273   5.622
  272    H5     U  25           H5         U  25  -7.613   8.219   1.429
  273    H6     U  25           H6         U  25  -5.319   7.492   1.742
  274   1H5*    U  26          1H5*        U  26  -2.280   3.669   5.132
  275   2H5*    U  26          2H5*        U  26  -1.569   2.044   5.210
  276    H4*    U  26           H4*        U  26  -2.602   2.180   7.275
  277    H3*    U  26           H3*        U  26  -4.590   0.973   5.349
  278    H2*    U  26           H2*        U  26  -6.254   1.007   6.982
  279   2HO*    U  26          2HO*        U  26  -4.484   1.571   9.095
  280    H1*    U  26           H1*        U  26  -5.459   3.313   8.343
  281    H3     U  26           H3         U  26  -9.470   4.719   6.881
  282    H5     U  26           H5         U  26  -7.380   3.905   3.314
  283    H6     U  26           H6         U  26  -5.539   3.075   4.659
  284   1H5*    G  27          1H5*        G  27  -4.872  -0.710   8.923
  285   2H5*    G  27          2H5*        G  27  -5.242  -2.445   8.992
  286    H4*    G  27           H4*        G  27  -6.952  -1.100  10.145
  287    H3*    G  27           H3*        G  27  -7.837  -2.537   7.627
  288    H2*    G  27           H2*        G  27  -9.974  -1.649   7.902
  289   2HO*    G  27          2HO*        G  27 -10.892  -1.348   9.831
  290    H1*    G  27           H1*        G  27  -9.195   0.700   9.312
  291    H8     G  27           H8         G  27  -7.796   0.050   5.779
  292    H1     G  27           H1         G  27 -13.276   3.351   5.971
  293   1H2     G  27          1H2         G  27 -14.057   3.392   8.048
  294   2H2     G  27          2H2         G  27 -13.230   2.610   9.376
  295   1H5*    G  28          1H5*        G  28 -10.282  -4.081  11.464
  296   2H5*    G  28          2H5*        G  28 -10.171  -5.827  11.166
  297    H4*    G  28           H4*        G  28 -12.401  -5.468  11.848
  298    H3*    G  28           H3*        G  28 -12.169  -5.744   8.859
  299    H2*    G  28           H2*        G  28 -14.442  -5.222   8.546
  300   2HO*    G  28          2HO*        G  28 -15.909  -5.822   9.936
  301    H1*    G  28           H1*        G  28 -14.686  -3.241  10.405
  302    H8     G  28           H8         G  28 -11.302  -3.235   8.600
  303    H1     G  28           H1         G  28 -15.902  -0.010   5.530
  304   1H2     G  28          1H2         G  28 -17.846  -0.292   6.569
  305   2H2     G  28          2H2         G  28 -18.017  -1.294   7.993
  306   1H5*    U  29          1H5*        U  29 -15.718  -8.017   9.482
  307   2H5*    U  29          2H5*        U  29 -15.420  -9.590   8.714
  308    H4*    U  29           H4*        U  29 -17.464  -8.571   7.836
  309    H3*    U  29           H3*        U  29 -15.138  -8.782   5.914
  310    H2*    U  29           H2*        U  29 -16.389  -7.723   4.250
  311   2HO*    U  29          2HO*        U  29 -18.875  -7.656   5.332
  312    H1*    U  29           H1*        U  29 -17.937  -6.067   5.913
  313    H3     U  29           H3         U  29 -15.768  -3.121   3.248
  314    H5     U  29           H5         U  29 -12.738  -4.667   5.742
  315    H6     U  29           H6         U  29 -14.360  -6.243   6.620
  316   1H5*    U  30          1H5*        U  30 -18.987 -10.164   4.237
  317   2H5*    U  30          2H5*        U  30 -18.701 -11.645   3.303
  318    H4*    U  30           H4*        U  30 -20.065 -10.005   2.056
  319    H3*    U  30           H3*        U  30 -17.322 -10.670   0.964
  320    H2*    U  30           H2*        U  30 -17.670  -9.181  -0.819
  321   2HO*    U  30          2HO*        U  30 -20.215  -8.401  -0.548
  322    H1*    U  30           H1*        U  30 -19.118  -7.254   0.572
  323    H3     U  30           H3         U  30 -15.374  -4.992  -0.537
  324    H5     U  30           H5         U  30 -14.056  -7.761   2.356
  325    H6     U  30           H6         U  30 -16.272  -8.751   2.322
  326   1H5*    C  31          1H5*        C  31 -20.058 -10.975  -2.229
  327   2H5*    C  31          2H5*        C  31 -19.547 -12.177  -3.431
  328    H4*    C  31           H4*        C  31 -19.714  -9.818  -4.297
  329    H3*    C  31           H3*        C  31 -17.076 -11.298  -4.444
  330    H2*    C  31           H2*        C  31 -16.093  -9.424  -5.436
  331   2HO*    C  31          2HO*        C  31 -18.560  -9.174  -6.536
  332    H1*    C  31           H1*        C  31 -17.671  -7.462  -4.163
  333   1H4     C  31          1H4         C  31 -11.943  -6.920  -1.468
  334   2H4     C  31          2H4         C  31 -12.159  -8.436  -0.622
  335    H5     C  31           H5         C  31 -14.089  -9.850  -0.919
  336    H6     C  31           H6         C  31 -16.207 -10.134  -2.119
  337   1H5*    U  32          1H5*        U  32 -17.809 -10.362  -8.760
  338   2H5*    U  32          2H5*        U  32 -17.442 -11.878  -9.606
  339    H4*    U  32           H4*        U  32 -16.137 -10.040 -10.546
  340    H3*    U  32           H3*        U  32 -14.626 -12.175  -9.043
  341    H2*    U  32           H2*        U  32 -12.609 -11.019  -9.286
  342   2HO*    U  32          2HO*        U  32 -13.592  -9.157 -11.140
  343    H1*    U  32           H1*        U  32 -13.584  -8.418  -9.159
  344    H3     U  32           H3         U  32 -11.054  -8.549  -5.441
  345    H5     U  32           H5         U  32 -14.195 -11.215  -4.581
  346    H6     U  32           H6         U  32 -14.989 -10.908  -6.853
  347   1H5*    U  33          1H5*        U  33 -12.952 -11.028 -12.784
  348   2H5*    U  33          2H5*        U  33 -12.268 -12.343 -13.761
  349    H4*    U  33           H4*        U  33 -10.710 -10.432 -13.513
  350    H3*    U  33           H3*        U  33  -9.938 -13.123 -12.397
  351    H2*    U  33           H2*        U  33  -8.014 -12.263 -11.413
  352   2HO*    U  33          2HO*        U  33  -8.182 -10.338 -13.477
  353    H1*    U  33           H1*        U  33  -8.880  -9.614 -10.986
  354    H3     U  33           H3         U  33  -7.805 -10.847  -6.775
  355    H5     U  33           H5         U  33 -11.137 -13.249  -7.704
  356    H6     U  33           H6         U  33 -11.048 -12.388  -9.972
  357   1H5*    C  34          1H5*        C  34  -5.225 -14.127 -14.255
  358   2H5*    C  34          2H5*        C  34  -6.242 -14.284 -12.809
  359    H4*    C  34           H4*        C  34  -4.459 -11.885 -13.289
  360    H3*    C  34           H3*        C  34  -3.709 -14.572 -12.184
  361    H2*    C  34           H2*        C  34  -2.786 -13.691 -10.246
  362   2HO*    C  34          2HO*        C  34  -2.131 -11.615 -11.969
  363    H1*    C  34           H1*        C  34  -4.275 -11.317 -10.032
  364   1H4     C  34          1H4         C  34  -6.250 -15.235  -5.379
  365   2H4     C  34          2H4         C  34  -7.560 -15.736  -6.423
  366    H5     C  34           H5         C  34  -7.735 -15.076  -8.731
  367    H6     C  34           H6         C  34  -6.696 -13.788 -10.537
  368   1H5*    C  35          1H5*        C  35   1.170 -15.094 -12.209
  369   2H5*    C  35          2H5*        C  35   0.110 -15.978 -11.090
  370    H4*    C  35           H4*        C  35   1.893 -13.605 -10.548
  371    H3*    C  35           H3*        C  35   1.710 -16.421  -9.572
  372    H2*    C  35           H2*        C  35   1.888 -15.879  -7.313
  373   2HO*    C  35          2HO*        C  35   3.574 -14.038  -8.258
  374    H1*    C  35           H1*        C  35   0.572 -13.472  -7.247
  375   1H4     C  35          1H4         C  35  -3.619 -17.992  -5.494
  376   2H4     C  35          2H4         C  35  -4.247 -17.975  -7.126
  377    H5     C  35           H5         C  35  -3.239 -16.726  -8.917
  378    H6     C  35           H6         C  35  -1.395 -15.237  -9.540
  379   1H5*    U  36          1H5*        U  36   5.565 -19.082 -10.473
  380   2H5*    U  36          2H5*        U  36   3.891 -18.696 -10.024
  381    H4*    U  36           H4*        U  36   6.259 -18.389  -8.150
  382    H3*    U  36           H3*        U  36   4.505 -20.772  -8.672
  383    H2*    U  36           H2*        U  36   4.000 -21.072  -6.433
  384   2HO*    U  36          2HO*        U  36   5.599 -21.148  -5.088
  385    H1*    U  36           H1*        U  36   4.380 -18.431  -5.500
  386    H3     U  36           H3         U  36   0.218 -19.908  -4.231
  387    H5     U  36           H5         U  36  -0.212 -18.414  -8.151
  388    H6     U  36           H6         U  36   2.208 -18.258  -8.282
  389   1H5*    A  37          1H5*        A  37   7.234 -21.842  -4.753
  390   2H5*    A  37          2H5*        A  37   7.706 -23.410  -5.435
  391    H4*    A  37           H4*        A  37   6.422 -23.172  -3.089
  392    H3*    A  37           H3*        A  37   7.022 -25.345  -4.671
  393    H2*    A  37           H2*        A  37   5.055 -25.460  -5.941
  394   2HO*    A  37          2HO*        A  37   4.062 -27.163  -5.183
  395    H1*    A  37           H1*        A  37   3.269 -24.572  -3.714
  396    H8     A  37           H8         A  37   4.456 -23.321  -7.220
  397   1H6     A  37          1H6         A  37  -1.570 -22.894  -8.495
  398   2H6     A  37          2H6         A  37   0.050 -22.652  -9.106
  399    H2     A  37           H2         A  37  -1.153 -24.435  -4.292
  400   1H5*    A  38          1H5*        A  38   7.910 -26.490   0.443
  401   2H5*    A  38          2H5*        A  38   8.114 -28.225   0.121
  402    H4*    A  38           H4*        A  38   6.946 -27.875   2.238
  403    H3*    A  38           H3*        A  38   5.466 -29.177  -0.023
  404    H2*    A  38           H2*        A  38   3.406 -29.085   1.058
  405   2HO*    A  38          2HO*        A  38   4.089 -28.355   3.580
  406    H1*    A  38           H1*        A  38   3.718 -26.750   2.521
  407    H8     A  38           H8         A  38   4.882 -26.001  -0.961
  408   1H6     A  38          1H6         A  38  -1.049 -25.254  -2.512
  409   2H6     A  38          2H6         A  38   0.610 -25.042  -3.026
  410    H2     A  38           H2         A  38  -0.913 -27.078   1.595
  411   1H5*    G  39          1H5*        G  39   3.336 -33.605   2.424
  412   2H5*    G  39          2H5*        G  39   3.401 -32.706   0.894
  413    H4*    G  39           H4*        G  39   2.215 -31.704   3.506
  414    H3*    G  39           H3*        G  39   0.986 -32.999   1.107
  415    H2*    G  39           H2*        G  39  -0.604 -31.334   0.774
  416   2HO*    G  39          2HO*        G  39  -0.739 -29.736   2.753
  417    H1*    G  39           H1*        G  39   0.776 -29.112   1.645
  418    H8     G  39           H8         G  39   3.283 -30.813  -0.464
  419    H1     G  39           H1         G  39  -1.361 -28.176  -3.995
  420   1H2     G  39          1H2         G  39  -3.071 -27.608  -2.700
  421   2H2     G  39          2H2         G  39  -3.072 -27.877  -0.972
  422   1H5*    U  40          1H5*        U  40  -2.802 -32.439   3.664
  423   2H5*    U  40          2H5*        U  40  -3.405 -34.108   3.611
  424    H4*    U  40           H4*        U  40  -5.069 -32.384   2.870
  425    H3*    U  40           H3*        U  40  -4.234 -34.660   1.101
  426    H2*    U  40           H2*        U  40  -5.349 -33.809  -0.767
  427   2HO*    U  40          2HO*        U  40  -6.784 -31.755   0.075
  428    H1*    U  40           H1*        U  40  -4.993 -31.108  -0.350
  429    H3     U  40           H3         U  40  -2.533 -31.941  -4.066
  430    H5     U  40           H5         U  40  -0.208 -33.485  -0.908
  431    H6     U  40           H6         U  40  -2.071 -33.054   0.587
  432   1H5*    C  41          1H5*        C  41  -8.049 -34.060   0.746
  433   2H5*    C  41          2H5*        C  41  -9.272 -35.332   0.938
  434    H4*    C  41           H4*        C  41  -9.692 -34.280  -1.164
  435    H3*    C  41           H3*        C  41  -8.340 -36.968  -1.428
  436    H2*    C  41           H2*        C  41  -8.184 -36.720  -3.744
  437   2HO*    C  41          2HO*        C  41  -9.601 -34.620  -4.424
  438    H1*    C  41           H1*        C  41  -7.898 -33.934  -3.843
  439   1H4     C  41          1H4         C  41  -2.081 -36.178  -5.080
  440   2H4     C  41          2H4         C  41  -1.902 -36.728  -3.430
  441    H5     C  41           H5         C  41  -3.649 -36.554  -1.782
  442    H6     C  41           H6         C  41  -5.954 -35.831  -1.366
  443   1H5*    C  42          1H5*        C  42 -11.351 -36.312  -4.103
  444   2H5*    C  42          2H5*        C  42 -12.681 -37.487  -4.076
  445    H4*    C  42           H4*        C  42 -12.236 -37.023  -6.369
  446    H3*    C  42           H3*        C  42 -11.128 -39.681  -5.469
  447    H2*    C  42           H2*        C  42 -10.139 -40.044  -7.569
  448   2HO*    C  42          2HO*        C  42 -11.795 -37.937  -8.545
  449    H1*    C  42           H1*        C  42  -9.344 -37.462  -8.104
  450   1H4     C  42          1H4         C  42  -4.126 -40.171  -5.676
  451   2H4     C  42          2H4         C  42  -4.822 -40.145  -4.072
  452    H5     C  42           H5         C  42  -7.060 -39.395  -3.616
  453    H6     C  42           H6         C  42  -9.125 -38.513  -4.597
  454   1H5*    U  43          1H5*        U  43 -12.216 -39.901  -9.207
  455   2H5*    U  43          2H5*        U  43 -13.209 -41.300  -9.663
  456    H4*    U  43           H4*        U  43 -11.187 -41.105 -11.063
  457    H3*    U  43           H3*        U  43 -11.473 -43.499  -9.266
  458    H2*    U  43           H2*        U  43  -9.304 -44.146  -9.602
  459   2HO*    U  43          2HO*        U  43  -9.460 -44.716 -11.707
  460    H1*    U  43           H1*        U  43  -8.396 -41.652 -10.833
  461    H3     U  43           H3         U  43  -4.673 -42.668  -8.537
  462    H5     U  43           H5         U  43  -7.613 -42.308  -5.532
  463    H6     U  43           H6         U  43  -9.269 -42.036  -7.286
  464    H3T    U  43           H3T        U  43 -11.970 -42.746 -11.876
  465   1H5*    G  44          1H5*        G  44  -7.876  45.159  -0.816
  466   2H5*    G  44          2H5*        G  44  -7.941  43.386  -0.900
  467    H4*    G  44           H4*        G  44  -7.752  44.435  -3.135
  468    H3*    G  44           H3*        G  44  -5.676  42.540  -2.124
  469    H2*    G  44           H2*        G  44  -4.112  43.025  -3.791
  470   2HO*    G  44          2HO*        G  44  -6.244  43.171  -5.313
  471    H1*    G  44           H1*        G  44  -4.502  45.700  -4.096
  472    H8     G  44           H8         G  44  -4.870  45.259  -0.422
  473    H1     G  44           H1         G  44   1.231  44.690  -2.290
  474   1H2     G  44          1H2         G  44   1.334  44.534  -4.502
  475   2H2     G  44          2H2         G  44  -0.092  44.565  -5.514
  476    H5T    G  44           H5T        G  44  -6.526  44.171   0.730
  477   1H5*    G  45          1H5*        G  45  -5.075  41.869  -5.624
  478   2H5*    G  45          2H5*        G  45  -5.562  40.270  -6.220
  479    H4*    G  45           H4*        G  45  -3.285  40.612  -6.872
  480    H3*    G  45           H3*        G  45  -3.614  38.700  -4.561
  481    H2*    G  45           H2*        G  45  -1.314  38.541  -4.278
  482   2HO*    G  45          2HO*        G  45  -0.383  39.619  -6.602
  483    H1*    G  45           H1*        G  45  -0.585  41.066  -5.360
  484    H8     G  45           H8         G  45  -3.021  41.323  -2.472
  485    H1     G  45           H1         G  45   3.087  40.740  -0.626
  486   1H2     G  45          1H2         G  45   4.355  40.211  -2.370
  487   2H2     G  45          2H2         G  45   3.704  40.011  -3.981
  488   1H5*    G  46          1H5*        G  46  -0.983  37.565  -7.335
  489   2H5*    G  46          2H5*        G  46  -1.190  36.005  -8.156
  490    H4*    G  46           H4*        G  46   1.135  36.225  -7.656
  491    H3*    G  46           H3*        G  46  -0.325  34.314  -5.839
  492    H2*    G  46           H2*        G  46   1.567  34.002  -4.507
  493   2HO*    G  46          2HO*        G  46   3.173  35.149  -6.562
  494    H1*    G  46           H1*        G  46   2.682  36.544  -4.728
  495    H8     G  46           H8         G  46  -1.082  36.384  -3.952
  496    H1     G  46           H1         G  46   2.711  36.292   1.207
  497   1H2     G  46          1H2         G  46   4.830  36.118   0.581
  498   2H2     G  46          2H2         G  46   5.313  36.022  -1.097
  499   1H5*    A  47          1H5*        A  47   3.337  33.217  -6.925
  500   2H5*    A  47          2H5*        A  47   3.594  31.645  -7.709
  501    H4*    A  47           H4*        A  47   5.341  31.951  -6.092
  502    H3*    A  47           H3*        A  47   3.231  29.959  -5.271
  503    H2*    A  47           H2*        A  47   4.210  29.683  -3.173
  504   2HO*    A  47          2HO*        A  47   6.522  30.716  -3.040
  505    H1*    A  47           H1*        A  47   5.288  32.255  -2.863
  506    H8     A  47           H8         A  47   1.574  31.921  -3.836
  507   1H6     A  47          1H6         A  47   0.425  32.220   2.222
  508   2H6     A  47          2H6         A  47  -0.283  32.185   0.623
  509    H2     A  47           H2         A  47   4.883  32.015   1.672
  510   1H5*    U  48          1H5*        U  48   6.938  28.231  -4.175
  511   2H5*    U  48          2H5*        U  48   6.844  26.467  -4.350
  512    H4*    U  48           H4*        U  48   7.238  27.377  -1.993
  513    H3*    U  48           H3*        U  48   5.087  25.398  -2.704
  514    H2*    U  48           H2*        U  48   4.089  25.545  -0.619
  515   2HO*    U  48          2HO*        U  48   6.166  25.005   0.393
  516    H1*    U  48           H1*        U  48   4.960  28.142   0.119
  517    H3     U  48           H3         U  48   0.501  28.530   0.684
  518    H5     U  48           H5         U  48   0.963  28.130  -3.486
  519    H6     U  48           H6         U  48   3.319  27.687  -3.118
  520   1H5*    A  49          1H5*        A  49   8.443  22.687  -0.071
  521   2H5*    A  49          2H5*        A  49   6.673  22.817  -0.107
  522    H4*    A  49           H4*        A  49   8.151  22.839   2.516
  523    H3*    A  49           H3*        A  49   8.271  20.602   0.766
  524    H2*    A  49           H2*        A  49   6.139  19.764   1.097
  525   2HO*    A  49          2HO*        A  49   7.249  18.282   2.341
  526    H1*    A  49           H1*        A  49   5.805  21.022   3.796
  527    H8     A  49           H8         A  49   4.298  20.950   0.194
  528   1H6     A  49          1H6         A  49  -1.153  20.558   3.068
  529   2H6     A  49          2H6         A  49  -0.343  20.576   1.519
  530    H2     A  49           H2         A  49   2.041  20.917   6.211
  531   1H5*    U  50          1H5*        U  50   9.839  20.324   6.495
  532   2H5*    U  50          2H5*        U  50   9.570  18.578   6.321
  533    H4*    U  50           H4*        U  50   8.628  19.197   8.417
  534    H3*    U  50           H3*        U  50   6.992  18.015   6.542
  535    H2*    U  50           H2*        U  50   5.864  19.937   5.788
  536   2HO*    U  50          2HO*        U  50   4.459  19.574   8.233
  537    H1*    U  50           H1*        U  50   5.803  21.186   8.516
  538    H3     U  50           H3         U  50   7.438  25.240   6.318
  539    H5     U  50           H5         U  50   4.048  23.580   4.442
  540    H6     U  50           H6         U  50   4.388  21.567   5.755
  541   1H5*    G  51          1H5*        G  51   2.909  18.682   8.123
  542   2H5*    G  51          2H5*        G  51   3.009  17.289   9.218
  543    H4*    G  51           H4*        G  51   1.047  16.793   8.130
  544    H3*    G  51           H3*        G  51   3.286  15.544   6.563
  545    H2*    G  51           H2*        G  51   1.917  15.041   4.752
  546   2HO*    G  51          2HO*        G  51  -0.241  14.639   4.934
  547    H1*    G  51           H1*        G  51   0.116  17.156   4.913
  548    H8     G  51           H8         G  51   3.698  18.364   5.164
  549    H1     G  51           H1         G  51   1.762  17.346  -0.850
  550   1H2     G  51          1H2         G  51  -0.195  16.311  -0.854
  551   2H2     G  51          2H2         G  51  -1.027  15.869   0.618
  552   1H5*    G  52          1H5*        G  52   2.560  11.119   5.430
  553   2H5*    G  52          2H5*        G  52   3.597  12.061   4.339
  554    H4*    G  52           H4*        G  52   0.619  11.608   4.217
  555    H3*    G  52           H3*        G  52   2.956  11.080   2.418
  556    H2*    G  52           H2*        G  52   1.851  11.822   0.487
  557   2HO*    G  52          2HO*        G  52  -0.622  11.868   1.888
  558    H1*    G  52           H1*        G  52   0.486  13.941   1.502
  559    H8     G  52           H8         G  52   3.550  14.451   3.399
  560    H1     G  52           H1         G  52   4.584  15.461  -2.839
  561   1H2     G  52          1H2         G  52   2.898  14.642  -4.027
  562   2H2     G  52          2H2         G  52   1.526  13.847  -3.289
  563   1H5*    A  53          1H5*        A  53   0.228   7.689   0.956
  564   2H5*    A  53          2H5*        A  53   1.309   6.287   0.849
  565    H4*    A  53           H4*        A  53   0.220   7.057  -1.326
  566    H3*    A  53           H3*        A  53   3.179   6.630  -0.996
  567    H2*    A  53           H2*        A  53   3.654   7.499  -3.103
  568   2HO*    A  53          2HO*        A  53   1.107   6.521  -3.678
  569    H1*    A  53           H1*        A  53   1.580   9.356  -3.313
  570    H8     A  53           H8         A  53   3.075  10.062  -0.007
  571   1H6     A  53          1H6         A  53   7.729  12.918  -2.892
  572   2H6     A  53          2H6         A  53   6.948  12.635  -1.353
  573    H2     A  53           H2         A  53   5.381  10.641  -5.976
  574   1H5*    A  54          1H5*        A  54   2.146   5.113  -4.630
  575   2H5*    A  54          2H5*        A  54   2.545   3.397  -4.844
  576    H4*    A  54           H4*        A  54   3.315   4.633  -6.777
  577    H3*    A  54           H3*        A  54   5.479   3.616  -4.935
  578    H2*    A  54           H2*        A  54   7.142   4.642  -6.241
  579   2HO*    A  54          2HO*        A  54   6.792   5.301  -8.366
  580    H1*    A  54           H1*        A  54   5.782   6.950  -6.900
  581    H8     A  54           H8         A  54   5.247   5.990  -3.245
  582   1H6     A  54          1H6         A  54  10.406   9.173  -2.052
  583   2H6     A  54          2H6         A  54   9.041   8.334  -1.351
  584    H2     A  54           H2         A  54   9.971   8.867  -6.513
  585   1H5*    G  55          1H5*        G  55   6.738   1.886  -8.668
  586   2H5*    G  55          2H5*        G  55   7.452   0.291  -8.357
  587    H4*    G  55           H4*        G  55   9.057   1.953  -9.315
  588    H3*    G  55           H3*        G  55   9.627   0.813  -6.564
  589    H2*    G  55           H2*        G  55  11.617   2.060  -6.509
  590   2HO*    G  55          2HO*        G  55  12.117   3.146  -8.746
  591    H1*    G  55           H1*        G  55  10.677   4.266  -7.965
  592    H8     G  55           H8         G  55   8.375   3.253  -5.101
  593    H1     G  55           H1         G  55  13.342   6.868  -3.308
  594   1H2     G  55          1H2         G  55  14.756   7.105  -5.007
  595   2H2     G  55          2H2         G  55  14.473   6.368  -6.568
  596   1H5*    A  56          1H5*        A  56  12.882   0.602  -8.642
  597   2H5*    A  56          2H5*        A  56  13.565  -1.007  -8.949
  598    H4*    A  56           H4*        A  56  15.433   0.230  -8.307
  599    H3*    A  56           H3*        A  56  14.330  -1.155  -5.854
  600    H2*    A  56           H2*        A  56  15.946  -0.105  -4.525
  601   2HO*    A  56          2HO*        A  56  17.378   0.194  -6.957
  602    H1*    A  56           H1*        A  56  16.123   2.299  -5.954
  603    H8     A  56           H8         A  56  12.650   0.935  -4.951
  604   1H6     A  56          1H6         A  56  13.194   4.555   0.020
  605   2H6     A  56          2H6         A  56  12.134   3.489  -0.874
  606    H2     A  56           H2         A  56  17.081   4.708  -2.238
  607   1H5*    A  57          1H5*        A  57  18.743  -1.873  -6.330
  608   2H5*    A  57          2H5*        A  57  19.079  -3.550  -5.857
  609    H4*    A  57           H4*        A  57  20.605  -1.964  -4.746
  610    H3*    A  57           H3*        A  57  18.658  -3.484  -3.000
  611    H2*    A  57           H2*        A  57  19.478  -2.381  -1.098
  612   2HO*    A  57          2HO*        A  57  21.482  -1.194  -1.184
  613    H1*    A  57           H1*        A  57  19.951   0.096  -2.257
  614    H8     A  57           H8         A  57  16.606  -1.621  -3.107
  615   1H6     A  57          1H6         A  57  14.321   1.450   1.739
  616   2H6     A  57          2H6         A  57  13.939   0.418   0.380
  617    H2     A  57           H2         A  57  18.771   2.116   1.649
  618   1H5*    C  58          1H5*        C  58  22.628  -4.109  -1.170
  619   2H5*    C  58          2H5*        C  58  22.722  -5.828  -0.740
  620    H4*    C  58           H4*        C  58  23.259  -4.440   1.193
  621    H3*    C  58           H3*        C  58  20.630  -5.933   1.352
  622    H2*    C  58           H2*        C  58  20.251  -5.014   3.482
  623   2HO*    C  58          2HO*        C  58  23.049  -4.757   3.501
  624    H1*    C  58           H1*        C  58  21.396  -2.513   3.017
  625   1H4     C  58          1H4         C  58  15.137  -1.494   2.598
  626   2H4     C  58          2H4         C  58  15.058  -2.371   1.086
  627    H5     C  58           H5         C  58  16.964  -3.445   0.084
  628    H6     C  58           H6         C  58  19.337  -3.994   0.356
  629   1H5*    C  59          1H5*        C  59  22.282  -6.549   4.836
  630   2H5*    C  59          2H5*        C  59  22.006  -8.142   5.567
  631    H4*    C  59           H4*        C  59  20.960  -6.367   6.899
  632    H3*    C  59           H3*        C  59  19.077  -8.273   5.488
  633    H2*    C  59           H2*        C  59  17.255  -7.101   6.345
  634   2HO*    C  59          2HO*        C  59  17.443  -6.953   8.453
  635    H1*    C  59           H1*        C  59  18.518  -4.566   6.546
  636   1H4     C  59          1H4         C  59  14.109  -3.904   2.019
  637   2H4     C  59          2H4         C  59  14.994  -4.964   0.944
  638    H5     C  59           H5         C  59  17.035  -6.089   1.581
  639    H6     C  59           H6         C  59  18.633  -6.472   3.399
  640   1H5*    G  60          1H5*        G  60  18.648  -8.117  10.033
  641   2H5*    G  60          2H5*        G  60  18.483  -9.792  10.593
  642    H4*    G  60           H4*        G  60  16.943  -8.441  11.846
  643    H3*    G  60           H3*        G  60  15.612 -10.155   9.742
  644    H2*    G  60           H2*        G  60  13.521  -9.256  10.298
  645   2HO*    G  60          2HO*        G  60  14.161  -7.809  12.528
  646    H1*    G  60           H1*        G  60  14.354  -6.672  10.929
  647    H8     G  60           H8         G  60  15.823  -8.018   7.680
  648    H1     G  60           H1         G  60  10.027  -5.383   7.005
  649   1H2     G  60          1H2         G  60   9.154  -4.952   8.998
  650   2H2     G  60          2H2         G  60   9.993  -5.312  10.491
  651   1H5*    G  61          1H5*        G  61  13.063  -9.731  12.863
  652   2H5*    G  61          2H5*        G  61  12.878 -11.314  13.644
  653    H4*    G  61           H4*        G  61  10.692 -10.391  13.486
  654    H3*    G  61           H3*        G  61  11.206 -12.492  11.378
  655    H2*    G  61           H2*        G  61   9.138 -12.086  10.392
  656   2HO*    G  61          2HO*        G  61   7.724 -10.613  12.036
  657    H1*    G  61           H1*        G  61   8.857  -9.369  11.119
  658    H8     G  61           H8         G  61  12.032 -10.466   9.246
  659    H1     G  61           H1         G  61   7.211  -8.634   5.459
  660   1H2     G  61          1H2         G  61   5.382  -8.288   6.667
  661   2H2     G  61          2H2         G  61   5.347  -8.510   8.402
  662   1H5*    G  62          1H5*        G  62   7.110 -12.638  12.823
  663   2H5*    G  62          2H5*        G  62   6.823 -14.319  13.313
  664    H4*    G  62           H4*        G  62   5.005 -13.468  11.887
  665    H3*    G  62           H3*        G  62   6.717 -15.707  10.813
  666    H2*    G  62           H2*        G  62   5.650 -15.634   8.751
  667   2HO*    G  62          2HO*        G  62   3.451 -14.145   9.678
  668    H1*    G  62           H1*        G  62   4.861 -12.909   8.782
  669    H8     G  62           H8         G  62   8.568 -13.855   9.237
  670    H1     G  62           H1         G  62   6.821 -12.740   3.181
  671   1H2     G  62          1H2         G  62   4.624 -12.463   3.060
  672   2H2     G  62          2H2         G  62   3.588 -12.549   4.467
  673   1H5*    G  63          1H5*        G  63   5.332 -19.803  10.058
  674   2H5*    G  63          2H5*        G  63   6.842 -19.253   9.303
  675    H4*    G  63           H4*        G  63   3.996 -18.766   8.478
  676    H3*    G  63           H3*        G  63   6.511 -19.752   7.174
  677    H2*    G  63           H2*        G  63   6.126 -18.590   5.181
  678   2HO*    G  63          2HO*        G  63   4.172 -18.723   4.430
  679    H1*    G  63           H1*        G  63   5.007 -16.292   6.169
  680    H8     G  63           H8         G  63   7.666 -16.739   8.640
  681    H1     G  63           H1         G  63  10.144 -15.361   2.904
  682   1H2     G  63          1H2         G  63   8.597 -15.569   1.336
  683   2H2     G  63          2H2         G  63   6.954 -16.049   1.696
  684   1H5*    A  64          1H5*        A  64   6.054 -23.859   5.831
  685   2H5*    A  64          2H5*        A  64   7.625 -23.316   6.453
  686    H4*    A  64           H4*        A  64   8.481 -23.953   4.483
  687    H3*    A  64           H3*        A  64   7.143 -21.390   3.812
  688    H2*    A  64           H2*        A  64   6.852 -21.819   1.547
  689   2HO*    A  64          2HO*        A  64   9.118 -23.440   1.909
  690    H1*    A  64           H1*        A  64   6.477 -24.528   1.524
  691    H8     A  64           H8         A  64   4.404 -23.661   4.404
  692   1H6     A  64          1H6         A  64   0.138 -21.371   0.587
  693   2H6     A  64          2H6         A  64   0.479 -21.873   2.229
  694    H2     A  64           H2         A  64   3.898 -22.006  -1.782
  695   1H5*    A  65          1H5*        A  65  10.765 -19.792   1.376
  696   2H5*    A  65          2H5*        A  65   9.922 -18.243   1.171
  697    H4*    A  65           H4*        A  65   9.899 -20.414  -0.591
  698    H3*    A  65           H3*        A  65   8.442 -17.818  -0.395
  699    H2*    A  65           H2*        A  65   6.562 -18.509  -1.583
  700   2HO*    A  65          2HO*        A  65   7.161 -20.878  -2.616
  701    H1*    A  65           H1*        A  65   6.377 -21.131  -0.821
  702    H8     A  65           H8         A  65   7.167 -19.700   2.438
  703   1H6     A  65          1H6         A  65   1.419 -17.467   2.737
  704   2H6     A  65          2H6         A  65   2.872 -17.825   3.644
  705    H2     A  65           H2         A  65   2.212 -18.674  -1.518
  706   1H5*    A  66          1H5*        A  66   8.656 -15.992  -5.192
  707   2H5*    A  66          2H5*        A  66   8.437 -14.810  -3.888
  708    H4*    A  66           H4*        A  66   6.518 -15.745  -5.776
  709    H3*    A  66           H3*        A  66   6.554 -13.754  -3.535
  710    H2*    A  66           H2*        A  66   4.233 -13.848  -3.194
  711   2HO*    A  66          2HO*        A  66   2.814 -14.389  -4.742
  712    H1*    A  66           H1*        A  66   3.815 -16.504  -3.521
  713    H8     A  66           H8         A  66   7.192 -16.039  -1.855
  714   1H6     A  66          1H6         A  66   4.148 -15.766   3.510
  715   2H6     A  66          2H6         A  66   5.724 -15.893   2.759
  716    H2     A  66           H2         A  66   1.112 -15.647   0.180
  717   1H5*    C  67          1H5*        C  67   4.169 -11.746  -5.479
  718   2H5*    C  67          2H5*        C  67   4.369  -9.983  -5.462
  719    H4*    C  67           H4*        C  67   2.603 -10.865  -3.897
  720    H3*    C  67           H3*        C  67   4.923  -9.237  -2.842
  721    H2*    C  67           H2*        C  67   4.123  -9.476  -0.652
  722   2HO*    C  67          2HO*        C  67   1.627 -10.122  -1.861
  723    H1*    C  67           H1*        C  67   3.050 -12.045  -0.906
  724   1H4     C  67          1H4         C  67   8.511 -12.824   2.269
  725   2H4     C  67          2H4         C  67   9.431 -12.588   0.798
  726    H5     C  67           H5         C  67   8.417 -12.008  -1.311
  727    H6     C  67           H6         C  67   6.309 -11.536  -2.467
  728   1H5*    U  68          1H5*        U  68   1.943  -8.079  -0.981
  729   2H5*    U  68          2H5*        U  68   1.444  -6.376  -1.018
  730    H4*    U  68           H4*        U  68   1.546  -6.985   1.275
  731    H3*    U  68           H3*        U  68   3.984  -5.404   0.435
  732    H2*    U  68           H2*        U  68   4.876  -5.618   2.597
  733   2HO*    U  68          2HO*        U  68   3.630  -5.427   4.274
  734    H1*    U  68           H1*        U  68   3.824  -8.152   3.187
  735    H3     U  68           H3         U  68   8.250  -8.956   3.441
  736    H5     U  68           H5         U  68   7.588  -8.294  -0.669
  737    H6     U  68           H6         U  68   5.299  -7.695  -0.136
  738   1H5*    U  69          1H5*        U  69   2.336  -4.152   3.718
  739   2H5*    U  69          2H5*        U  69   1.905  -2.466   4.066
  740    H4*    U  69           H4*        U  69   3.101  -3.191   5.965
  741    H3*    U  69           H3*        U  69   4.950  -1.660   4.115
  742    H2*    U  69           H2*        U  69   6.708  -2.034   5.615
  743   2HO*    U  69          2HO*        U  69   5.960  -3.005   7.807
  744    H1*    U  69           H1*        U  69   5.879  -4.552   6.536
  745    H3     U  69           H3         U  69   9.880  -5.598   4.739
  746    H5     U  69           H5         U  69   7.620  -4.321   1.422
  747    H6     U  69           H6         U  69   5.835  -3.721   2.949
  748   1H5*    G  70          1H5*        G  70   5.404  -0.770   7.718
  749   2H5*    G  70          2H5*        G  70   5.681   0.870   8.339
  750    H4*    G  70           H4*        G  70   7.510  -0.533   9.036
  751    H3*    G  70           H3*        G  70   8.249   1.383   6.810
  752    H2*    G  70           H2*        G  70  10.408   0.510   6.806
  753   2HO*    G  70          2HO*        G  70  10.887  -0.881   8.880
  754    H1*    G  70           H1*        G  70   9.731  -2.079   7.805
  755    H8     G  70           H8         G  70   8.183  -0.883   4.487
  756    H1     G  70           H1         G  70  13.717  -4.062   3.943
  757   1H2     G  70          1H2         G  70  14.583  -4.411   5.956
  758   2H2     G  70          2H2         G  70  13.800  -3.861   7.422
  759   1H5*    G  71          1H5*        G  71  10.935   1.680  10.808
  760   2H5*    G  71          2H5*        G  71  10.723   3.426  11.047
  761    H4*    G  71           H4*        G  71  12.949   3.201  11.593
  762    H3*    G  71           H3*        G  71  12.763   3.815   8.658
  763    H2*    G  71           H2*        G  71  15.033   3.360   8.285
  764   2HO*    G  71          2HO*        G  71  15.950   2.910  10.797
  765    H1*    G  71           H1*        G  71  15.339   1.194   9.905
  766    H8     G  71           H8         G  71  11.906   1.159   8.258
  767    H1     G  71           H1         G  71  16.558  -1.110   4.491
  768   1H2     G  71          1H2         G  71  18.535  -0.805   5.459
  769   2H2     G  71          2H2         G  71  18.710  -0.015   7.011
  770   1H5*    U  72          1H5*        U  72  16.283   6.064   9.951
  771   2H5*    U  72          2H5*        U  72  15.962   7.742   9.467
  772    H4*    U  72           H4*        U  72  18.174   7.057   8.708
  773    H3*    U  72           H3*        U  72  16.100   7.476   6.550
  774    H2*    U  72           H2*        U  72  17.655   6.850   4.902
  775   2HO*    U  72          2HO*        U  72  19.715   7.299   5.065
  776    H1*    U  72           H1*        U  72  18.949   4.858   6.309
  777    H3     U  72           H3         U  72  16.816   2.652   2.966
  778    H5     U  72           H5         U  72  13.733   3.696   5.647
  779    H6     U  72           H6         U  72  15.352   5.001   6.899
  780   1H5*    U  73          1H5*        U  73  19.443   9.103   5.450
  781   2H5*    U  73          2H5*        U  73  19.526  10.847   5.131
  782    H4*    U  73           H4*        U  73  20.663   9.838   3.323
  783    H3*    U  73           H3*        U  73  17.823  10.513   2.509
  784    H2*    U  73           H2*        U  73  18.284   9.664   0.354
  785   2HO*    U  73          2HO*        U  73  20.299   9.447  -0.460
  786    H1*    U  73           H1*        U  73  19.766   7.484   1.161
  787    H3     U  73           H3         U  73  15.945   5.683  -0.455
  788    H5     U  73           H5         U  73  14.829   7.288   3.280
  789    H6     U  73           H6         U  73  17.031   8.300   3.424
  790   1H5*    C  74          1H5*        C  74  20.221  11.469  -0.368
  791   2H5*    C  74          2H5*        C  74  20.070  13.069  -1.121
  792    H4*    C  74           H4*        C  74  19.994  11.463  -2.883
  793    H3*    C  74           H3*        C  74  17.189  12.429  -2.233
  794    H2*    C  74           H2*        C  74  16.444  11.123  -4.072
  795   2HO*    C  74          2HO*        C  74  18.781  10.132  -5.016
  796    H1*    C  74           H1*        C  74  18.101   8.961  -3.578
  797   1H4     C  74          1H4         C  74  12.530   7.342  -0.979
  798   2H4     C  74          2H4         C  74  12.744   8.512   0.303
  799    H5     C  74           H5         C  74  14.632  10.005   0.429
  800    H6     C  74           H6         C  74  16.694  10.735  -0.675
  801   1H5*    U  75          1H5*        U  75  18.021  13.631  -6.037
  802   2H5*    U  75          2H5*        U  75  17.131  14.955  -6.819
  803    H4*    U  75           H4*        U  75  16.507  12.687  -7.662
  804    H3*    U  75           H3*        U  75  14.368  14.339  -6.285
  805    H2*    U  75           H2*        U  75  12.834  12.623  -6.699
  806   2HO*    U  75          2HO*        U  75  13.495  12.571  -8.997
  807    H1*    U  75           H1*        U  75  14.709  10.489  -6.640
  808    H3     U  75           H3         U  75  11.441   9.370  -3.675
  809    H5     U  75           H5         U  75  13.726  12.316  -1.703
  810    H6     U  75           H6         U  75  14.930  12.679  -3.779
  811   1H5*    U  76          1H5*        U  76  13.129  13.680 -10.423
  812   2H5*    U  76          2H5*        U  76  12.489  15.165 -11.153
  813    H4*    U  76           H4*        U  76  10.959  13.295 -11.521
  814    H3*    U  76           H3*        U  76  10.032  15.537  -9.742
  815    H2*    U  76           H2*        U  76   8.091  14.407  -9.134
  816   2HO*    U  76          2HO*        U  76   8.113  12.358 -10.959
  817    H1*    U  76           H1*        U  76   9.013  11.772  -9.304
  818    H3     U  76           H3         U  76   7.771  12.198  -4.962
  819    H5     U  76           H5         U  76  11.306  14.475  -5.261
  820    H6     U  76           H6         U  76  11.268  14.099  -7.658
  821   1H5*    C  77          1H5*        C  77   5.646  17.352 -11.463
  822   2H5*    C  77          2H5*        C  77   6.438  17.033  -9.907
  823    H4*    C  77           H4*        C  77   4.405  15.200 -11.225
  824    H3*    C  77           H3*        C  77   4.046  17.454  -9.287
  825    H2*    C  77           H2*        C  77   2.838  16.190  -7.763
  826   2HO*    C  77          2HO*        C  77   1.896  14.093  -8.561
  827    H1*    C  77           H1*        C  77   3.920  13.663  -8.226
  828   1H4     C  77          1H4         C  77   6.370  15.787  -2.720
  829   2H4     C  77          2H4         C  77   7.738  16.414  -3.607
  830    H5     C  77           H5         C  77   7.860  16.429  -6.009
  831    H6     C  77           H6         C  77   6.698  15.836  -8.083
  832   1H5*    C  78          1H5*        C  78  -1.266  18.207  -9.312
  833   2H5*    C  78          2H5*        C  78   0.049  18.876  -8.325
  834    H4*    C  78           H4*        C  78  -1.583  16.374  -7.808
  835    H3*    C  78           H3*        C  78  -1.358  19.058  -6.474
  836    H2*    C  78           H2*        C  78  -1.215  18.145  -4.349
  837   2HO*    C  78          2HO*        C  78  -3.127  16.565  -5.323
  838    H1*    C  78           H1*        C  78  -0.173  15.594  -5.003
  839   1H4     C  78          1H4         C  78   4.335  18.825  -1.798
  840   2H4     C  78          2H4         C  78   5.029  19.275  -3.339
  841    H5     C  78           H5         C  78   3.977  18.806  -5.449
  842    H6     C  78           H6         C  78   2.021  17.817  -6.544
  843   1H5*    U  79          1H5*        U  79  -4.221  22.023  -6.038
  844   2H5*    U  79          2H5*        U  79  -2.660  22.209  -5.214
  845    H4*    U  79           H4*        U  79  -5.209  20.959  -4.224
  846    H3*    U  79           H3*        U  79  -3.375  23.137  -3.333
  847    H2*    U  79           H2*        U  79  -3.253  22.446  -1.115
  848   2HO*    U  79          2HO*        U  79  -5.817  21.952  -1.493
  849    H1*    U  79           H1*        U  79  -3.460  19.718  -1.387
  850    H3     U  79           H3         U  79   0.717  20.964   0.164
  851    H5     U  79           H5         U  79   0.992  20.777  -4.038
  852    H6     U  79           H6         U  79  -1.424  20.559  -4.120
  853   1H5*    A  80          1H5*        A  80  -6.496  25.573  -0.236
  854   2H5*    A  80          2H5*        A  80  -5.147  26.663  -0.614
  855    H4*    A  80           H4*        A  80  -5.562  24.878   1.697
  856    H3*    A  80           H3*        A  80  -4.919  27.548   1.407
  857    H2*    A  80           H2*        A  80  -2.691  27.374   0.738
  858   2HO*    A  80          2HO*        A  80  -1.450  26.805   2.904
  859    H1*    A  80           H1*        A  80  -2.100  24.901   2.296
  860    H8     A  80           H8         A  80  -2.642  25.404  -1.505
  861   1H6     A  80          1H6         A  80   3.430  24.373  -2.005
  862   2H6     A  80          2H6         A  80   1.940  24.638  -2.881
  863    H2     A  80           H2         A  80   2.398  24.474   2.370
  864   1H5*    A  81          1H5*        A  81  -7.965  26.879   6.382
  865   2H5*    A  81          2H5*        A  81  -6.854  28.255   6.216
  866    H4*    A  81           H4*        A  81  -6.848  26.422   8.278
  867    H3*    A  81           H3*        A  81  -4.816  28.384   7.257
  868    H2*    A  81           H2*        A  81  -3.054  27.357   8.365
  869   2HO*    A  81          2HO*        A  81  -4.034  25.684  10.119
  870    H1*    A  81           H1*        A  81  -4.017  24.720   8.460
  871    H8     A  81           H8         A  81  -4.214  25.581   4.888
  872   1H6     A  81          1H6         A  81   1.897  24.767   4.494
  873   2H6     A  81          2H6         A  81   0.410  24.958   3.593
  874    H2     A  81           H2         A  81   0.802  24.928   8.851
  875   1H5*    G  82          1H5*        G  82  -2.871  31.137  10.228
  876   2H5*    G  82          2H5*        G  82  -2.405  30.968   8.523
  877    H4*    G  82           H4*        G  82  -1.133  29.792  10.981
  878    H3*    G  82           H3*        G  82  -0.260  31.502   8.695
  879    H2*    G  82           H2*        G  82   1.697  30.316   8.266
  880   2HO*    G  82          2HO*        G  82   2.394  28.721   9.999
  881    H1*    G  82           H1*        G  82   0.922  27.762   8.897
  882    H8     G  82           H8         G  82  -2.012  28.977   7.012
  883    H1     G  82           H1         G  82   3.015  28.007   3.167
  884   1H2     G  82          1H2         G  82   4.858  27.760   4.377
  885   2H2     G  82          2H2         G  82   4.852  27.829   6.125
  886   1H5*    U  83          1H5*        U  83   3.648  31.565  10.999
  887   2H5*    U  83          2H5*        U  83   3.748  33.315  11.276
  888    H4*    U  83           H4*        U  83   5.808  32.409  10.254
  889    H3*    U  83           H3*        U  83   4.169  34.446   8.777
  890    H2*    U  83           H2*        U  83   5.420  34.236   6.812
  891   2HO*    U  83          2HO*        U  83   7.454  32.635   7.792
  892    H1*    U  83           H1*        U  83   5.957  31.545   6.873
  893    H3     U  83           H3         U  83   3.078  31.991   3.391
  894    H5     U  83           H5         U  83   0.636  32.303   6.814
  895    H6     U  83           H6         U  83   2.647  32.307   8.169
  896   1H5*    C  84          1H5*        C  84   8.088  35.040   8.065
  897   2H5*    C  84          2H5*        C  84   8.710  36.682   8.328
  898    H4*    C  84           H4*        C  84   9.393  35.893   6.136
  899    H3*    C  84           H3*        C  84   7.298  38.071   6.141
  900    H2*    C  84           H2*        C  84   7.178  38.003   3.805
  901   2HO*    C  84          2HO*        C  84   8.907  36.786   2.634
  902    H1*    C  84           H1*        C  84   7.666  35.272   3.460
  903   1H4     C  84          1H4         C  84   1.411  35.896   2.518
  904   2H4     C  84          2H4         C  84   1.150  36.218   4.218
  905    H5     C  84           H5         C  84   2.940  36.392   5.819
  906    H6     C  84           H6         C  84   5.370  36.316   6.134
  907   1H5*    C  85          1H5*        C  85  10.111  38.440   3.443
  908   2H5*    C  85          2H5*        C  85  11.065  39.932   3.321
  909    H4*    C  85           H4*        C  85  10.431  39.243   1.099
  910    H3*    C  85           H3*        C  85   8.941  41.660   2.137
  911    H2*    C  85           H2*        C  85   7.694  41.771   0.151
  912   2HO*    C  85          2HO*        C  85   9.117  39.820  -1.239
  913    H1*    C  85           H1*        C  85   7.438  39.046  -0.302
  914   1H4     C  85          1H4         C  85   1.898  40.724   2.338
  915   2H4     C  85          2H4         C  85   2.654  40.856   3.909
  916    H5     C  85           H5         C  85   5.018  40.576   4.264
  917    H6     C  85           H6         C  85   7.171  40.110   3.190
  918   1H5*    U  86          1H5*        U  86   9.418  42.162  -1.692
  919   2H5*    U  86          2H5*        U  86  10.196  43.698  -2.123
  920    H4*    U  86           H4*        U  86   8.104  43.410  -3.357
  921    H3*    U  86           H3*        U  86   8.313  45.623  -1.359
  922    H2*    U  86           H2*        U  86   6.058  45.862  -1.140
  923   2HO*    U  86          2HO*        U  86   4.864  45.560  -3.369
  924    H1*    U  86           H1*        U  86   5.354  43.593  -2.911
  925    H3     U  86           H3         U  86   1.601  43.572  -0.443
  926    H5     U  86           H5         U  86   4.660  43.011   2.409
  927    H6     U  86           H6         U  86   6.278  43.369   0.635
  928    H3T    U  86           H3T        U  86   7.686  46.632  -3.551
  929   1HN1  NCO 101          1HN1      NCO 101 -12.905   8.703   6.484
  930   2HN1  NCO 101          2HN1      NCO 101 -11.421   8.975   7.119
  931   3HN1  NCO 101          3HN1      NCO 101 -11.589   8.724   5.509
  932   1HN2  NCO 101          1HN2      NCO 101 -11.239  11.591   3.832
  933   2HN2  NCO 101          2HN2      NCO 101 -10.046  11.287   4.909
  934   3HN2  NCO 101          3HN2      NCO 101 -10.881  10.047   4.240
  935   1HN3  NCO 101          1HN3      NCO 101 -10.060  10.744   7.179
  936   2HN3  NCO 101          2HN3      NCO 101 -10.429  12.340   7.180
  937   3HN3  NCO 101          3HN3      NCO 101 -11.139  11.333   8.259
  938   1HN4  NCO 101          1HN4      NCO 101 -13.415  11.974   8.042
  939   2HN4  NCO 101          2HN4      NCO 101 -14.473  11.102   7.147
  940   3HN4  NCO 101          3HN4      NCO 101 -13.397  10.339   8.119
  941   1HN5  NCO 101          1HN5      NCO 101 -13.686  11.372   4.044
  942   2HN5  NCO 101          2HN5      NCO 101 -13.579   9.778   4.404
  943   3HN5  NCO 101          3HN5      NCO 101 -14.581  10.746   5.263
  944   1HN6  NCO 101          1HN6      NCO 101 -13.385  13.203   5.445
  945   2HN6  NCO 101          2HN6      NCO 101 -11.796  13.313   5.061
  946   3HN6  NCO 101          3HN6      NCO 101 -12.277  13.497   6.615
  947   1HN1  NCO 102          1HN1      NCO 102 -11.779 -14.942  -3.709
  948   2HN1  NCO 102          2HN1      NCO 102 -10.944 -16.098  -4.514
  949   3HN1  NCO 102          3HN1      NCO 102 -10.417 -14.549  -4.530
  950   1HN2  NCO 102          1HN2      NCO 102  -9.465 -13.485  -1.086
  951   2HN2  NCO 102          2HN2      NCO 102 -10.139 -13.147  -2.539
  952   3HN2  NCO 102          3HN2      NCO 102 -11.066 -13.733  -1.325
  953   1HN3  NCO 102          1HN3      NCO 102  -8.437 -14.223  -3.923
  954   2HN3  NCO 102          2HN3      NCO 102  -7.792 -15.726  -3.834
  955   3HN3  NCO 102          3HN3      NCO 102  -7.511 -14.641  -2.639
  956   1HN4  NCO 102          1HN4      NCO 102  -8.483 -17.678  -2.765
  957   2HN4  NCO 102          2HN4      NCO 102  -9.569 -17.473  -3.971
  958   3HN4  NCO 102          3HN4      NCO 102 -10.055 -18.065  -2.524
  959   1HN5  NCO 102          1HN5      NCO 102 -11.682 -15.564  -0.750
  960   2HN5  NCO 102          2HN5      NCO 102 -12.139 -16.355  -2.109
  961   3HN5  NCO 102          3HN5      NCO 102 -11.213 -17.114  -0.991
  962   1HN6  NCO 102          1HN6      NCO 102  -8.366 -15.039  -0.393
  963   2HN6  NCO 102          2HN6      NCO 102  -7.935 -16.512  -0.963
  964   3HN6  NCO 102          3HN6      NCO 102  -9.275 -16.353  -0.037
  965   1HN1  NCO 103          1HN1      NCO 103  10.967 -12.309   4.425
  966   2HN1  NCO 103          2HN1      NCO 103  10.237 -11.615   3.134
  967   3HN1  NCO 103          3HN1      NCO 103  11.142 -12.964   2.935
  968   1HN2  NCO 103          1HN2      NCO 103  11.411  -9.670   4.851
  969   2HN2  NCO 103          2HN2      NCO 103  12.285  -8.649   3.917
  970   3HN2  NCO 103          3HN2      NCO 103  10.873  -9.260   3.360
  971   1HN3  NCO 103          1HN3      NCO 103  12.574 -10.913   0.655
  972   2HN3  NCO 103          2HN3      NCO 103  11.940  -9.528   1.256
  973   3HN3  NCO 103          3HN3      NCO 103  11.047 -10.899   1.245
  974   1HN4  NCO 103          1HN4      NCO 103  14.453 -12.675   2.869
  975   2HN4  NCO 103          2HN4      NCO 103  13.016 -13.346   2.469
  976   3HN4  NCO 103          3HN4      NCO 103  13.780 -12.358   1.410
  977   1HN5  NCO 103          1HN5      NCO 103  12.530 -11.673   5.523
  978   2HN5  NCO 103          2HN5      NCO 103  13.895 -12.284   4.858
  979   3HN5  NCO 103          3HN5      NCO 103  13.837 -10.711   5.309
  980   1HN6  NCO 103          1HN6      NCO 103  14.998 -10.183   3.381
  981   2HN6  NCO 103          2HN6      NCO 103  14.467  -9.861   1.866
  982   3HN6  NCO 103          3HN6      NCO 103  14.014  -8.903   3.115
  983   1HN1  NCO 104          1HN1      NCO 104   8.353  13.705  -0.179
  984   2HN1  NCO 104          2HN1      NCO 104   9.680  14.011  -1.089
  985   3HN1  NCO 104          3HN1      NCO 104   8.245  14.693  -1.479
  986   1HN2  NCO 104          1HN2      NCO 104  11.351  15.113  -0.628
  987   2HN2  NCO 104          2HN2      NCO 104  10.977  16.575  -1.264
  988   3HN2  NCO 104          3HN2      NCO 104  11.683  16.481   0.210
  989   1HN3  NCO 104          1HN3      NCO 104  10.210  13.857   1.367
  990   2HN3  NCO 104          2HN3      NCO 104   9.263  14.573   2.495
  991   3HN3  NCO 104          3HN3      NCO 104  10.776  15.134   2.219
  992   1HN4  NCO 104          1HN4      NCO 104   7.110  16.762   1.366
  993   2HN4  NCO 104          2HN4      NCO 104   7.557  15.388   2.138
  994   3HN4  NCO 104          3HN4      NCO 104   6.874  15.307   0.653
  995   1HN5  NCO 104          1HN5      NCO 104   8.724  16.758  -1.862
  996   2HN5  NCO 104          2HN5      NCO 104   7.550  17.244  -0.830
  997   3HN5  NCO 104          3HN5      NCO 104   8.978  18.044  -0.880
  998   1HN6  NCO 104          1HN6      NCO 104   9.159  17.473   2.393
  999   2HN6  NCO 104          2HN6      NCO 104  10.689  17.444   1.814
 1000   3HN6  NCO 104          3HN6      NCO 104   9.545  18.342   1.062
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   5.696 -46.085  -6.683
    2   2H5*    G   1          2H5*        G   1   5.999 -44.336  -6.651
    3    H4*    G   1           H4*        G   1   5.862 -45.295  -8.955
    4    H3*    G   1           H3*        G   1   4.091 -43.075  -8.026
    5    H2*    G   1           H2*        G   1   2.633 -43.195  -9.848
    6   2HO*    G   1          2HO*        G   1   4.796 -44.495 -11.143
    7    H1*    G   1           H1*        G   1   2.563 -45.887 -10.270
    8    H8     G   1           H8         G   1   2.472 -46.083  -6.661
    9    H1     G   1           H1         G   1  -2.843 -43.235  -8.816
   10   1H2     G   1          1H2         G   1  -2.573 -42.628 -10.933
   11   2H2     G   1          2H2         G   1  -1.090 -42.921 -11.814
   12    H5T    G   1           H5T        G   1   3.816 -44.006  -6.233
   13   1H5*    G   2          1H5*        G   2   4.257 -42.179 -11.457
   14   2H5*    G   2          2H5*        G   2   4.811 -40.580 -11.995
   15    H4*    G   2           H4*        G   2   2.531 -40.924 -12.737
   16    H3*    G   2           H3*        G   2   2.886 -38.905 -10.521
   17    H2*    G   2           H2*        G   2   0.590 -38.642 -10.296
   18   2HO*    G   2          2HO*        G   2  -0.819 -39.301 -12.124
   19    H1*    G   2           H1*        G   2  -0.221 -41.190 -11.259
   20    H8     G   2           H8         G   2   2.060 -41.700  -8.350
   21    H1     G   2           H1         G   2  -3.851 -39.980  -6.598
   22   1H2     G   2          1H2         G   2  -4.978 -39.235  -8.359
   23   2H2     G   2          2H2         G   2  -4.277 -39.168  -9.959
   24   1H5*    G   3          1H5*        G   3   0.587 -37.410 -13.418
   25   2H5*    G   3          2H5*        G   3   1.020 -35.899 -14.243
   26    H4*    G   3           H4*        G   3  -1.274 -35.688 -13.697
   27    H3*    G   3           H3*        G   3   0.511 -34.169 -11.809
   28    H2*    G   3           H2*        G   3  -1.262 -33.634 -10.394
   29   2HO*    G   3          2HO*        G   3  -3.431 -34.376 -11.837
   30    H1*    G   3           H1*        G   3  -2.851 -35.899 -10.784
   31    H8     G   3           H8         G   3   0.875 -36.482 -10.018
   32    H1     G   3           H1         G   3  -2.906 -36.150  -4.864
   33   1H2     G   3          1H2         G   3  -4.951 -35.547  -5.465
   34   2H2     G   3          2H2         G   3  -5.386 -35.222  -7.127
   35   1H5*    A   4          1H5*        A   4  -2.969 -32.417 -12.766
   36   2H5*    A   4          2H5*        A   4  -2.924 -30.836 -13.571
   37    H4*    A   4           H4*        A   4  -4.717 -30.730 -12.016
   38    H3*    A   4           H3*        A   4  -2.244 -29.289 -11.088
   39    H2*    A   4           H2*        A   4  -3.139 -28.880  -8.974
   40   2HO*    A   4          2HO*        A   4  -5.560 -28.993 -10.367
   41    H1*    A   4           H1*        A   4  -4.701 -31.164  -8.687
   42    H8     A   4           H8         A   4  -1.042 -31.497  -9.901
   43   1H6     A   4          1H6         A   4   0.319 -32.559  -3.974
   44   2H6     A   4          2H6         A   4   0.944 -32.501  -5.605
   45    H2     A   4           H2         A   4  -4.045 -31.494  -4.221
   46   1H5*    U   5          1H5*        U   5  -5.647 -27.173  -9.723
   47   2H5*    U   5          2H5*        U   5  -5.390 -25.429  -9.933
   48    H4*    U   5           H4*        U   5  -5.915 -26.118  -7.579
   49    H3*    U   5           H3*        U   5  -3.380 -24.655  -8.269
   50    H2*    U   5           H2*        U   5  -2.502 -24.909  -6.131
   51   2HO*    U   5          2HO*        U   5  -4.864 -25.721  -4.887
   52    H1*    U   5           H1*        U   5  -3.715 -27.330  -5.410
   53    H3     U   5           H3         U   5   0.577 -28.635  -5.179
   54    H5     U   5           H5         U   5   0.072 -27.681  -9.253
   55    H6     U   5           H6         U   5  -2.164 -26.903  -8.726
   56   1H5*    A   6          1H5*        A   6  -6.306 -23.944  -5.558
   57   2H5*    A   6          2H5*        A   6  -7.606 -22.735  -5.596
   58    H4*    A   6           H4*        A   6  -7.255 -23.738  -3.345
   59    H3*    A   6           H3*        A   6  -7.581 -20.987  -3.896
   60    H2*    A   6           H2*        A   6  -5.510 -20.210  -3.202
   61   2HO*    A   6          2HO*        A   6  -5.643 -19.553  -1.164
   62    H1*    A   6           H1*        A   6  -5.030 -22.454  -1.279
   63    H8     A   6           H8         A   6  -3.475 -21.416  -4.699
   64   1H6     A   6          1H6         A   6   1.738 -20.638  -1.473
   65   2H6     A   6          2H6         A   6   1.015 -20.591  -3.064
   66    H2     A   6           H2         A   6  -1.514 -21.783   1.406
   67   1H5*    U   7          1H5*        U   7  -9.084 -22.883   1.374
   68   2H5*    U   7          2H5*        U   7  -8.514 -21.306   1.960
   69    H4*    U   7           H4*        U   7  -7.948 -23.224   3.467
   70    H3*    U   7           H3*        U   7  -6.292 -21.084   2.854
   71    H2*    U   7           H2*        U   7  -4.837 -22.163   1.364
   72   2HO*    U   7          2HO*        U   7  -3.863 -23.227   3.821
   73    H1*    U   7           H1*        U   7  -4.993 -24.782   2.820
   74    H3     U   7           H3         U   7  -5.828 -26.803  -1.553
   75    H5     U   7           H5         U   7  -2.444 -24.290  -1.501
   76    H6     U   7           H6         U   7  -3.193 -23.436   0.644
   77   1H5*    G   8          1H5*        G   8  -4.223 -18.801   4.644
   78   2H5*    G   8          2H5*        G   8  -4.516 -19.403   3.001
   79    H4*    G   8           H4*        G   8  -1.769 -19.408   4.279
   80    H3*    G   8           H3*        G   8  -3.192 -17.158   2.891
   81    H2*    G   8           H2*        G   8  -1.405 -16.727   1.454
   82   2HO*    G   8          2HO*        G   8   0.026 -17.426   3.615
   83    H1*    G   8           H1*        G   8  -0.453 -19.298   1.101
   84    H8     G   8           H8         G   8  -4.193 -19.454   0.835
   85    H1     G   8           H1         G   8  -1.449 -17.182  -4.479
   86   1H2     G   8          1H2         G   8   0.688 -16.745  -4.108
   87   2H2     G   8          2H2         G   8   1.447 -17.013  -2.555
   88   1H5*    G   9          1H5*        G   9  -2.752 -12.972   3.729
   89   2H5*    G   9          2H5*        G   9  -3.862 -13.443   2.425
   90    H4*    G   9           H4*        G   9  -0.911 -12.947   2.349
   91    H3*    G   9           H3*        G   9  -3.312 -12.143   0.745
   92    H2*    G   9           H2*        G   9  -2.207 -12.331  -1.311
   93   2HO*    G   9          2HO*        G   9   0.069 -12.387  -1.464
   94    H1*    G   9           H1*        G   9  -0.687 -14.536  -0.843
   95    H8     G   9           H8         G   9  -3.607 -15.805   0.844
   96    H1     G   9           H1         G   9  -4.905 -15.008  -5.372
   97   1H2     G   9          1H2         G   9  -3.347 -13.726  -6.311
   98   2H2     G   9          2H2         G   9  -1.996 -13.073  -5.416
   99   1H5*    A  10          1H5*        A  10  -0.817  -8.728   0.324
  100   2H5*    A  10          2H5*        A  10  -1.598  -7.143   0.499
  101    H4*    A  10           H4*        A  10  -0.910  -7.716  -1.851
  102    H3*    A  10           H3*        A  10  -3.786  -7.103  -1.174
  103    H2*    A  10           H2*        A  10  -4.482  -7.631  -3.325
  104   2HO*    A  10          2HO*        A  10  -3.436  -6.856  -4.973
  105    H1*    A  10           H1*        A  10  -2.403  -9.439  -4.010
  106    H8     A  10           H8         A  10  -4.027 -10.801  -0.975
  107   1H6     A  10          1H6         A  10  -8.619 -12.868  -4.554
  108   2H6     A  10          2H6         A  10  -7.899 -12.930  -2.962
  109    H2     A  10           H2         A  10  -6.110 -10.062  -7.009
  110   1H5*    A  11          1H5*        A  11  -2.149  -4.391  -4.608
  111   2H5*    A  11          2H5*        A  11  -2.941  -2.818  -4.373
  112    H4*    A  11           H4*        A  11  -3.036  -3.682  -6.726
  113    H3*    A  11           H3*        A  11  -5.556  -3.070  -5.188
  114    H2*    A  11           H2*        A  11  -6.904  -3.856  -6.945
  115   2HO*    A  11          2HO*        A  11  -6.336  -3.320  -8.891
  116    H1*    A  11           H1*        A  11  -5.371  -5.995  -7.731
  117    H8     A  11           H8         A  11  -5.403  -5.746  -3.937
  118   1H6     A  11          1H6         A  11 -10.680  -8.960  -4.133
  119   2H6     A  11          2H6         A  11  -9.434  -8.305  -3.093
  120    H2     A  11           H2         A  11  -9.597  -7.813  -8.340
  121   1H5*    G  12          1H5*        G  12  -6.363  -0.408  -8.595
  122   2H5*    G  12          2H5*        G  12  -6.967   1.095  -7.871
  123    H4*    G  12           H4*        G  12  -8.608  -0.013  -9.390
  124    H3*    G  12           H3*        G  12  -9.315   0.346  -6.469
  125    H2*    G  12           H2*        G  12 -11.388  -0.697  -6.838
  126   2HO*    G  12          2HO*        G  12 -10.941   0.054  -9.528
  127    H1*    G  12           H1*        G  12 -10.546  -2.553  -8.732
  128    H8     G  12           H8         G  12  -8.141  -2.457  -5.803
  129    H1     G  12           H1         G  12 -13.429  -5.881  -4.662
  130   1H2     G  12          1H2         G  12 -14.898  -5.567  -6.300
  131   2H2     G  12          2H2         G  12 -14.576  -4.518  -7.660
  132   1H5*    A  13          1H5*        A  13 -12.386   1.124  -8.295
  133   2H5*    A  13          2H5*        A  13 -12.904   2.813  -8.461
  134    H4*    A  13           H4*        A  13 -14.928   1.845  -7.998
  135    H3*    A  13           H3*        A  13 -13.697   2.492  -5.319
  136    H2*    A  13           H2*        A  13 -15.424   1.377  -4.200
  137   2HO*    A  13          2HO*        A  13 -16.862   2.073  -6.481
  138    H1*    A  13           H1*        A  13 -15.885  -0.647  -6.055
  139    H8     A  13           H8         A  13 -12.248   0.156  -5.009
  140   1H6     A  13          1H6         A  13 -12.962  -4.377  -0.872
  141   2H6     A  13          2H6         A  13 -11.836  -3.242  -1.580
  142    H2     A  13           H2         A  13 -16.920  -3.714  -2.895
  143   1H5*    A  14          1H5*        A  14 -18.182   3.525  -5.619
  144   2H5*    A  14          2H5*        A  14 -18.321   5.092  -4.797
  145    H4*    A  14           H4*        A  14 -20.049   3.463  -4.069
  146    H3*    A  14           H3*        A  14 -18.058   4.514  -2.061
  147    H2*    A  14           H2*        A  14 -18.921   3.130  -0.380
  148   2HO*    A  14          2HO*        A  14 -20.993   2.129  -0.597
  149    H1*    A  14           H1*        A  14 -19.552   0.921  -1.927
  150    H8     A  14           H8         A  14 -16.142   2.615  -2.549
  151   1H6     A  14          1H6         A  14 -13.888  -1.443   1.517
  152   2H6     A  14          2H6         A  14 -13.493  -0.179   0.374
  153    H2     A  14           H2         A  14 -18.364  -1.900   1.446
  154   1H5*    C  15          1H5*        C  15 -22.078   4.670  -0.201
  155   2H5*    C  15          2H5*        C  15 -22.213   6.277   0.538
  156    H4*    C  15           H4*        C  15 -22.826   4.577   2.160
  157    H3*    C  15           H3*        C  15 -20.203   5.985   2.684
  158    H2*    C  15           H2*        C  15 -19.836   4.653   4.576
  159   2HO*    C  15          2HO*        C  15 -22.484   3.662   4.559
  160    H1*    C  15           H1*        C  15 -21.020   2.303   3.647
  161   1H4     C  15          1H4         C  15 -14.802   1.180   3.010
  162   2H4     C  15          2H4         C  15 -14.659   2.418   1.783
  163    H5     C  15           H5         C  15 -16.498   3.801   1.084
  164    H6     C  15           H6         C  15 -18.865   4.333   1.442
  165   1H5*    C  16          1H5*        C  16 -21.983   5.979   6.434
  166   2H5*    C  16          2H5*        C  16 -21.622   7.503   7.270
  167    H4*    C  16           H4*        C  16 -20.692   5.558   8.467
  168    H3*    C  16           H3*        C  16 -18.737   7.535   7.276
  169    H2*    C  16           H2*        C  16 -16.941   6.237   8.006
  170   2HO*    C  16          2HO*        C  16 -17.368   4.546   9.664
  171    H1*    C  16           H1*        C  16 -18.200   3.718   7.866
  172   1H4     C  16          1H4         C  16 -14.067   3.650   3.052
  173   2H4     C  16          2H4         C  16 -14.910   4.952   2.242
  174    H5     C  16           H5         C  16 -16.836   6.064   3.180
  175    H6     C  16           H6         C  16 -18.351   6.177   5.106
  176   1H5*    G  17          1H5*        G  17 -18.345   7.043  11.971
  177   2H5*    G  17          2H5*        G  17 -18.055   8.707  12.514
  178    H4*    G  17           H4*        G  17 -16.584   7.218  13.725
  179    H3*    G  17           H3*        G  17 -15.226   8.960  11.664
  180    H2*    G  17           H2*        G  17 -13.152   7.962  12.135
  181   2HO*    G  17          2HO*        G  17 -14.390   7.272  14.577
  182    H1*    G  17           H1*        G  17 -14.037   5.377  12.552
  183    H8     G  17           H8         G  17 -15.696   7.081   9.566
  184    H1     G  17           H1         G  17 -10.075   4.347   8.195
  185   1H2     G  17          1H2         G  17  -9.079   3.674  10.068
  186   2H2     G  17          2H2         G  17  -9.795   3.905  11.647
  187   1H5*    G  18          1H5*        G  18 -12.657   8.542  14.932
  188   2H5*    G  18          2H5*        G  18 -12.129  10.154  15.453
  189    H4*    G  18           H4*        G  18 -10.247   8.558  15.065
  190    H3*    G  18           H3*        G  18 -10.418  11.077  13.400
  191    H2*    G  18           H2*        G  18  -8.546  10.431  12.177
  192   2HO*    G  18          2HO*        G  18  -7.535   8.392  13.646
  193    H1*    G  18           H1*        G  18  -8.834   7.620  12.487
  194    H8     G  18           H8         G  18 -11.874   9.267  10.939
  195    H1     G  18           H1         G  18  -7.221   8.017   6.727
  196   1H2     G  18          1H2         G  18  -5.372   7.419   7.790
  197   2H2     G  18          2H2         G  18  -5.280   7.327   9.535
  198   1H5*    G  19          1H5*        G  19  -6.638  10.322  14.177
  199   2H5*    G  19          2H5*        G  19  -5.886  11.546  15.219
  200    H4*    G  19           H4*        G  19  -4.284  11.147  13.546
  201    H3*    G  19           H3*        G  19  -5.889  13.622  12.923
  202    H2*    G  19           H2*        G  19  -4.895  13.834  10.833
  203   2HO*    G  19          2HO*        G  19  -2.753  13.750  11.838
  204    H1*    G  19           H1*        G  19  -4.270  11.108  10.379
  205    H8     G  19           H8         G  19  -7.885  12.252  11.139
  206    H1     G  19           H1         G  19  -6.439  11.805   4.919
  207   1H2     G  19          1H2         G  19  -4.280  11.353   4.671
  208   2H2     G  19          2H2         G  19  -3.198  11.164   6.032
  209   1H5*    G  20          1H5*        G  20  -4.913  17.771  13.366
  210   2H5*    G  20          2H5*        G  20  -6.292  17.208  12.400
  211    H4*    G  20           H4*        G  20  -3.379  17.334  11.693
  212    H3*    G  20           H3*        G  20  -5.966  18.227  10.470
  213    H2*    G  20           H2*        G  20  -5.339  17.621   8.292
  214   2HO*    G  20          2HO*        G  20  -2.966  18.407   9.062
  215    H1*    G  20           H1*        G  20  -4.079  15.276   8.806
  216    H8     G  20           H8         G  20  -6.727  15.004  11.326
  217    H1     G  20           H1         G  20  -9.216  14.742   5.439
  218   1H2     G  20          1H2         G  20  -7.705  15.348   3.948
  219   2H2     G  20          2H2         G  20  -6.082  15.823   4.392
  220   1H5*    A  21          1H5*        A  21  -6.892  22.502  10.525
  221   2H5*    A  21          2H5*        A  21  -7.521  21.013   9.793
  222    H4*    A  21           H4*        A  21  -7.964  23.224   8.563
  223    H3*    A  21           H3*        A  21  -7.068  20.659   7.389
  224    H2*    A  21           H2*        A  21  -6.168  21.511   5.430
  225   2HO*    A  21          2HO*        A  21  -7.109  24.027   5.304
  226    H1*    A  21           H1*        A  21  -5.360  24.028   6.188
  227    H8     A  21           H8         A  21  -4.147  21.884   8.959
  228   1H6     A  21          1H6         A  21   0.569  20.201   5.348
  229   2H6     A  21          2H6         A  21  -0.072  20.187   6.975
  230    H2     A  21           H2         A  21  -2.440  22.327   2.779
  231   1H5*    A  22          1H5*        A  22  -9.458  18.538   4.384
  232   2H5*    A  22          2H5*        A  22  -7.829  17.881   4.646
  233    H4*    A  22           H4*        A  22  -8.709  20.255   3.045
  234    H3*    A  22           H3*        A  22  -7.076  17.820   2.589
  235    H2*    A  22           H2*        A  22  -5.213  18.874   1.671
  236   2HO*    A  22          2HO*        A  22  -7.081  20.427   0.574
  237    H1*    A  22           H1*        A  22  -5.138  21.206   3.054
  238    H8     A  22           H8         A  22  -5.902  19.417   6.013
  239   1H6     A  22          1H6         A  22  -0.452  16.526   5.799
  240   2H6     A  22          2H6         A  22  -1.822  16.941   6.804
  241    H2     A  22           H2         A  22  -1.249  18.275   1.735
  242   1H5*    A  23          1H5*        A  23  -8.346  16.426  -2.117
  243   2H5*    A  23          2H5*        A  23  -7.997  14.990  -1.134
  244    H4*    A  23           H4*        A  23  -6.323  16.206  -3.036
  245    H3*    A  23           H3*        A  23  -6.063  13.961  -1.086
  246    H2*    A  23           H2*        A  23  -3.733  14.102  -0.897
  247   2HO*    A  23          2HO*        A  23  -2.573  14.462  -2.609
  248    H1*    A  23           H1*        A  23  -3.373  16.783  -0.972
  249    H8     A  23           H8         A  23  -6.599  16.223   0.892
  250   1H6     A  23          1H6         A  23  -3.196  15.165   5.937
  251   2H6     A  23          2H6         A  23  -4.817  15.439   5.329
  252    H2     A  23           H2         A  23  -0.416  15.317   2.392
  253   1H5*    C  24          1H5*        C  24  -4.346  12.040  -3.910
  254   2H5*    C  24          2H5*        C  24  -4.721  10.312  -4.073
  255    H4*    C  24           H4*        C  24  -2.771  10.837  -2.567
  256    H3*    C  24           H3*        C  24  -5.164   9.316  -1.521
  257    H2*    C  24           H2*        C  24  -4.191   9.209   0.611
  258   2HO*    C  24          2HO*        C  24  -1.723   9.922  -0.627
  259    H1*    C  24           H1*        C  24  -2.948  11.698   0.599
  260   1H4     C  24          1H4         C  24  -8.232  12.426   4.086
  261   2H4     C  24          2H4         C  24  -9.190  12.569   2.629
  262    H5     C  24           H5         C  24  -8.282  12.268   0.417
  263    H6     C  24           H6         C  24  -6.261  11.779  -0.877
  264   1H5*    U  25          1H5*        U  25  -2.199   7.716   0.030
  265   2H5*    U  25          2H5*        U  25  -1.893   5.986  -0.218
  266    H4*    U  25           H4*        U  25  -1.806   6.439   2.146
  267    H3*    U  25           H3*        U  25  -4.282   4.958   1.252
  268    H2*    U  25           H2*        U  25  -5.150   5.013   3.420
  269   2HO*    U  25          2HO*        U  25  -3.816   5.258   5.251
  270    H1*    U  25           H1*        U  25  -3.948   7.423   4.269
  271    H3     U  25           H3         U  25  -8.375   8.187   4.876
  272    H5     U  25           H5         U  25  -7.865   8.301   0.695
  273    H6     U  25           H6         U  25  -5.578   7.564   1.020
  274   1H5*    U  26          1H5*        U  26  -2.750   3.688   4.541
  275   2H5*    U  26          2H5*        U  26  -2.074   2.051   4.675
  276    H4*    U  26           H4*        U  26  -3.165   2.256   6.705
  277    H3*    U  26           H3*        U  26  -5.140   1.055   4.757
  278    H2*    U  26           H2*        U  26  -6.817   1.133   6.383
  279   2HO*    U  26          2HO*        U  26  -6.361   1.296   8.604
  280    H1*    U  26           H1*        U  26  -6.019   3.474   7.672
  281    H3     U  26           H3         U  26  -9.978   4.885   6.076
  282    H5     U  26           H5         U  26  -7.830   3.916   2.585
  283    H6     U  26           H6         U  26  -6.026   3.115   3.994
  284   1H5*    G  27          1H5*        G  27  -5.415  -0.619   8.262
  285   2H5*    G  27          2H5*        G  27  -5.781  -2.350   8.411
  286    H4*    G  27           H4*        G  27  -7.505  -1.015   9.508
  287    H3*    G  27           H3*        G  27  -8.376  -2.430   6.975
  288    H2*    G  27           H2*        G  27 -10.502  -1.506   7.210
  289   2HO*    G  27          2HO*        G  27 -10.187  -0.702   9.871
  290    H1*    G  27           H1*        G  27  -9.718   0.826   8.641
  291    H8     G  27           H8         G  27  -8.276   0.128   5.129
  292    H1     G  27           H1         G  27 -13.637   3.623   5.239
  293   1H2     G  27          1H2         G  27 -14.452   3.690   7.304
  294   2H2     G  27          2H2         G  27 -13.673   2.880   8.644
  295   1H5*    G  28          1H5*        G  28 -11.001  -3.662  10.700
  296   2H5*    G  28          2H5*        G  28 -10.806  -5.424  10.605
  297    H4*    G  28           H4*        G  28 -13.055  -5.223  11.137
  298    H3*    G  28           H3*        G  28 -12.763  -5.442   8.153
  299    H2*    G  28           H2*        G  28 -15.038  -4.967   7.788
  300   2HO*    G  28          2HO*        G  28 -15.370  -5.552  10.555
  301    H1*    G  28           H1*        G  28 -15.380  -3.012   9.649
  302    H8     G  28           H8         G  28 -11.927  -2.972   7.969
  303    H1     G  28           H1         G  28 -16.410   0.359   4.839
  304   1H2     G  28          1H2         G  28 -18.393   0.045   5.796
  305   2H2     G  28          2H2         G  28 -18.611  -0.994   7.187
  306   1H5*    U  29          1H5*        U  29 -16.064  -7.512   8.789
  307   2H5*    U  29          2H5*        U  29 -16.027  -9.178   8.174
  308    H4*    U  29           H4*        U  29 -17.965  -8.075   7.262
  309    H3*    U  29           H3*        U  29 -15.732  -8.489   5.266
  310    H2*    U  29           H2*        U  29 -16.966  -7.386   3.620
  311   2HO*    U  29          2HO*        U  29 -19.337  -7.661   5.164
  312    H1*    U  29           H1*        U  29 -18.379  -5.621   5.301
  313    H3     U  29           H3         U  29 -16.216  -2.814   2.485
  314    H5     U  29           H5         U  29 -13.144  -4.435   4.878
  315    H6     U  29           H6         U  29 -14.783  -5.933   5.852
  316   1H5*    U  30          1H5*        U  30 -19.666  -9.815   3.778
  317   2H5*    U  30          2H5*        U  30 -19.483 -11.324   2.863
  318    H4*    U  30           H4*        U  30 -20.807  -9.648   1.627
  319    H3*    U  30           H3*        U  30 -18.128 -10.437   0.460
  320    H2*    U  30           H2*        U  30 -18.491  -8.971  -1.345
  321   2HO*    U  30          2HO*        U  30 -21.089  -8.238  -0.753
  322    H1*    U  30           H1*        U  30 -19.752  -6.946   0.071
  323    H3     U  30           H3         U  30 -15.883  -4.988  -1.193
  324    H5     U  30           H5         U  30 -14.704  -7.744   1.772
  325    H6     U  30           H6         U  30 -16.980  -8.587   1.799
  326   1H5*    C  31          1H5*        C  31 -20.725 -10.680  -2.787
  327   2H5*    C  31          2H5*        C  31 -20.246 -12.008  -3.862
  328    H4*    C  31           H4*        C  31 -20.151  -9.716  -4.902
  329    H3*    C  31           H3*        C  31 -17.625 -11.384  -4.749
  330    H2*    C  31           H2*        C  31 -16.469  -9.664  -5.824
  331   2HO*    C  31          2HO*        C  31 -17.639  -9.325  -7.629
  332    H1*    C  31           H1*        C  31 -18.060  -7.520  -4.861
  333   1H4     C  31          1H4         C  31 -12.367  -6.844  -2.103
  334   2H4     C  31          2H4         C  31 -12.705  -8.179  -1.022
  335    H5     C  31           H5         C  31 -14.706  -9.518  -1.161
  336    H6     C  31           H6         C  31 -16.799  -9.882  -2.383
  337   1H5*    U  32          1H5*        U  32 -18.147 -10.595  -9.174
  338   2H5*    U  32          2H5*        U  32 -17.807 -12.168  -9.923
  339    H4*    U  32           H4*        U  32 -16.447 -10.425 -10.957
  340    H3*    U  32           H3*        U  32 -14.994 -12.480  -9.294
  341    H2*    U  32           H2*        U  32 -12.951 -11.385  -9.616
  342   2HO*    U  32          2HO*        U  32 -13.449  -9.471 -11.400
  343    H1*    U  32           H1*        U  32 -13.878  -8.766  -9.644
  344    H3     U  32           H3         U  32 -11.385  -8.733  -5.899
  345    H5     U  32           H5         U  32 -14.596 -11.270  -4.915
  346    H6     U  32           H6         U  32 -15.357 -11.085  -7.211
  347   1H5*    U  33          1H5*        U  33 -13.130 -11.589 -13.216
  348   2H5*    U  33          2H5*        U  33 -12.468 -13.077 -13.922
  349    H4*    U  33           H4*        U  33 -10.866 -11.147 -13.892
  350    H3*    U  33           H3*        U  33 -10.210 -13.744 -12.516
  351    H2*    U  33           H2*        U  33  -8.261 -12.876 -11.588
  352   2HO*    U  33          2HO*        U  33  -8.352 -11.086 -13.781
  353    H1*    U  33           H1*        U  33  -9.028 -10.188 -11.352
  354    H3     U  33           H3         U  33  -8.166 -11.211  -7.040
  355    H5     U  33           H5         U  33 -11.596 -13.488  -7.947
  356    H6     U  33           H6         U  33 -11.382 -12.775 -10.256
  357   1H5*    C  34          1H5*        C  34  -5.574 -15.155 -14.209
  358   2H5*    C  34          2H5*        C  34  -6.544 -15.100 -12.722
  359    H4*    C  34           H4*        C  34  -4.579 -12.927 -13.508
  360    H3*    C  34           H3*        C  34  -4.082 -15.498 -12.030
  361    H2*    C  34           H2*        C  34  -2.978 -14.426 -10.277
  362   2HO*    C  34          2HO*        C  34  -1.950 -12.459 -10.502
  363    H1*    C  34           H1*        C  34  -4.369 -12.026 -10.239
  364   1H4     C  34          1H4         C  34  -6.560 -15.690  -5.461
  365   2H4     C  34          2H4         C  34  -7.893 -16.157  -6.494
  366    H5     C  34           H5         C  34  -8.047 -15.538  -8.814
  367    H6     C  34           H6         C  34  -6.943 -14.358 -10.657
  368   1H5*    C  35          1H5*        C  35   1.034 -14.171 -12.534
  369   2H5*    C  35          2H5*        C  35   1.093 -15.941 -12.653
  370    H4*    C  35           H4*        C  35   2.268 -14.481 -10.669
  371    H3*    C  35           H3*        C  35   1.328 -17.333 -10.781
  372    H2*    C  35           H2*        C  35   1.418 -17.594  -8.480
  373   2HO*    C  35          2HO*        C  35   2.862 -16.428  -7.182
  374    H1*    C  35           H1*        C  35   1.066 -14.901  -7.688
  375   1H4     C  35          1H4         C  35  -4.243 -17.951  -5.905
  376   2H4     C  35          2H4         C  35  -4.870 -17.801  -7.530
  377    H5     C  35           H5         C  35  -3.593 -16.914  -9.362
  378    H6     C  35           H6         C  35  -1.433 -15.975 -10.039
  379   1H5*    U  36          1H5*        U  36   6.015 -18.812 -10.249
  380   2H5*    U  36          2H5*        U  36   5.461 -20.497 -10.149
  381    H4*    U  36           H4*        U  36   6.151 -18.741  -8.023
  382    H3*    U  36           H3*        U  36   5.157 -21.567  -8.246
  383    H2*    U  36           H2*        U  36   4.253 -21.570  -6.119
  384   2HO*    U  36          2HO*        U  36   5.866 -19.434  -5.226
  385    H1*    U  36           H1*        U  36   3.960 -18.757  -5.739
  386    H3     U  36           H3         U  36   0.030 -20.797  -4.525
  387    H5     U  36           H5         U  36  -0.103 -20.430  -8.724
  388    H6     U  36           H6         U  36   2.229 -19.758  -8.671
  389   1H5*    A  37          1H5*        A  37   8.473 -24.139  -5.139
  390   2H5*    A  37          2H5*        A  37   7.205 -25.009  -6.027
  391    H4*    A  37           H4*        A  37   7.290 -24.118  -3.184
  392    H3*    A  37           H3*        A  37   7.146 -26.604  -4.339
  393    H2*    A  37           H2*        A  37   5.011 -26.493  -5.297
  394   2HO*    A  37          2HO*        A  37   4.683 -28.067  -3.755
  395    H1*    A  37           H1*        A  37   3.810 -24.831  -3.129
  396    H8     A  37           H8         A  37   4.796 -24.255  -6.862
  397   1H6     A  37          1H6         A  37  -1.224 -23.165  -7.709
  398   2H6     A  37          2H6         A  37   0.350 -23.218  -8.472
  399    H2     A  37           H2         A  37  -0.613 -24.264  -3.393
  400   1H5*    A  38          1H5*        A  38   8.867 -27.895   0.944
  401   2H5*    A  38          2H5*        A  38   7.586 -28.731   0.042
  402    H4*    A  38           H4*        A  38   7.596 -27.986   2.775
  403    H3*    A  38           H3*        A  38   5.644 -29.294   0.909
  404    H2*    A  38           H2*        A  38   3.792 -28.738   2.201
  405   2HO*    A  38          2HO*        A  38   5.395 -28.089   4.444
  406    H1*    A  38           H1*        A  38   4.648 -26.331   3.287
  407    H8     A  38           H8         A  38   5.390 -26.169  -0.378
  408   1H6     A  38          1H6         A  38  -0.556 -24.749  -1.274
  409   2H6     A  38          2H6         A  38   1.027 -24.851  -2.014
  410    H2     A  38           H2         A  38  -0.078 -26.070   2.995
  411   1H5*    G  39          1H5*        G  39   3.513 -33.455   3.496
  412   2H5*    G  39          2H5*        G  39   3.414 -32.494   2.007
  413    H4*    G  39           H4*        G  39   2.296 -31.740   4.727
  414    H3*    G  39           H3*        G  39   1.051 -32.883   2.255
  415    H2*    G  39           H2*        G  39  -0.668 -31.301   2.174
  416   2HO*    G  39          2HO*        G  39  -0.754 -31.613   4.709
  417    H1*    G  39           H1*        G  39   0.660 -29.076   3.040
  418    H8     G  39           H8         G  39   3.206 -30.596   0.839
  419    H1     G  39           H1         G  39  -1.661 -28.160  -2.536
  420   1H2     G  39          1H2         G  39  -3.369 -27.717  -1.193
  421   2H2     G  39          2H2         G  39  -3.310 -28.014   0.530
  422   1H5*    U  40          1H5*        U  40  -2.644 -33.029   4.992
  423   2H5*    U  40          2H5*        U  40  -3.126 -34.715   4.714
  424    H4*    U  40           H4*        U  40  -4.925 -33.017   4.257
  425    H3*    U  40           H3*        U  40  -4.008 -34.988   2.182
  426    H2*    U  40           H2*        U  40  -5.284 -33.990   0.487
  427   2HO*    U  40          2HO*        U  40  -6.712 -32.103   1.713
  428    H1*    U  40           H1*        U  40  -4.962 -31.361   1.154
  429    H3     U  40           H3         U  40  -2.504 -31.938  -2.642
  430    H5     U  40           H5         U  40  -0.076 -33.454   0.452
  431    H6     U  40           H6         U  40  -1.950 -33.186   1.967
  432   1H5*    C  41          1H5*        C  41  -8.117 -34.882   2.012
  433   2H5*    C  41          2H5*        C  41  -8.948 -36.443   1.853
  434    H4*    C  41           H4*        C  41  -9.532 -34.924   0.012
  435    H3*    C  41           H3*        C  41  -7.969 -37.417  -0.658
  436    H2*    C  41           H2*        C  41  -7.858 -36.795  -2.920
  437   2HO*    C  41          2HO*        C  41  -9.324 -35.529  -3.894
  438    H1*    C  41           H1*        C  41  -7.547 -34.076  -2.579
  439   1H4     C  41          1H4         C  41  -1.641 -36.269  -3.496
  440   2H4     C  41          2H4         C  41  -1.583 -36.874  -1.855
  441    H5     C  41           H5         C  41  -3.457 -36.776  -0.345
  442    H6     C  41           H6         C  41  -5.798 -36.097  -0.088
  443   1H5*    C  42          1H5*        C  42 -10.622 -36.777  -3.166
  444   2H5*    C  42          2H5*        C  42 -11.859 -37.923  -3.721
  445    H4*    C  42           H4*        C  42 -10.802 -37.077  -5.678
  446    H3*    C  42           H3*        C  42  -9.865 -39.854  -4.952
  447    H2*    C  42           H2*        C  42  -8.341 -39.851  -6.733
  448   2HO*    C  42          2HO*        C  42  -8.546 -37.962  -8.299
  449    H1*    C  42           H1*        C  42  -7.602 -37.186  -6.629
  450   1H4     C  42          1H4         C  42  -2.916 -40.253  -3.624
  451   2H4     C  42          2H4         C  42  -3.949 -40.559  -2.245
  452    H5     C  42           H5         C  42  -6.274 -39.931  -2.174
  453    H6     C  42           H6         C  42  -8.118 -38.903  -3.420
  454   1H5*    U  43          1H5*        U  43 -10.458 -39.432  -9.152
  455   2H5*    U  43          2H5*        U  43 -11.237 -40.873  -9.835
  456    H4*    U  43           H4*        U  43  -9.132 -40.212 -11.009
  457    H3*    U  43           H3*        U  43  -9.339 -42.910  -9.687
  458    H2*    U  43           H2*        U  43  -7.133 -43.425 -10.221
  459   2HO*    U  43          2HO*        U  43  -7.437 -41.465 -12.250
  460    H1*    U  43           H1*        U  43  -6.059 -40.853 -10.056
  461    H3     U  43           H3         U  43  -3.786 -42.909  -6.739
  462    H5     U  43           H5         U  43  -7.750 -42.802  -5.322
  463    H6     U  43           H6         U  43  -8.430 -41.909  -7.471
  464    H3T    U  43           H3T        U  43  -8.997 -43.170 -12.199
  465   1H5*    G  44          1H5*        G  44  -7.404  45.045   1.182
  466   2H5*    G  44          2H5*        G  44  -8.309  43.539   0.929
  467    H4*    G  44           H4*        G  44  -7.736  43.988  -1.241
  468    H3*    G  44           H3*        G  44  -5.585  42.301  -0.043
  469    H2*    G  44           H2*        G  44  -3.997  42.752  -1.696
  470   2HO*    G  44          2HO*        G  44  -5.062  44.070  -3.632
  471    H1*    G  44           H1*        G  44  -4.514  45.370  -2.208
  472    H8     G  44           H8         G  44  -5.018  44.957   1.496
  473    H1     G  44           H1         G  44   1.169  45.198  -0.139
  474   1H2     G  44          1H2         G  44   1.376  45.056  -2.345
  475   2H2     G  44          2H2         G  44  -0.001  44.898  -3.411
  476    H5T    G  44           H5T        G  44  -6.546  43.662   2.606
  477   1H5*    G  45          1H5*        G  45  -4.969  41.627  -3.694
  478   2H5*    G  45          2H5*        G  45  -5.162  39.935  -4.195
  479    H4*    G  45           H4*        G  45  -2.976  40.784  -4.879
  480    H3*    G  45           H3*        G  45  -3.005  38.669  -2.728
  481    H2*    G  45           H2*        G  45  -0.710  38.847  -2.421
  482   2HO*    G  45          2HO*        G  45   0.683  39.231  -4.046
  483    H1*    G  45           H1*        G  45  -0.380  41.531  -3.298
  484    H8     G  45           H8         G  45  -2.831  41.250  -0.438
  485    H1     G  45           H1         G  45   3.290  41.340   1.452
  486   1H2     G  45          1H2         G  45   4.625  41.091  -0.298
  487   2H2     G  45          2H2         G  45   4.016  40.918  -1.928
  488   1H5*    G  46          1H5*        G  46  -0.309  38.075  -5.436
  489   2H5*    G  46          2H5*        G  46  -0.234  36.618  -6.448
  490    H4*    G  46           H4*        G  46   1.998  37.060  -5.762
  491    H3*    G  46           H3*        G  46   0.727  34.827  -4.178
  492    H2*    G  46           H2*        G  46   2.585  34.672  -2.786
  493   2HO*    G  46          2HO*        G  46   3.954  35.670  -5.040
  494    H1*    G  46           H1*        G  46   3.456  37.356  -2.955
  495    H8     G  46           H8         G  46  -0.185  36.738  -1.903
  496    H1     G  46           H1         G  46   4.011  36.818   2.935
  497   1H2     G  46          1H2         G  46   6.085  36.905   2.130
  498   2H2     G  46          2H2         G  46   6.426  36.939   0.417
  499   1H5*    A  47          1H5*        A  47   4.673  34.059  -5.252
  500   2H5*    A  47          2H5*        A  47   4.917  32.484  -6.033
  501    H4*    A  47           H4*        A  47   6.616  32.846  -4.324
  502    H3*    A  47           H3*        A  47   4.573  30.699  -3.757
  503    H2*    A  47           H2*        A  47   5.464  30.321  -1.635
  504   2HO*    A  47          2HO*        A  47   7.764  31.673  -1.585
  505    H1*    A  47           H1*        A  47   6.389  32.917  -1.096
  506    H8     A  47           H8         A  47   2.748  32.462  -2.274
  507   1H6     A  47          1H6         A  47   1.306  32.241   3.726
  508   2H6     A  47          2H6         A  47   0.675  32.272   2.094
  509    H2     A  47           H2         A  47   5.787  32.350   3.387
  510   1H5*    U  48          1H5*        U  48   8.241  29.100  -2.470
  511   2H5*    U  48          2H5*        U  48   8.305  27.378  -2.896
  512    H4*    U  48           H4*        U  48   8.485  27.883  -0.428
  513    H3*    U  48           H3*        U  48   6.370  26.051  -1.541
  514    H2*    U  48           H2*        U  48   5.284  25.888   0.501
  515   2HO*    U  48          2HO*        U  48   7.622  26.731   1.875
  516    H1*    U  48           H1*        U  48   6.122  28.345   1.649
  517    H3     U  48           H3         U  48   1.655  28.717   2.095
  518    H5     U  48           H5         U  48   2.246  28.762  -2.078
  519    H6     U  48           H6         U  48   4.595  28.300  -1.684
  520   1H5*    A  49          1H5*        A  49   9.145  21.120  -0.824
  521   2H5*    A  49          2H5*        A  49   7.526  21.849  -0.827
  522    H4*    A  49           H4*        A  49   9.177  22.134   1.649
  523    H3*    A  49           H3*        A  49   8.772  19.523   0.625
  524    H2*    A  49           H2*        A  49   6.515  19.290   1.116
  525   2HO*    A  49          2HO*        A  49   7.127  17.951   2.702
  526    H1*    A  49           H1*        A  49   6.579  21.248   3.385
  527    H8     A  49           H8         A  49   4.966  21.192  -0.164
  528   1H6     A  49          1H6         A  49  -0.401  21.601   2.868
  529   2H6     A  49          2H6         A  49   0.357  21.560   1.297
  530    H2     A  49           H2         A  49   2.888  21.319   5.915
  531   1H5*    U  50          1H5*        U  50  10.326  19.467   5.881
  532   2H5*    U  50          2H5*        U  50  10.294  17.692   5.865
  533    H4*    U  50           H4*        U  50   9.287  18.049   7.889
  534    H3*    U  50           H3*        U  50   7.417  17.307   6.004
  535    H2*    U  50           H2*        U  50   6.531  19.447   5.554
  536   2HO*    U  50          2HO*        U  50   5.125  19.165   7.973
  537    H1*    U  50           H1*        U  50   6.755  20.283   8.435
  538    H3     U  50           H3         U  50   8.669  24.451   6.772
  539    H5     U  50           H5         U  50   5.060  23.421   4.854
  540    H6     U  50           H6         U  50   5.248  21.206   5.830
  541   1H5*    G  51          1H5*        G  51   3.576  18.303   7.978
  542   2H5*    G  51          2H5*        G  51   3.475  16.744   8.818
  543    H4*    G  51           H4*        G  51   1.406  16.905   7.743
  544    H3*    G  51           H3*        G  51   3.324  15.258   6.110
  545    H2*    G  51           H2*        G  51   1.883  15.175   4.290
  546   2HO*    G  51          2HO*        G  51  -0.443  15.768   4.683
  547    H1*    G  51           H1*        G  51   0.558  17.616   4.633
  548    H8     G  51           H8         G  51   4.309  18.059   4.731
  549    H1     G  51           H1         G  51   1.959  17.617  -1.204
  550   1H2     G  51          1H2         G  51  -0.167  17.001  -1.129
  551   2H2     G  51          2H2         G  51  -1.007  16.703   0.374
  552   1H5*    G  52          1H5*        G  52   2.548  10.972   5.193
  553   2H5*    G  52          2H5*        G  52   3.672  11.840   4.127
  554    H4*    G  52           H4*        G  52   0.687  11.505   3.890
  555    H3*    G  52           H3*        G  52   3.076  10.956   2.148
  556    H2*    G  52           H2*        G  52   1.950  11.636   0.204
  557   2HO*    G  52          2HO*        G  52  -0.126  11.321  -0.067
  558    H1*    G  52           H1*        G  52   0.546  13.748   1.214
  559    H8     G  52           H8         G  52   3.695  14.348   2.950
  560    H1     G  52           H1         G  52   4.398  15.263  -3.350
  561   1H2     G  52          1H2         G  52   2.653  14.417  -4.438
  562   2H2     G  52          2H2         G  52   1.323  13.632  -3.616
  563   1H5*    A  53          1H5*        A  53   0.109   8.959   0.423
  564   2H5*    A  53          2H5*        A  53   0.105   7.187   0.557
  565    H4*    A  53           H4*        A  53  -0.441   7.548  -1.684
  566    H3*    A  53           H3*        A  53   2.526   7.058  -1.433
  567    H2*    A  53           H2*        A  53   2.839   7.466  -3.727
  568   2HO*    A  53          2HO*        A  53   0.622   6.224  -4.030
  569    H1*    A  53           H1*        A  53   1.055   9.538  -4.015
  570    H8     A  53           H8         A  53   2.925   9.912  -0.733
  571   1H6     A  53          1H6         A  53   7.421  12.626  -3.974
  572   2H6     A  53          2H6         A  53   6.831  12.246  -2.373
  573    H2     A  53           H2         A  53   4.457  10.918  -6.890
  574   1H5*    A  54          1H5*        A  54   1.323   4.471  -4.666
  575   2H5*    A  54          2H5*        A  54   2.228   2.949  -4.552
  576    H4*    A  54           H4*        A  54   2.529   4.252  -6.708
  577    H3*    A  54           H3*        A  54   4.902   3.491  -4.990
  578    H2*    A  54           H2*        A  54   6.342   4.533  -6.535
  579   2HO*    A  54          2HO*        A  54   4.477   3.751  -8.295
  580    H1*    A  54           H1*        A  54   4.748   6.704  -7.121
  581    H8     A  54           H8         A  54   4.549   6.133  -3.404
  582   1H6     A  54          1H6         A  54   9.931   9.137  -2.940
  583   2H6     A  54          2H6         A  54   8.582   8.461  -2.056
  584    H2     A  54           H2         A  54   9.159   8.342  -7.294
  585   1H5*    G  55          1H5*        G  55   5.741   1.311  -8.947
  586   2H5*    G  55          2H5*        G  55   6.419  -0.248  -8.437
  587    H4*    G  55           H4*        G  55   7.896   0.947 -10.023
  588    H3*    G  55           H3*        G  55   8.898   0.448  -7.216
  589    H2*    G  55           H2*        G  55  10.916   1.576  -7.703
  590   2HO*    G  55          2HO*        G  55  10.425   0.664 -10.192
  591    H1*    G  55           H1*        G  55   9.859   3.639  -9.139
  592    H8     G  55           H8         G  55   7.556   2.689  -6.248
  593    H1     G  55           H1         G  55  12.394   6.520  -4.568
  594   1H2     G  55          1H2         G  55  13.818   6.725  -6.263
  595   2H2     G  55          2H2         G  55  13.575   5.920  -7.796
  596   1H5*    A  56          1H5*        A  56  11.893  -0.409  -9.558
  597   2H5*    A  56          2H5*        A  56  12.708  -1.970  -9.343
  598    H4*    A  56           H4*        A  56  14.335  -0.165  -9.234
  599    H3*    A  56           H3*        A  56  13.789  -1.586  -6.622
  600    H2*    A  56           H2*        A  56  15.225  -0.137  -5.501
  601   2HO*    A  56          2HO*        A  56  16.760   1.176  -6.849
  602    H1*    A  56           H1*        A  56  14.897   2.123  -7.161
  603    H8     A  56           H8         A  56  11.626   0.734  -5.816
  604   1H6     A  56          1H6         A  56  12.585   4.245  -0.833
  605   2H6     A  56          2H6         A  56  11.446   3.216  -1.671
  606    H2     A  56           H2         A  56  16.320   4.350  -3.335
  607   1H5*    A  57          1H5*        A  57  18.302  -1.517  -7.102
  608   2H5*    A  57          2H5*        A  57  18.721  -3.230  -6.894
  609    H4*    A  57           H4*        A  57  20.204  -1.952  -5.512
  610    H3*    A  57           H3*        A  57  18.023  -3.331  -3.927
  611    H2*    A  57           H2*        A  57  18.917  -2.430  -1.944
  612   2HO*    A  57          2HO*        A  57  21.254  -1.761  -3.436
  613    H1*    A  57           H1*        A  57  19.638   0.045  -2.963
  614    H8     A  57           H8         A  57  16.196  -1.344  -3.998
  615   1H6     A  57          1H6         A  57  14.003   1.700   0.912
  616   2H6     A  57          2H6         A  57  13.583   0.771  -0.510
  617    H2     A  57           H2         A  57  18.491   1.986   0.992
  618   1H5*    C  58          1H5*        C  58  21.943  -4.548  -2.053
  619   2H5*    C  58          2H5*        C  58  21.721  -6.253  -1.613
  620    H4*    C  58           H4*        C  58  22.492  -4.881   0.293
  621    H3*    C  58           H3*        C  58  19.730  -6.107   0.498
  622    H2*    C  58           H2*        C  58  19.517  -5.181   2.651
  623   2HO*    C  58          2HO*        C  58  21.390  -4.328   3.757
  624    H1*    C  58           H1*        C  58  20.892  -2.802   2.149
  625   1H4     C  58          1H4         C  58  14.734  -1.215   2.005
  626   2H4     C  58          2H4         C  58  14.525  -2.034   0.473
  627    H5     C  58           H5         C  58  16.283  -3.266  -0.617
  628    H6     C  58           H6         C  58  18.612  -4.011  -0.458
  629   1H5*    C  59          1H5*        C  59  21.355  -6.646   3.731
  630   2H5*    C  59          2H5*        C  59  21.363  -8.208   4.574
  631    H4*    C  59           H4*        C  59  20.333  -6.613   6.035
  632    H3*    C  59           H3*        C  59  18.337  -8.460   4.710
  633    H2*    C  59           H2*        C  59  16.581  -7.333   5.746
  634   2HO*    C  59          2HO*        C  59  17.608  -7.572   7.857
  635    H1*    C  59           H1*        C  59  17.825  -4.795   5.942
  636   1H4     C  59          1H4         C  59  13.142  -4.057   1.708
  637   2H4     C  59          2H4         C  59  13.998  -5.035   0.535
  638    H5     C  59           H5         C  59  16.100  -6.125   1.005
  639    H6     C  59           H6         C  59  17.808  -6.548   2.713
  640   1H5*    G  60          1H5*        G  60  18.242  -8.449   9.500
  641   2H5*    G  60          2H5*        G  60  17.909 -10.159   9.840
  642    H4*    G  60           H4*        G  60  16.579  -8.673  11.281
  643    H3*    G  60           H3*        G  60  15.091 -10.366   9.270
  644    H2*    G  60           H2*        G  60  13.054  -9.419   9.927
  645   2HO*    G  60          2HO*        G  60  13.783  -7.973  12.108
  646    H1*    G  60           H1*        G  60  13.973  -6.853  10.519
  647    H8     G  60           H8         G  60  15.218  -8.229   7.186
  648    H1     G  60           H1         G  60   9.493  -5.378   6.839
  649   1H2     G  60          1H2         G  60   8.743  -4.930   8.883
  650   2H2     G  60          2H2         G  60   9.648  -5.331  10.326
  651   1H5*    G  61          1H5*        G  61  12.756 -10.023  12.414
  652   2H5*    G  61          2H5*        G  61  12.542 -11.584  13.228
  653    H4*    G  61           H4*        G  61  10.375 -10.653  13.098
  654    H3*    G  61           H3*        G  61  10.811 -12.696  10.915
  655    H2*    G  61           H2*        G  61   8.723 -12.220   9.999
  656   2HO*    G  61          2HO*        G  61   7.072 -11.177  11.302
  657    H1*    G  61           H1*        G  61   8.521  -9.524  10.844
  658    H8     G  61           H8         G  61  11.597 -10.573   8.793
  659    H1     G  61           H1         G  61   6.632  -8.577   5.293
  660   1H2     G  61          1H2         G  61   4.856  -8.278   6.589
  661   2H2     G  61          2H2         G  61   4.894  -8.569   8.314
  662   1H5*    G  62          1H5*        G  62   7.066 -12.899  12.168
  663   2H5*    G  62          2H5*        G  62   6.609 -14.487  12.816
  664    H4*    G  62           H4*        G  62   4.862 -13.844  11.337
  665    H3*    G  62           H3*        G  62   6.721 -15.869  10.084
  666    H2*    G  62           H2*        G  62   5.588 -15.716   8.059
  667   2HO*    G  62          2HO*        G  62   3.335 -14.601   8.259
  668    H1*    G  62           H1*        G  62   4.604 -13.063   8.353
  669    H8     G  62           H8         G  62   8.387 -13.801   8.527
  670    H1     G  62           H1         G  62   6.214 -12.275   2.703
  671   1H2     G  62          1H2         G  62   4.001 -12.118   2.734
  672   2H2     G  62          2H2         G  62   3.061 -12.385   4.185
  673   1H5*    G  63          1H5*        G  63   6.415 -20.107   9.525
  674   2H5*    G  63          2H5*        G  63   7.592 -19.037   8.734
  675    H4*    G  63           H4*        G  63   4.636 -19.337   8.184
  676    H3*    G  63           H3*        G  63   7.160 -19.780   6.627
  677    H2*    G  63           H2*        G  63   6.329 -18.759   4.684
  678   2HO*    G  63          2HO*        G  63   3.720 -18.845   5.834
  679    H1*    G  63           H1*        G  63   4.966 -16.684   5.792
  680    H8     G  63           H8         G  63   7.863 -16.793   8.064
  681    H1     G  63           H1         G  63   9.621 -14.886   2.213
  682   1H2     G  63          1H2         G  63   7.984 -15.231   0.780
  683   2H2     G  63          2H2         G  63   6.458 -15.945   1.249
  684   1H5*    A  64          1H5*        A  64   8.453 -23.670   5.621
  685   2H5*    A  64          2H5*        A  64   8.918 -21.988   5.300
  686    H4*    A  64           H4*        A  64   9.495 -23.798   3.536
  687    H3*    A  64           H3*        A  64   8.400 -21.067   3.052
  688    H2*    A  64           H2*        A  64   7.748 -21.467   0.848
  689   2HO*    A  64          2HO*        A  64   8.659 -23.710   0.010
  690    H1*    A  64           H1*        A  64   6.968 -24.082   0.990
  691    H8     A  64           H8         A  64   5.877 -22.187   4.104
  692   1H6     A  64          1H6         A  64   0.775 -20.690   0.989
  693   2H6     A  64          2H6         A  64   1.566 -20.678   2.548
  694    H2     A  64           H2         A  64   3.637 -22.621  -1.897
  695   1H5*    A  65          1H5*        A  65  10.446 -17.887   0.715
  696   2H5*    A  65          2H5*        A  65   8.729 -17.706   1.128
  697    H4*    A  65           H4*        A  65  10.002 -19.216  -1.138
  698    H3*    A  65           H3*        A  65   8.020 -17.024  -0.849
  699    H2*    A  65           H2*        A  65   6.367 -17.950  -2.198
  700   2HO*    A  65          2HO*        A  65   8.561 -19.184  -3.435
  701    H1*    A  65           H1*        A  65   6.667 -20.612  -1.716
  702    H8     A  65           H8         A  65   7.071 -19.570   1.726
  703   1H6     A  65          1H6         A  65   1.033 -18.309   1.977
  704   2H6     A  65          2H6         A  65   2.486 -18.579   2.912
  705    H2     A  65           H2         A  65   2.185 -18.693  -2.352
  706   1H5*    A  66          1H5*        A  66   8.025 -15.276  -5.612
  707   2H5*    A  66          2H5*        A  66   7.869 -13.885  -4.521
  708    H4*    A  66           H4*        A  66   5.886 -14.817  -6.157
  709    H3*    A  66           H3*        A  66   5.860 -13.141  -3.673
  710    H2*    A  66           H2*        A  66   3.565 -13.451  -3.296
  711   2HO*    A  66          2HO*        A  66   2.230 -13.485  -4.916
  712    H1*    A  66           H1*        A  66   3.322 -16.065  -3.983
  713    H8     A  66           H8         A  66   6.683 -15.460  -2.296
  714   1H6     A  66          1H6         A  66   3.756 -16.312   3.076
  715   2H6     A  66          2H6         A  66   5.319 -16.122   2.306
  716    H2     A  66           H2         A  66   0.651 -16.137  -0.188
  717   1H5*    C  67          1H5*        C  67   3.487 -10.899  -5.720
  718   2H5*    C  67          2H5*        C  67   3.590  -9.138  -5.529
  719    H4*    C  67           H4*        C  67   1.799 -10.226  -4.150
  720    H3*    C  67           H3*        C  67   3.999  -8.626  -2.843
  721    H2*    C  67           H2*        C  67   3.175  -9.134  -0.706
  722   2HO*    C  67          2HO*        C  67   0.884 -10.426  -1.132
  723    H1*    C  67           H1*        C  67   2.337 -11.727  -1.191
  724   1H4     C  67          1H4         C  67   8.018 -12.309   1.628
  725   2H4     C  67          2H4         C  67   8.827 -11.930   0.124
  726    H5     C  67           H5         C  67   7.652 -11.295  -1.882
  727    H6     C  67           H6         C  67   5.450 -10.888  -2.879
  728   1H5*    U  68          1H5*        U  68   1.130  -7.785  -0.729
  729   2H5*    U  68          2H5*        U  68   0.530  -6.116  -0.766
  730    H4*    U  68           H4*        U  68   0.733  -6.603   1.521
  731    H3*    U  68           H3*        U  68   3.187  -5.107   0.574
  732    H2*    U  68           H2*        U  68   4.122  -5.272   2.728
  733   2HO*    U  68          2HO*        U  68   1.572  -6.058   3.725
  734    H1*    U  68           H1*        U  68   3.129  -7.794   3.375
  735    H3     U  68           H3         U  68   7.582  -8.521   3.315
  736    H5     U  68           H5         U  68   6.598  -7.974  -0.746
  737    H6     U  68           H6         U  68   4.346  -7.393  -0.054
  738   1H5*    U  69          1H5*        U  69   1.696  -3.848   3.913
  739   2H5*    U  69          2H5*        U  69   1.344  -2.152   4.298
  740    H4*    U  69           H4*        U  69   2.561  -2.992   6.151
  741    H3*    U  69           H3*        U  69   4.372  -1.407   4.314
  742    H2*    U  69           H2*        U  69   6.171  -1.859   5.740
  743   2HO*    U  69          2HO*        U  69   5.609  -2.824   7.921
  744    H1*    U  69           H1*        U  69   5.352  -4.406   6.583
  745    H3     U  69           H3         U  69   9.269  -5.419   4.590
  746    H5     U  69           H5         U  69   6.892  -4.001   1.415
  747    H6     U  69           H6         U  69   5.181  -3.430   3.036
  748   1H5*    G  70          1H5*        G  70   5.030  -0.602   7.858
  749   2H5*    G  70          2H5*        G  70   5.343   1.025   8.492
  750    H4*    G  70           H4*        G  70   7.259  -0.274   9.023
  751    H3*    G  70           H3*        G  70   7.774   1.461   6.592
  752    H2*    G  70           H2*        G  70   9.915   0.558   6.440
  753   2HO*    G  70          2HO*        G  70  10.699  -0.639   8.467
  754    H1*    G  70           H1*        G  70   9.322  -1.939   7.681
  755    H8     G  70           H8         G  70   7.536  -0.810   4.435
  756    H1     G  70           H1         G  70  12.834  -4.309   3.600
  757   1H2     G  70          1H2         G  70  13.817  -4.661   5.558
  758   2H2     G  70          2H2         G  70  13.171  -4.032   7.057
  759   1H5*    G  71          1H5*        G  71  10.778   2.115  10.366
  760   2H5*    G  71          2H5*        G  71  10.723   3.888  10.364
  761    H4*    G  71           H4*        G  71  12.966   3.424  10.825
  762    H3*    G  71           H3*        G  71  12.594   3.988   7.892
  763    H2*    G  71           H2*        G  71  14.817   3.399   7.397
  764   2HO*    G  71          2HO*        G  71  16.363   3.086   9.130
  765    H1*    G  71           H1*        G  71  15.067   1.237   9.036
  766    H8     G  71           H8         G  71  11.552   1.381   7.602
  767    H1     G  71           H1         G  71  15.831  -1.153   3.571
  768   1H2     G  71          1H2         G  71  17.876  -0.951   4.412
  769   2H2     G  71          2H2         G  71  18.189  -0.166   5.943
  770   1H5*    U  72          1H5*        U  72  16.119   6.426   9.055
  771   2H5*    U  72          2H5*        U  72  15.868   8.041   8.363
  772    H4*    U  72           H4*        U  72  18.067   7.107   7.750
  773    H3*    U  72           H3*        U  72  16.067   7.552   5.524
  774    H2*    U  72           H2*        U  72  17.637   6.749   3.957
  775   2HO*    U  72          2HO*        U  72  19.660   7.246   4.204
  776    H1*    U  72           H1*        U  72  18.659   4.698   5.478
  777    H3     U  72           H3         U  72  16.278   2.684   2.158
  778    H5     U  72           H5         U  72  13.372   3.960   4.933
  779    H6     U  72           H6         U  72  15.124   5.143   6.123
  780   1H5*    U  73          1H5*        U  73  19.546   9.282   4.041
  781   2H5*    U  73          2H5*        U  73  19.209  10.927   3.469
  782    H4*    U  73           H4*        U  73  20.321   9.587   1.737
  783    H3*    U  73           H3*        U  73  17.446  10.362   1.179
  784    H2*    U  73           H2*        U  73  17.606   9.292  -0.910
  785   2HO*    U  73          2HO*        U  73  20.406   8.973  -0.672
  786    H1*    U  73           H1*        U  73  19.242   7.186  -0.103
  787    H3     U  73           H3         U  73  15.307   5.319  -1.447
  788    H5     U  73           H5         U  73  14.527   6.825   2.413
  789    H6     U  73           H6         U  73  16.703   7.901   2.357
  790   1H5*    C  74          1H5*        C  74  19.633  10.743  -1.985
  791   2H5*    C  74          2H5*        C  74  19.582  12.287  -2.854
  792    H4*    C  74           H4*        C  74  19.275  10.584  -4.482
  793    H3*    C  74           H3*        C  74  16.596  11.823  -3.770
  794    H2*    C  74           H2*        C  74  15.631  10.437  -5.421
  795   2HO*    C  74          2HO*        C  74  17.569  10.992  -6.873
  796    H1*    C  74           H1*        C  74  17.291   8.224  -4.979
  797   1H4     C  74          1H4         C  74  11.797   6.686  -2.174
  798   2H4     C  74          2H4         C  74  12.048   7.889  -0.929
  799    H5     C  74           H5         C  74  13.948   9.371  -0.890
  800    H6     C  74           H6         C  74  15.968  10.079  -2.084
  801   1H5*    U  75          1H5*        U  75  17.306  12.692  -7.704
  802   2H5*    U  75          2H5*        U  75  16.517  14.070  -8.498
  803    H4*    U  75           H4*        U  75  15.608  11.858  -9.212
  804    H3*    U  75           H3*        U  75  13.772  13.815  -7.810
  805    H2*    U  75           H2*        U  75  12.025  12.274  -7.937
  806   2HO*    U  75          2HO*        U  75  13.273  11.632 -10.297
  807    H1*    U  75           H1*        U  75  13.616   9.926  -7.906
  808    H3     U  75           H3         U  75  10.639   9.349  -4.550
  809    H5     U  75           H5         U  75  13.388  12.158  -3.042
  810    H6     U  75           H6         U  75  14.381  12.270  -5.255
  811   1H5*    U  76          1H5*        U  76  12.131  13.349 -12.044
  812   2H5*    U  76          2H5*        U  76  11.576  14.951 -12.566
  813    H4*    U  76           H4*        U  76   9.823  13.250 -12.854
  814    H3*    U  76           H3*        U  76   9.347  15.456 -10.858
  815    H2*    U  76           H2*        U  76   7.341  14.496 -10.151
  816   2HO*    U  76          2HO*        U  76   6.932  12.552 -11.997
  817    H1*    U  76           H1*        U  76   7.978  11.801 -10.546
  818    H3     U  76           H3         U  76   7.188  11.993  -6.092
  819    H5     U  76           H5         U  76  10.866  13.996  -6.574
  820    H6     U  76           H6         U  76  10.575  13.821  -8.977
  821   1H5*    C  77          1H5*        C  77   4.812  17.530 -12.185
  822   2H5*    C  77          2H5*        C  77   5.723  17.315 -10.677
  823    H4*    C  77           H4*        C  77   3.565  15.453 -11.727
  824    H3*    C  77           H3*        C  77   3.499  17.700  -9.733
  825    H2*    C  77           H2*        C  77   2.395  16.436  -8.132
  826   2HO*    C  77          2HO*        C  77   1.534  14.713 -10.232
  827    H1*    C  77           H1*        C  77   3.321  13.879  -8.817
  828   1H4     C  77          1H4         C  77   6.184  15.631  -3.365
  829   2H4     C  77          2H4         C  77   7.533  16.218  -4.311
  830    H5     C  77           H5         C  77   7.516  16.317  -6.715
  831    H6     C  77           H6         C  77   6.203  15.878  -8.736
  832   1H5*    C  78          1H5*        C  78  -1.498  19.110  -9.559
  833   2H5*    C  78          2H5*        C  78  -0.264  19.676  -8.413
  834    H4*    C  78           H4*        C  78  -2.366  17.563  -8.080
  835    H3*    C  78           H3*        C  78  -1.407  19.953  -6.550
  836    H2*    C  78           H2*        C  78  -1.492  18.896  -4.490
  837   2HO*    C  78          2HO*        C  78  -3.007  16.693  -5.127
  838    H1*    C  78           H1*        C  78  -1.105  16.231  -5.268
  839   1H4     C  78          1H4         C  78   4.235  18.171  -2.344
  840   2H4     C  78          2H4         C  78   4.907  18.558  -3.911
  841    H5     C  78           H5         C  78   3.630  18.471  -5.952
  842    H6     C  78           H6         C  78   1.433  17.997  -6.928
  843   1H5*    U  79          1H5*        U  79  -3.896  23.352  -5.514
  844   2H5*    U  79          2H5*        U  79  -2.643  22.097  -5.573
  845    H4*    U  79           H4*        U  79  -4.999  21.555  -3.833
  846    H3*    U  79           H3*        U  79  -3.129  23.845  -3.329
  847    H2*    U  79           H2*        U  79  -2.558  23.120  -1.200
  848   2HO*    U  79          2HO*        U  79  -5.179  22.199  -1.231
  849    H1*    U  79           H1*        U  79  -2.946  20.357  -1.498
  850    H3     U  79           H3         U  79   1.366  21.362  -0.123
  851    H5     U  79           H5         U  79   1.393  21.340  -4.337
  852    H6     U  79           H6         U  79  -1.031  21.239  -4.287
  853   1H5*    A  80          1H5*        A  80  -5.341  23.646   0.252
  854   2H5*    A  80          2H5*        A  80  -6.070  25.243   0.518
  855    H4*    A  80           H4*        A  80  -4.672  24.272   2.429
  856    H3*    A  80           H3*        A  80  -5.037  26.919   1.750
  857    H2*    A  80           H2*        A  80  -3.043  27.273   0.556
  858   2HO*    A  80          2HO*        A  80  -2.922  28.052   3.073
  859    H1*    A  80           H1*        A  80  -1.432  25.480   2.341
  860    H8     A  80           H8         A  80  -2.472  25.993  -1.389
  861   1H6     A  80          1H6         A  80   3.493  24.942  -2.609
  862   2H6     A  80          2H6         A  80   1.931  25.326  -3.296
  863    H2     A  80           H2         A  80   2.902  24.569   1.831
  864   1H5*    A  81          1H5*        A  81  -6.378  25.997   6.834
  865   2H5*    A  81          2H5*        A  81  -6.106  27.666   7.377
  866    H4*    A  81           H4*        A  81  -5.338  25.970   9.023
  867    H3*    A  81           H3*        A  81  -3.391  27.911   7.811
  868    H2*    A  81           H2*        A  81  -1.546  26.857   8.762
  869   2HO*    A  81          2HO*        A  81  -3.410  25.857  10.658
  870    H1*    A  81           H1*        A  81  -2.475  24.228   8.801
  871    H8     A  81           H8         A  81  -3.137  25.411   5.345
  872   1H6     A  81          1H6         A  81   2.848  24.529   4.098
  873   2H6     A  81          2H6         A  81   1.268  24.845   3.417
  874    H2     A  81           H2         A  81   2.308  24.250   8.552
  875   1H5*    G  82          1H5*        G  82  -1.989  29.918  12.191
  876   2H5*    G  82          2H5*        G  82  -1.365  31.090  11.013
  877    H4*    G  82           H4*        G  82   0.094  29.198  12.536
  878    H3*    G  82           H3*        G  82   0.754  31.243  10.442
  879    H2*    G  82           H2*        G  82   2.748  30.202   9.831
  880   2HO*    G  82          2HO*        G  82   3.019  29.864  12.379
  881    H1*    G  82           H1*        G  82   2.065  27.554  10.233
  882    H8     G  82           H8         G  82  -0.856  28.925   8.412
  883    H1     G  82           H1         G  82   4.227  28.249   4.577
  884   1H2     G  82          1H2         G  82   6.051  27.887   5.792
  885   2H2     G  82          2H2         G  82   6.016  27.813   7.540
  886   1H5*    U  83          1H5*        U  83   4.346  31.772  12.771
  887   2H5*    U  83          2H5*        U  83   4.460  33.512  13.105
  888    H4*    U  83           H4*        U  83   6.445  32.681  11.906
  889    H3*    U  83           H3*        U  83   4.660  34.685  10.541
  890    H2*    U  83           H2*        U  83   5.859  34.540   8.541
  891   2HO*    U  83          2HO*        U  83   8.000  33.055   9.529
  892    H1*    U  83           H1*        U  83   6.567  31.860   8.630
  893    H3     U  83           H3         U  83   3.829  32.275   5.016
  894    H5     U  83           H5         U  83   1.230  32.243   8.337
  895    H6     U  83           H6         U  83   3.177  32.357   9.779
  896   1H5*    C  84          1H5*        C  84   8.329  35.570   9.953
  897   2H5*    C  84          2H5*        C  84   9.082  37.117  10.390
  898    H4*    C  84           H4*        C  84   9.716  36.716   8.144
  899    H3*    C  84           H3*        C  84   7.452  38.699   8.353
  900    H2*    C  84           H2*        C  84   7.232  38.798   6.030
  901   2HO*    C  84          2HO*        C  84   8.930  38.083   4.631
  902    H1*    C  84           H1*        C  84   7.933  36.169   5.422
  903   1H4     C  84          1H4         C  84   1.604  36.278   4.860
  904   2H4     C  84          2H4         C  84   1.417  36.389   6.596
  905    H5     C  84           H5         C  84   3.276  36.577   8.114
  906    H6     C  84           H6         C  84   5.716  36.713   8.298
  907   1H5*    C  85          1H5*        C  85  10.214  39.434   5.660
  908   2H5*    C  85          2H5*        C  85  11.167  40.930   5.720
  909    H4*    C  85           H4*        C  85  10.704  40.542   3.424
  910    H3*    C  85           H3*        C  85   8.916  42.664   4.612
  911    H2*    C  85           H2*        C  85   7.740  42.870   2.596
  912   2HO*    C  85          2HO*        C  85   9.645  41.315   1.193
  913    H1*    C  85           H1*        C  85   7.800  40.212   1.811
  914   1H4     C  85          1H4         C  85   2.018  40.902   4.374
  915   2H4     C  85          2H4         C  85   2.706  40.989   5.978
  916    H5     C  85           H5         C  85   5.072  40.978   6.401
  917    H6     C  85           H6         C  85   7.298  40.889   5.382
  918   1H5*    U  86          1H5*        U  86   9.545  43.553   0.844
  919   2H5*    U  86          2H5*        U  86  10.139  45.206   0.587
  920    H4*    U  86           H4*        U  86   8.165  44.754  -0.793
  921    H3*    U  86           H3*        U  86   7.939  46.797   1.394
  922    H2*    U  86           H2*        U  86   5.659  46.816   1.318
  923   2HO*    U  86          2HO*        U  86   5.162  47.807  -0.478
  924    H1*    U  86           H1*        U  86   5.399  44.526  -0.522
  925    H3     U  86           H3         U  86   1.538  44.035   1.725
  926    H5     U  86           H5         U  86   4.479  43.683   4.728
  927    H6     U  86           H6         U  86   6.143  44.275   3.063
  928    H3T    U  86           H3T        U  86   8.490  48.005  -0.227
  929   1HN1  NCO 101          1HN1      NCO 101 -11.639  12.576   5.049
  930   2HN1  NCO 101          2HN1      NCO 101 -13.199  12.791   5.500
  931   3HN1  NCO 101          3HN1      NCO 101 -12.811  12.696   3.911
  932   1HN2  NCO 101          1HN2      NCO 101 -14.870  11.661   5.589
  933   2HN2  NCO 101          2HN2      NCO 101 -14.662  10.383   6.591
  934   3HN2  NCO 101          3HN2      NCO 101 -15.315  10.162   5.106
  935   1HN3  NCO 101          1HN3      NCO 101 -12.008  11.310   7.043
  936   2HN3  NCO 101          2HN3      NCO 101 -11.182   9.943   6.682
  937   3HN3  NCO 101          3HN3      NCO 101 -12.693   9.846   7.308
  938   1HN4  NCO 101          1HN4      NCO 101 -11.114   9.599   3.299
  939   2HN4  NCO 101          2HN4      NCO 101 -10.479   9.654   4.807
  940   3HN4  NCO 101          3HN4      NCO 101 -10.647  11.032   3.939
  941   1HN5  NCO 101          1HN5      NCO 101 -14.124  11.293   2.960
  942   2HN5  NCO 101          2HN5      NCO 101 -14.179   9.658   2.925
  943   3HN5  NCO 101          3HN5      NCO 101 -12.840  10.443   2.405
  944   1HN6  NCO 101          1HN6      NCO 101 -13.344   8.100   4.062
  945   2HN6  NCO 101          2HN6      NCO 101 -13.880   8.249   5.601
  946   3HN6  NCO 101          3HN6      NCO 101 -12.288   8.007   5.310
  947   1HN1  NCO 102          1HN1      NCO 102  -9.707 -15.453  -0.229
  948   2HN1  NCO 102          2HN1      NCO 102 -11.043 -15.031  -1.074
  949   3HN1  NCO 102          3HN1      NCO 102 -10.866 -16.568  -0.536
  950   1HN2  NCO 102          1HN2      NCO 102 -11.646 -16.415  -3.774
  951   2HN2  NCO 102          2HN2      NCO 102 -10.927 -17.886  -3.769
  952   3HN2  NCO 102          3HN2      NCO 102 -11.698 -17.348  -2.429
  953   1HN3  NCO 102          1HN3      NCO 102  -8.330 -18.461  -2.404
  954   2HN3  NCO 102          2HN3      NCO 102  -8.440 -17.789  -0.916
  955   3HN3  NCO 102          3HN3      NCO 102  -9.746 -18.515  -1.584
  956   1HN4  NCO 102          1HN4      NCO 102  -7.179 -16.148  -1.631
  957   2HN4  NCO 102          2HN4      NCO 102  -7.396 -14.889  -2.656
  958   3HN4  NCO 102          3HN4      NCO 102  -8.028 -14.834  -1.147
  959   1HN5  NCO 102          1HN5      NCO 102  -9.788 -13.796  -2.720
  960   2HN5  NCO 102          2HN5      NCO 102 -11.002 -14.545  -3.522
  961   3HN5  NCO 102          3HN5      NCO 102  -9.531 -14.392  -4.223
  962   1HN6  NCO 102          1HN6      NCO 102  -9.264 -16.866  -4.983
  963   2HN6  NCO 102          2HN6      NCO 102  -8.094 -17.635  -4.134
  964   3HN6  NCO 102          3HN6      NCO 102  -7.921 -16.054  -4.519
  965   1HN1  NCO 103          1HN1      NCO 103  10.805 -12.596   2.267
  966   2HN1  NCO 103          2HN1      NCO 103  10.344 -11.608   3.488
  967   3HN1  NCO 103          3HN1      NCO 103  11.797 -12.359   3.548
  968   1HN2  NCO 103          1HN2      NCO 103  10.907 -10.117  -0.230
  969   2HN2  NCO 103          2HN2      NCO 103  10.369 -11.507   0.449
  970   3HN2  NCO 103          3HN2      NCO 103   9.741 -10.069   0.915
  971   1HN3  NCO 103          1HN3      NCO 103  13.833 -11.127   0.557
  972   2HN3  NCO 103          2HN3      NCO 103  13.514 -12.294   1.659
  973   3HN3  NCO 103          3HN3      NCO 103  12.557 -12.131   0.340
  974   1HN4  NCO 103          1HN4      NCO 103  13.113 -10.943   4.136
  975   2HN4  NCO 103          2HN4      NCO 103  13.296  -9.348   3.815
  976   3HN4  NCO 103          3HN4      NCO 103  14.214 -10.450   3.027
  977   1HN5  NCO 103          1HN5      NCO 103   9.841  -9.315   2.753
  978   2HN5  NCO 103          2HN5      NCO 103  10.890  -9.368   4.008
  979   3HN5  NCO 103          3HN5      NCO 103  11.062  -8.228   2.845
  980   1HN6  NCO 103          1HN6      NCO 103  13.675  -9.135   0.732
  981   2HN6  NCO 103          2HN6      NCO 103  12.187  -8.632   0.270
  982   3HN6  NCO 103          3HN6      NCO 103  12.835  -8.091   1.674
  983   1HN1  NCO 104          1HN1      NCO 104   7.898  16.019  -1.787
  984   2HN1  NCO 104          2HN1      NCO 104   9.319  15.766  -2.559
  985   3HN1  NCO 104          3HN1      NCO 104   8.397  14.493  -2.104
  986   1HN2  NCO 104          1HN2      NCO 104  10.425  17.627   0.556
  987   2HN2  NCO 104          2HN2      NCO 104  10.501  17.488  -1.074
  988   3HN2  NCO 104          3HN2      NCO 104   9.064  17.774  -0.341
  989   1HN3  NCO 104          1HN3      NCO 104  11.138  14.512  -1.903
  990   2HN3  NCO 104          2HN3      NCO 104  11.775  15.882  -1.271
  991   3HN3  NCO 104          3HN3      NCO 104  11.925  14.461  -0.469
  992   1HN4  NCO 104          1HN4      NCO 104   8.331  13.252  -0.124
  993   2HN4  NCO 104          2HN4      NCO 104   9.593  13.102   0.908
  994   3HN4  NCO 104          3HN4      NCO 104   9.835  12.960  -0.705
  995   1HN5  NCO 104          1HN5      NCO 104   7.895  15.181   1.651
  996   2HN5  NCO 104          2HN5      NCO 104   7.172  15.418   0.200
  997   3HN5  NCO 104          3HN5      NCO 104   7.845  16.681   0.994
  998   1HN6  NCO 104          1HN6      NCO 104  10.113  15.940   2.258
  999   2HN6  NCO 104          2HN6      NCO 104  10.605  14.405   1.969
 1000   3HN6  NCO 104          3HN6      NCO 104  11.523  15.666   1.474
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   6.130 -46.887 -10.237
    2   2H5*    G   1          2H5*        G   1   6.725 -45.264  -9.835
    3    H4*    G   1           H4*        G   1   6.072 -45.468 -12.212
    4    H3*    G   1           H3*        G   1   4.675 -43.521 -10.410
    5    H2*    G   1           H2*        G   1   3.024 -42.999 -11.987
    6   2HO*    G   1          2HO*        G   1   4.948 -43.926 -13.825
    7    H1*    G   1           H1*        G   1   2.623 -45.463 -13.088
    8    H8     G   1           H8         G   1   3.194 -45.943  -9.380
    9    H1     G   1           H1         G   1  -2.747 -44.006 -10.775
   10   1H2     G   1          1H2         G   1  -2.872 -43.419 -12.912
   11   2H2     G   1          2H2         G   1  -1.499 -43.501 -13.991
   12    H5T    G   1           H5T        G   1   5.224 -46.185  -8.307
   13   1H5*    G   2          1H5*        G   2   4.297 -41.879 -13.831
   14   2H5*    G   2          2H5*        G   2   5.038 -40.273 -13.969
   15    H4*    G   2           H4*        G   2   2.715 -40.189 -14.699
   16    H3*    G   2           H3*        G   2   3.365 -38.756 -12.123
   17    H2*    G   2           H2*        G   2   1.126 -38.258 -11.760
   18   2HO*    G   2          2HO*        G   2  -0.288 -38.562 -13.847
   19    H1*    G   2           H1*        G   2  -0.020 -40.415 -13.216
   20    H8     G   2           H8         G   2   2.335 -41.479 -10.430
   21    H1     G   2           H1         G   2  -3.653 -40.341  -8.459
   22   1H2     G   2          1H2         G   2  -4.817 -39.390 -10.094
   23   2H2     G   2          2H2         G   2  -4.124 -39.039 -11.661
   24   1H5*    G   3          1H5*        G   3   1.166 -36.779 -14.740
   25   2H5*    G   3          2H5*        G   3   1.530 -35.147 -15.338
   26    H4*    G   3           H4*        G   3  -0.808 -35.215 -14.828
   27    H3*    G   3           H3*        G   3   0.855 -33.697 -12.824
   28    H2*    G   3           H2*        G   3  -0.976 -33.378 -11.415
   29   2HO*    G   3          2HO*        G   3  -2.776 -34.118 -13.483
   30    H1*    G   3           H1*        G   3  -2.367 -35.739 -11.961
   31    H8     G   3           H8         G   3   1.370 -36.149 -11.191
   32    H1     G   3           H1         G   3  -2.428 -36.172  -6.036
   33   1H2     G   3          1H2         G   3  -4.496 -35.637  -6.622
   34   2H2     G   3          2H2         G   3  -4.944 -35.272  -8.271
   35   1H5*    A   4          1H5*        A   4  -2.591 -32.024 -13.842
   36   2H5*    A   4          2H5*        A   4  -2.650 -30.428 -14.617
   37    H4*    A   4           H4*        A   4  -4.464 -30.443 -13.107
   38    H3*    A   4           H3*        A   4  -2.093 -28.938 -12.025
   39    H2*    A   4           H2*        A   4  -3.082 -28.671  -9.928
   40   2HO*    A   4          2HO*        A   4  -5.584 -29.290 -11.148
   41    H1*    A   4           H1*        A   4  -4.518 -31.044  -9.790
   42    H8     A   4           H8         A   4  -0.829 -31.151 -10.948
   43   1H6     A   4          1H6         A   4   0.499 -32.353  -5.038
   44   2H6     A   4          2H6         A   4   1.144 -32.202  -6.656
   45    H2     A   4           H2         A   4  -3.910 -31.507  -5.320
   46   1H5*    U   5          1H5*        U   5  -5.518 -27.012 -10.791
   47   2H5*    U   5          2H5*        U   5  -5.420 -25.248 -10.964
   48    H4*    U   5           H4*        U   5  -5.951 -25.955  -8.648
   49    H3*    U   5           H3*        U   5  -3.426 -24.424  -9.214
   50    H2*    U   5           H2*        U   5  -2.623 -24.701  -7.047
   51   2HO*    U   5          2HO*        U   5  -5.141 -25.502  -6.045
   52    H1*    U   5           H1*        U   5  -3.792 -27.164  -6.421
   53    H3     U   5           H3         U   5   0.521 -28.378  -6.096
   54    H5     U   5           H5         U   5   0.109 -27.350 -10.162
   55    H6     U   5           H6         U   5  -2.157 -26.629  -9.683
   56   1H5*    A   6          1H5*        A   6  -7.754 -22.114  -5.912
   57   2H5*    A   6          2H5*        A   6  -6.392 -21.020  -5.594
   58    H4*    A   6           H4*        A   6  -7.644 -23.076  -3.774
   59    H3*    A   6           H3*        A   6  -7.974 -20.339  -3.845
   60    H2*    A   6           H2*        A   6  -5.802 -19.666  -3.277
   61   2HO*    A   6          2HO*        A   6  -5.635 -19.705  -0.861
   62    H1*    A   6           H1*        A   6  -5.312 -21.969  -1.431
   63    H8     A   6           H8         A   6  -3.912 -20.707  -4.852
   64   1H6     A   6          1H6         A   6   1.532 -20.575  -1.926
   65   2H6     A   6          2H6         A   6   0.716 -20.297  -3.446
   66    H2     A   6           H2         A   6  -1.589 -21.895   1.018
   67   1H5*    U   7          1H5*        U   7  -9.294 -22.052   1.210
   68   2H5*    U   7          2H5*        U   7  -9.319 -20.400   1.858
   69    H4*    U   7           H4*        U   7  -8.138 -21.533   3.500
   70    H3*    U   7           H3*        U   7  -6.576 -19.777   2.013
   71    H2*    U   7           H2*        U   7  -5.371 -21.347   0.760
   72   2HO*    U   7          2HO*        U   7  -3.452 -21.931   1.904
   73    H1*    U   7           H1*        U   7  -5.349 -23.369   2.978
   74    H3     U   7           H3         U   7  -6.819 -26.552  -0.451
   75    H5     U   7           H5         U   7  -3.374 -24.378  -1.537
   76    H6     U   7           H6         U   7  -3.815 -22.878   0.321
   77   1H5*    G   8          1H5*        G   8  -2.516 -20.905   3.339
   78   2H5*    G   8          2H5*        G   8  -2.650 -19.964   4.838
   79    H4*    G   8           H4*        G   8  -0.629 -19.189   4.076
   80    H3*    G   8           H3*        G   8  -2.767 -17.415   2.946
   81    H2*    G   8           H2*        G   8  -1.322 -16.371   1.444
   82   2HO*    G   8          2HO*        G   8   0.266 -15.969   3.140
   83    H1*    G   8           H1*        G   8   0.348 -18.476   0.829
   84    H8     G   8           H8         G   8  -3.303 -19.543   0.896
   85    H1     G   8           H1         G   8  -1.519 -16.840  -4.623
   86   1H2     G   8          1H2         G   8   0.508 -15.983  -4.432
   87   2H2     G   8          2H2         G   8   1.430 -16.071  -2.950
   88   1H5*    G   9          1H5*        G   9  -2.097 -12.914   3.496
   89   2H5*    G   9          2H5*        G   9  -3.331 -13.411   2.320
   90    H4*    G   9           H4*        G   9  -0.401 -12.878   1.910
   91    H3*    G   9           H3*        G   9  -2.977 -11.962   0.670
   92    H2*    G   9           H2*        G   9  -2.106 -11.996  -1.502
   93   2HO*    G   9          2HO*        G   9   0.146 -12.021  -1.903
   94    H1*    G   9           H1*        G   9  -0.495 -14.204  -1.329
   95    H8     G   9           H8         G   9  -3.323 -15.610   0.434
   96    H1     G   9           H1         G   9  -4.926 -14.425  -5.650
   97   1H2     G   9          1H2         G   9  -3.409 -13.100  -6.587
   98   2H2     G   9          2H2         G   9  -2.012 -12.504  -5.719
   99   1H5*    A  10          1H5*        A  10  -0.446  -8.458   0.256
  100   2H5*    A  10          2H5*        A  10  -1.267  -6.913   0.554
  101    H4*    A  10           H4*        A  10  -0.627  -7.291  -1.840
  102    H3*    A  10           H3*        A  10  -3.514  -6.868  -1.072
  103    H2*    A  10           H2*        A  10  -4.214  -7.226  -3.266
  104   2HO*    A  10          2HO*        A  10  -1.850  -7.197  -4.620
  105    H1*    A  10           H1*        A  10  -2.210  -9.023  -4.063
  106    H8     A  10           H8         A  10  -3.571 -10.455  -0.936
  107   1H6     A  10          1H6         A  10  -8.465 -12.426  -4.149
  108   2H6     A  10          2H6         A  10  -7.607 -12.529  -2.630
  109    H2     A  10           H2         A  10  -6.174  -9.558  -6.741
  110   1H5*    A  11          1H5*        A  11  -2.164  -3.838  -4.111
  111   2H5*    A  11          2H5*        A  11  -2.966  -2.276  -3.845
  112    H4*    A  11           H4*        A  11  -3.136  -3.155  -6.194
  113    H3*    A  11           H3*        A  11  -5.619  -2.572  -4.576
  114    H2*    A  11           H2*        A  11  -6.987  -3.319  -6.338
  115   2HO*    A  11          2HO*        A  11  -4.821  -3.518  -8.138
  116    H1*    A  11           H1*        A  11  -5.426  -5.429  -7.186
  117    H8     A  11           H8         A  11  -5.444  -5.417  -3.408
  118   1H6     A  11          1H6         A  11 -10.831  -8.432  -3.750
  119   2H6     A  11          2H6         A  11  -9.543  -7.908  -2.687
  120    H2     A  11           H2         A  11  -9.775  -7.001  -7.877
  121   1H5*    G  12          1H5*        G  12  -6.470   0.196  -7.911
  122   2H5*    G  12          2H5*        G  12  -7.068   1.674  -7.133
  123    H4*    G  12           H4*        G  12  -8.716   0.615  -8.681
  124    H3*    G  12           H3*        G  12  -9.409   0.900  -5.751
  125    H2*    G  12           H2*        G  12 -11.488  -0.129  -6.138
  126   2HO*    G  12          2HO*        G  12 -12.561   0.088  -7.965
  127    H1*    G  12           H1*        G  12 -10.662  -1.940  -8.078
  128    H8     G  12           H8         G  12  -8.222  -1.933  -5.182
  129    H1     G  12           H1         G  12 -13.512  -5.353  -4.050
  130   1H2     G  12          1H2         G  12 -15.012  -4.978  -5.645
  131   2H2     G  12          2H2         G  12 -14.709  -3.888  -6.977
  132   1H5*    A  13          1H5*        A  13 -12.539   2.171  -7.775
  133   2H5*    A  13          2H5*        A  13 -13.071   3.841  -7.494
  134    H4*    A  13           H4*        A  13 -15.032   2.535  -7.334
  135    H3*    A  13           H3*        A  13 -13.947   3.220  -4.599
  136    H2*    A  13           H2*        A  13 -15.611   1.929  -3.573
  137   2HO*    A  13          2HO*        A  13 -17.504   1.269  -4.741
  138    H1*    A  13           H1*        A  13 -15.816  -0.079  -5.488
  139    H8     A  13           H8         A  13 -12.263   0.932  -4.388
  140   1H6     A  13          1H6         A  13 -12.771  -3.588  -0.208
  141   2H6     A  13          2H6         A  13 -11.698  -2.410  -0.929
  142    H2     A  13           H2         A  13 -16.757  -3.123  -2.234
  143   1H5*    A  14          1H5*        A  14 -18.399   3.818  -4.626
  144   2H5*    A  14          2H5*        A  14 -18.624   5.426  -3.905
  145    H4*    A  14           H4*        A  14 -20.111   3.775  -2.865
  146    H3*    A  14           H3*        A  14 -17.919   4.941  -1.146
  147    H2*    A  14           H2*        A  14 -18.521   3.570   0.641
  148   2HO*    A  14          2HO*        A  14 -20.957   2.724  -0.447
  149    H1*    A  14           H1*        A  14 -19.446   1.362  -0.818
  150    H8     A  14           H8         A  14 -15.984   2.864  -1.636
  151   1H6     A  14          1H6         A  14 -13.747  -1.330   2.306
  152   2H6     A  14          2H6         A  14 -13.341  -0.083   1.149
  153    H2     A  14           H2         A  14 -18.238  -1.543   2.460
  154   1H5*    C  15          1H5*        C  15 -21.984   4.819   0.976
  155   2H5*    C  15          2H5*        C  15 -22.116   6.448   1.668
  156    H4*    C  15           H4*        C  15 -22.754   4.852   3.355
  157    H3*    C  15           H3*        C  15 -20.045   6.111   3.817
  158    H2*    C  15           H2*        C  15 -19.753   4.810   5.751
  159   2HO*    C  15          2HO*        C  15 -21.410   3.981   6.923
  160    H1*    C  15           H1*        C  15 -21.000   2.494   4.860
  161   1H4     C  15          1H4         C  15 -14.828   1.233   4.042
  162   2H4     C  15          2H4         C  15 -14.695   2.464   2.808
  163    H5     C  15           H5         C  15 -16.521   3.893   2.167
  164    H6     C  15           H6         C  15 -18.866   4.471   2.589
  165   1H5*    C  16          1H5*        C  16 -21.664   6.234   7.447
  166   2H5*    C  16          2H5*        C  16 -21.431   7.785   8.280
  167    H4*    C  16           H4*        C  16 -20.401   6.035   9.589
  168    H3*    C  16           H3*        C  16 -18.473   7.879   8.174
  169    H2*    C  16           H2*        C  16 -16.649   6.632   8.922
  170   2HO*    C  16          2HO*        C  16 -17.997   5.071  10.782
  171    H1*    C  16           H1*        C  16 -17.882   4.113   9.015
  172   1H4     C  16          1H4         C  16 -14.082   3.770   3.947
  173   2H4     C  16          2H4         C  16 -15.003   5.002   3.111
  174    H5     C  16           H5         C  16 -16.889   6.137   4.095
  175    H6     C  16           H6         C  16 -18.264   6.372   6.112
  176   1H5*    G  17          1H5*        G  17 -17.992   7.639  12.987
  177   2H5*    G  17          2H5*        G  17 -17.532   9.312  13.359
  178    H4*    G  17           H4*        G  17 -16.198   7.722  14.662
  179    H3*    G  17           H3*        G  17 -14.767   9.380  12.590
  180    H2*    G  17           H2*        G  17 -12.737   8.282  13.018
  181   2HO*    G  17          2HO*        G  17 -13.879   7.159  15.373
  182    H1*    G  17           H1*        G  17 -13.718   5.741  13.445
  183    H8     G  17           H8         G  17 -15.449   7.464  10.527
  184    H1     G  17           H1         G  17  -9.897   4.704   8.944
  185   1H2     G  17          1H2         G  17  -8.842   4.010  10.779
  186   2H2     G  17          2H2         G  17  -9.498   4.241  12.384
  187   1H5*    G  18          1H5*        G  18 -12.254   8.870  15.519
  188   2H5*    G  18          2H5*        G  18 -11.712  10.377  16.282
  189    H4*    G  18           H4*        G  18  -9.781   9.007  15.788
  190    H3*    G  18           H3*        G  18 -10.095  11.445  14.031
  191    H2*    G  18           H2*        G  18  -8.260  10.814  12.746
  192   2HO*    G  18          2HO*        G  18  -6.943   8.948  13.984
  193    H1*    G  18           H1*        G  18  -8.412   8.010  13.180
  194    H8     G  18           H8         G  18 -11.553   9.594  11.718
  195    H1     G  18           H1         G  18  -7.148   8.051   7.339
  196   1H2     G  18          1H2         G  18  -5.256   7.462   8.335
  197   2H2     G  18          2H2         G  18  -5.077   7.449  10.075
  198   1H5*    G  19          1H5*        G  19  -6.038  10.689  14.895
  199   2H5*    G  19          2H5*        G  19  -5.410  12.091  15.788
  200    H4*    G  19           H4*        G  19  -3.761  11.480  14.161
  201    H3*    G  19           H3*        G  19  -5.315  13.969  13.470
  202    H2*    G  19           H2*        G  19  -4.314  14.120  11.376
  203   2HO*    G  19          2HO*        G  19  -2.172  13.221  12.762
  204    H1*    G  19           H1*        G  19  -3.826  11.385  10.922
  205    H8     G  19           H8         G  19  -7.355  12.642  11.883
  206    H1     G  19           H1         G  19  -6.285  12.109   5.594
  207   1H2     G  19          1H2         G  19  -4.161  11.583   5.226
  208   2H2     G  19          2H2         G  19  -3.009  11.363   6.524
  209   1H5*    G  20          1H5*        G  20  -4.070  17.994  14.079
  210   2H5*    G  20          2H5*        G  20  -5.571  17.722  13.171
  211    H4*    G  20           H4*        G  20  -2.726  17.545  12.281
  212    H3*    G  20           H3*        G  20  -5.296  18.664  11.212
  213    H2*    G  20           H2*        G  20  -4.813  18.069   8.994
  214   2HO*    G  20          2HO*        G  20  -2.539  17.188   8.616
  215    H1*    G  20           H1*        G  20  -3.692  15.628   9.400
  216    H8     G  20           H8         G  20  -6.311  15.614  12.014
  217    H1     G  20           H1         G  20  -8.887  15.225   6.169
  218   1H2     G  20          1H2         G  20  -7.362  15.654   4.635
  219   2H2     G  20          2H2         G  20  -5.706  16.044   5.036
  220   1H5*    A  21          1H5*        A  21  -6.246  22.568  11.139
  221   2H5*    A  21          2H5*        A  21  -6.782  21.143  10.227
  222    H4*    A  21           H4*        A  21  -7.097  23.643   9.316
  223    H3*    A  21           H3*        A  21  -6.742  21.047   7.898
  224    H2*    A  21           H2*        A  21  -6.084  21.975   5.857
  225   2HO*    A  21          2HO*        A  21  -6.418  24.377   5.589
  226    H1*    A  21           H1*        A  21  -4.642  24.133   6.693
  227    H8     A  21           H8         A  21  -4.038  21.131   8.975
  228   1H6     A  21          1H6         A  21   0.495  19.561   5.099
  229   2H6     A  21          2H6         A  21  -0.266  19.225   6.638
  230    H2     A  21           H2         A  21  -1.789  22.955   3.236
  231   1H5*    A  22          1H5*        A  22  -9.580  19.450   4.609
  232   2H5*    A  22          2H5*        A  22  -8.139  19.403   5.647
  233    H4*    A  22           H4*        A  22  -8.371  21.149   3.176
  234    H3*    A  22           H3*        A  22  -7.545  18.278   3.406
  235    H2*    A  22           H2*        A  22  -5.504  18.591   2.335
  236   2HO*    A  22          2HO*        A  22  -5.667  19.595   0.501
  237    H1*    A  22           H1*        A  22  -4.933  21.202   3.074
  238    H8     A  22           H8         A  22  -5.727  19.880   6.352
  239   1H6     A  22          1H6         A  22  -0.414  16.741   6.341
  240   2H6     A  22          2H6         A  22  -1.738  17.327   7.324
  241    H2     A  22           H2         A  22  -1.232  18.087   2.130
  242   1H5*    A  23          1H5*        A  23  -8.115  17.085  -1.660
  243   2H5*    A  23          2H5*        A  23  -8.028  15.623  -0.656
  244    H4*    A  23           H4*        A  23  -6.128  16.542  -2.520
  245    H3*    A  23           H3*        A  23  -6.288  14.289  -0.558
  246    H2*    A  23           H2*        A  23  -3.968  14.029  -0.369
  247   2HO*    A  23          2HO*        A  23  -3.249  15.758  -2.427
  248    H1*    A  23           H1*        A  23  -3.160  16.621  -0.480
  249    H8     A  23           H8         A  23  -6.436  16.331   1.449
  250   1H6     A  23          1H6         A  23  -2.974  15.303   6.462
  251   2H6     A  23          2H6         A  23  -4.595  15.622   5.877
  252    H2     A  23           H2         A  23  -0.261  15.259   2.861
  253   1H5*    C  24          1H5*        C  24  -4.535  12.315  -3.273
  254   2H5*    C  24          2H5*        C  24  -4.956  10.610  -3.533
  255    H4*    C  24           H4*        C  24  -2.948  10.983  -2.066
  256    H3*    C  24           H3*        C  24  -5.353   9.467  -1.052
  257    H2*    C  24           H2*        C  24  -4.387   9.246   1.066
  258   2HO*    C  24          2HO*        C  24  -1.839  10.125   0.318
  259    H1*    C  24           H1*        C  24  -2.981  11.658   1.135
  260   1H4     C  24          1H4         C  24  -8.033  12.585   4.890
  261   2H4     C  24          2H4         C  24  -9.064  12.783   3.490
  262    H5     C  24           H5         C  24  -8.291  12.476   1.228
  263    H6     C  24           H6         C  24  -6.365  11.916  -0.179
  264   1H5*    U  25          1H5*        U  25  -2.327   7.776   0.395
  265   2H5*    U  25          2H5*        U  25  -2.122   6.028   0.169
  266    H4*    U  25           H4*        U  25  -1.974   6.562   2.530
  267    H3*    U  25           H3*        U  25  -4.459   5.075   1.680
  268    H2*    U  25           H2*        U  25  -5.338   5.208   3.834
  269   2HO*    U  25          2HO*        U  25  -3.683   5.814   5.592
  270    H1*    U  25           H1*        U  25  -4.024   7.584   4.659
  271    H3     U  25           H3         U  25  -8.352   8.616   5.444
  272    H5     U  25           H5         U  25  -8.087   8.467   1.240
  273    H6     U  25           H6         U  25  -5.820   7.641   1.477
  274   1H5*    U  26          1H5*        U  26  -2.801   3.855   4.950
  275   2H5*    U  26          2H5*        U  26  -2.099   2.232   5.110
  276    H4*    U  26           H4*        U  26  -3.110   2.463   7.171
  277    H3*    U  26           H3*        U  26  -5.167   1.242   5.325
  278    H2*    U  26           H2*        U  26  -6.794   1.385   6.990
  279   2HO*    U  26          2HO*        U  26  -5.199   2.076   9.129
  280    H1*    U  26           H1*        U  26  -5.905   3.721   8.240
  281    H3     U  26           H3         U  26  -9.905   5.194   6.809
  282    H5     U  26           H5         U  26  -7.934   4.151   3.236
  283    H6     U  26           H6         U  26  -6.086   3.325   4.571
  284   1H5*    G  27          1H5*        G  27  -5.245  -0.481   8.957
  285   2H5*    G  27          2H5*        G  27  -5.730  -2.185   9.066
  286    H4*    G  27           H4*        G  27  -7.263  -0.667  10.292
  287    H3*    G  27           H3*        G  27  -8.389  -2.182   7.922
  288    H2*    G  27           H2*        G  27 -10.458  -1.166   8.282
  289   2HO*    G  27          2HO*        G  27 -10.416   0.001  10.618
  290    H1*    G  27           H1*        G  27  -9.470   1.221   9.478
  291    H8     G  27           H8         G  27  -8.309   0.233   5.933
  292    H1     G  27           H1         G  27 -13.514   3.954   6.159
  293   1H2     G  27          1H2         G  27 -14.182   4.187   8.267
  294   2H2     G  27          2H2         G  27 -13.343   3.431   9.603
  295   1H5*    G  28          1H5*        G  28 -10.821  -3.468  11.767
  296   2H5*    G  28          2H5*        G  28 -10.592  -5.225  11.647
  297    H4*    G  28           H4*        G  28 -12.855  -5.036  12.177
  298    H3*    G  28           H3*        G  28 -12.506  -5.323   9.203
  299    H2*    G  28           H2*        G  28 -14.781  -4.899   8.785
  300   2HO*    G  28          2HO*        G  28 -15.458  -4.979  11.525
  301    H1*    G  28           H1*        G  28 -15.205  -2.923  10.616
  302    H8     G  28           H8         G  28 -11.748  -2.846   8.922
  303    H1     G  28           H1         G  28 -16.295   0.386   5.784
  304   1H2     G  28          1H2         G  28 -18.263   0.087   6.778
  305   2H2     G  28          2H2         G  28 -18.459  -0.931   8.188
  306   1H5*    U  29          1H5*        U  29 -16.052  -7.239   9.699
  307   2H5*    U  29          2H5*        U  29 -15.925  -8.873   9.017
  308    H4*    U  29           H4*        U  29 -17.801  -7.672   8.014
  309    H3*    U  29           H3*        U  29 -15.451  -8.215   6.189
  310    H2*    U  29           H2*        U  29 -16.520  -7.088   4.451
  311   2HO*    U  29          2HO*        U  29 -19.004  -6.667   5.132
  312    H1*    U  29           H1*        U  29 -18.020  -5.280   6.030
  313    H3     U  29           H3         U  29 -15.711  -2.542   3.267
  314    H5     U  29           H5         U  29 -12.753  -4.167   5.795
  315    H6     U  29           H6         U  29 -14.453  -5.617   6.741
  316   1H5*    U  30          1H5*        U  30 -19.455  -9.270   4.476
  317   2H5*    U  30          2H5*        U  30 -19.271 -10.786   3.572
  318    H4*    U  30           H4*        U  30 -20.482  -9.058   2.280
  319    H3*    U  30           H3*        U  30 -17.787  -9.949   1.221
  320    H2*    U  30           H2*        U  30 -18.035  -8.481  -0.592
  321   2HO*    U  30          2HO*        U  30 -20.471  -7.503  -0.480
  322    H1*    U  30           H1*        U  30 -19.421  -6.459   0.761
  323    H3     U  30           H3         U  30 -15.658  -4.318  -0.500
  324    H5     U  30           H5         U  30 -14.319  -7.067   2.404
  325    H6     U  30           H6         U  30 -16.561  -7.996   2.461
  326   1H5*    C  31          1H5*        C  31 -20.510 -10.061  -1.925
  327   2H5*    C  31          2H5*        C  31 -20.175 -11.350  -3.098
  328    H4*    C  31           H4*        C  31 -20.103  -9.057  -4.083
  329    H3*    C  31           H3*        C  31 -17.571 -10.721  -4.117
  330    H2*    C  31           H2*        C  31 -16.460  -8.971  -5.192
  331   2HO*    C  31          2HO*        C  31 -18.486  -8.833  -6.665
  332    H1*    C  31           H1*        C  31 -17.949  -6.848  -4.063
  333   1H4     C  31          1H4         C  31 -12.192  -6.409  -1.409
  334   2H4     C  31          2H4         C  31 -12.462  -7.874  -0.492
  335    H5     C  31           H5         C  31 -14.450  -9.219  -0.707
  336    H6     C  31           H6         C  31 -16.588  -9.472  -1.879
  337   1H5*    U  32          1H5*        U  32 -18.324  -9.759  -8.500
  338   2H5*    U  32          2H5*        U  32 -18.135 -11.340  -9.285
  339    H4*    U  32           H4*        U  32 -16.786  -9.705 -10.455
  340    H3*    U  32           H3*        U  32 -15.269 -11.754  -8.846
  341    H2*    U  32           H2*        U  32 -13.218 -10.727  -9.336
  342   2HO*    U  32          2HO*        U  32 -13.848  -8.797 -11.086
  343    H1*    U  32           H1*        U  32 -14.034  -8.094  -9.260
  344    H3     U  32           H3         U  32 -11.450  -8.283  -5.575
  345    H5     U  32           H5         U  32 -14.769 -10.671  -4.570
  346    H6     U  32           H6         U  32 -15.576 -10.387  -6.841
  347   1H5*    U  33          1H5*        U  33 -13.590 -10.745 -12.552
  348   2H5*    U  33          2H5*        U  33 -12.939 -12.112 -13.478
  349    H4*    U  33           H4*        U  33 -11.351 -10.187 -13.218
  350    H3*    U  33           H3*        U  33 -10.635 -12.944 -12.243
  351    H2*    U  33           H2*        U  33  -8.693 -12.191 -11.223
  352   2HO*    U  33          2HO*        U  33  -8.396 -10.934 -13.470
  353    H1*    U  33           H1*        U  33  -9.445  -9.487 -10.787
  354    H3     U  33           H3         U  33  -8.208 -10.686  -6.615
  355    H5     U  33           H5         U  33 -11.634 -13.025  -7.359
  356    H6     U  33           H6         U  33 -11.626 -12.199  -9.640
  357   1H5*    C  34          1H5*        C  34  -6.193 -13.179 -14.903
  358   2H5*    C  34          2H5*        C  34  -6.225 -14.432 -13.645
  359    H4*    C  34           H4*        C  34  -4.947 -11.743 -13.644
  360    H3*    C  34           H3*        C  34  -4.289 -14.493 -12.623
  361    H2*    C  34           H2*        C  34  -3.227 -13.684 -10.726
  362   2HO*    C  34          2HO*        C  34  -1.863 -12.096 -10.892
  363    H1*    C  34           H1*        C  34  -4.619 -11.269 -10.392
  364   1H4     C  34          1H4         C  34  -6.504 -15.259  -5.761
  365   2H4     C  34          2H4         C  34  -7.842 -15.746  -6.777
  366    H5     C  34           H5         C  34  -8.093 -15.034  -9.063
  367    H6     C  34           H6         C  34  -7.114 -13.700 -10.872
  368   1H5*    C  35          1H5*        C  35   0.885 -14.929 -13.196
  369   2H5*    C  35          2H5*        C  35  -0.184 -15.929 -12.192
  370    H4*    C  35           H4*        C  35   1.619 -13.655 -11.361
  371    H3*    C  35           H3*        C  35   1.426 -16.576 -10.749
  372    H2*    C  35           H2*        C  35   1.619 -16.313  -8.456
  373   2HO*    C  35          2HO*        C  35   3.576 -14.845  -9.028
  374    H1*    C  35           H1*        C  35   0.569 -13.741  -8.135
  375   1H4     C  35          1H4         C  35  -3.764 -17.890  -5.905
  376   2H4     C  35          2H4         C  35  -4.567 -17.810  -7.455
  377    H5     C  35           H5         C  35  -3.655 -16.659  -9.357
  378    H6     C  35           H6         C  35  -1.774 -15.328 -10.191
  379   1H5*    U  36          1H5*        U  36   4.603 -19.478 -11.237
  380   2H5*    U  36          2H5*        U  36   3.022 -19.987 -10.606
  381    H4*    U  36           H4*        U  36   5.391 -18.859  -9.115
  382    H3*    U  36           H3*        U  36   3.821 -21.409  -9.046
  383    H2*    U  36           H2*        U  36   3.678 -21.468  -6.726
  384   2HO*    U  36          2HO*        U  36   5.650 -19.495  -6.336
  385    H1*    U  36           H1*        U  36   3.627 -18.758  -6.151
  386    H3     U  36           H3         U  36  -0.324 -20.699  -4.813
  387    H5     U  36           H5         U  36  -0.853 -19.642  -8.859
  388    H6     U  36           H6         U  36   1.522 -19.157  -8.974
  389   1H5*    A  37          1H5*        A  37   7.783 -23.918  -6.158
  390   2H5*    A  37          2H5*        A  37   6.690 -24.969  -7.080
  391    H4*    A  37           H4*        A  37   6.653 -24.243  -4.245
  392    H3*    A  37           H3*        A  37   6.333 -26.596  -5.649
  393    H2*    A  37           H2*        A  37   4.167 -26.261  -6.484
  394   2HO*    A  37          2HO*        A  37   3.253 -27.773  -5.361
  395    H1*    A  37           H1*        A  37   3.214 -24.765  -4.073
  396    H8     A  37           H8         A  37   3.862 -24.030  -7.857
  397   1H6     A  37          1H6         A  37  -2.079 -22.340  -7.972
  398   2H6     A  37          2H6         A  37  -0.611 -22.503  -8.911
  399    H2     A  37           H2         A  37  -1.113 -23.710  -3.802
  400   1H5*    A  38          1H5*        A  38   9.013 -28.145  -0.849
  401   2H5*    A  38          2H5*        A  38   7.741 -29.261  -1.388
  402    H4*    A  38           H4*        A  38   7.974 -28.183   1.144
  403    H3*    A  38           H3*        A  38   5.718 -29.492  -0.344
  404    H2*    A  38           H2*        A  38   4.096 -28.683   1.108
  405   2HO*    A  38          2HO*        A  38   5.107 -27.767   3.258
  406    H1*    A  38           H1*        A  38   5.339 -26.317   1.952
  407    H8     A  38           H8         A  38   5.427 -26.161  -1.745
  408   1H6     A  38          1H6         A  38  -0.517 -24.485  -1.645
  409   2H6     A  38          2H6         A  38   0.924 -24.621  -2.630
  410    H2     A  38           H2         A  38   0.573 -25.958   2.460
  411   1H5*    G  39          1H5*        G  39   3.699 -33.044   2.951
  412   2H5*    G  39          2H5*        G  39   3.325 -32.575   1.280
  413    H4*    G  39           H4*        G  39   2.209 -31.499   3.861
  414    H3*    G  39           H3*        G  39   1.100 -32.739   1.373
  415    H2*    G  39           H2*        G  39  -0.662 -31.220   1.184
  416   2HO*    G  39          2HO*        G  39  -0.370 -29.985   3.653
  417    H1*    G  39           H1*        G  39   0.546 -28.935   2.109
  418    H8     G  39           H8         G  39   3.197 -30.349  -0.037
  419    H1     G  39           H1         G  39  -1.664 -28.056  -3.519
  420   1H2     G  39          1H2         G  39  -3.418 -27.678  -2.217
  421   2H2     G  39          2H2         G  39  -3.394 -27.984  -0.495
  422   1H5*    U  40          1H5*        U  40  -2.414 -32.726   3.747
  423   2H5*    U  40          2H5*        U  40  -2.953 -34.407   3.929
  424    H4*    U  40           H4*        U  40  -4.794 -33.042   3.128
  425    H3*    U  40           H3*        U  40  -3.659 -35.082   1.241
  426    H2*    U  40           H2*        U  40  -4.916 -34.314  -0.575
  427   2HO*    U  40          2HO*        U  40  -6.598 -33.213   1.419
  428    H1*    U  40           H1*        U  40  -4.890 -31.617  -0.067
  429    H3     U  40           H3         U  40  -2.286 -32.069  -3.763
  430    H5     U  40           H5         U  40   0.177 -33.320  -0.577
  431    H6     U  40           H6         U  40  -1.751 -33.165   0.888
  432   1H5*    C  41          1H5*        C  41  -7.465 -34.990   0.892
  433   2H5*    C  41          2H5*        C  41  -8.536 -36.397   1.054
  434    H4*    C  41           H4*        C  41  -9.097 -35.359  -1.014
  435    H3*    C  41           H3*        C  41  -7.415 -37.841  -1.365
  436    H2*    C  41           H2*        C  41  -7.306 -37.508  -3.678
  437   2HO*    C  41          2HO*        C  41  -9.071 -35.458  -4.016
  438    H1*    C  41           H1*        C  41  -7.282 -34.724  -3.698
  439   1H4     C  41          1H4         C  41  -1.224 -36.347  -4.728
  440   2H4     C  41          2H4         C  41  -1.044 -36.868  -3.069
  441    H5     C  41           H5         C  41  -2.859 -36.882  -1.486
  442    H6     C  41           H6         C  41  -5.242 -36.411  -1.153
  443   1H5*    C  42          1H5*        C  42 -10.170 -37.413  -3.969
  444   2H5*    C  42          2H5*        C  42 -11.460 -38.606  -4.219
  445    H4*    C  42           H4*        C  42 -10.725 -37.922  -6.382
  446    H3*    C  42           H3*        C  42  -9.664 -40.640  -5.596
  447    H2*    C  42           H2*        C  42  -8.478 -40.785  -7.616
  448   2HO*    C  42          2HO*        C  42  -9.030 -38.898  -9.199
  449    H1*    C  42           H1*        C  42  -7.781 -38.105  -7.853
  450   1H4     C  42          1H4         C  42  -2.536 -40.904  -5.581
  451   2H4     C  42          2H4         C  42  -3.274 -41.065  -4.003
  452    H5     C  42           H5         C  42  -5.547 -40.435  -3.536
  453    H6     C  42           H6         C  42  -7.616 -39.525  -4.482
  454   1H5*    U  43          1H5*        U  43 -10.402 -40.561  -9.413
  455   2H5*    U  43          2H5*        U  43 -11.384 -41.895 -10.048
  456    H4*    U  43           H4*        U  43  -9.300 -41.655 -11.314
  457    H3*    U  43           H3*        U  43  -9.702 -44.145  -9.689
  458    H2*    U  43           H2*        U  43  -7.498 -44.726  -9.790
  459   2HO*    U  43          2HO*        U  43  -7.196 -43.638 -12.383
  460    H1*    U  43           H1*        U  43  -6.574 -42.217 -11.032
  461    H3     U  43           H3         U  43  -2.823 -43.142  -8.756
  462    H5     U  43           H5         U  43  -5.770 -42.957  -5.742
  463    H6     U  43           H6         U  43  -7.437 -42.707  -7.489
  464    H3T    U  43           H3T        U  43  -9.683 -43.339 -12.394
  465   1H5*    G  44          1H5*        G  44  -8.307  44.799  -0.066
  466   2H5*    G  44          2H5*        G  44  -8.149  43.032  -0.025
  467    H4*    G  44           H4*        G  44  -8.222  44.003  -2.333
  468    H3*    G  44           H3*        G  44  -5.983  42.277  -1.365
  469    H2*    G  44           H2*        G  44  -4.564  42.747  -3.161
  470   2HO*    G  44          2HO*        G  44  -6.953  43.033  -4.485
  471    H1*    G  44           H1*        G  44  -5.129  45.379  -3.581
  472    H8     G  44           H8         G  44  -5.205  45.095   0.132
  473    H1     G  44           H1         G  44   0.768  44.827  -2.165
  474   1H2     G  44          1H2         G  44   0.722  44.578  -4.369
  475   2H2     G  44          2H2         G  44  -0.771  44.476  -5.274
  476    H5T    G  44           H5T        G  44  -6.759  44.149   1.450
  477   1H5*    G  45          1H5*        G  45  -5.630  41.530  -4.956
  478   2H5*    G  45          2H5*        G  45  -6.061  39.879  -5.439
  479    H4*    G  45           H4*        G  45  -3.889  40.369  -6.343
  480    H3*    G  45           H3*        G  45  -3.864  38.483  -3.989
  481    H2*    G  45           H2*        G  45  -1.542  38.473  -3.923
  482   2HO*    G  45          2HO*        G  45  -1.032  39.590  -6.401
  483    H1*    G  45           H1*        G  45  -1.073  41.027  -5.061
  484    H8     G  45           H8         G  45  -3.312  41.176  -2.013
  485    H1     G  45           H1         G  45   2.925  40.929  -0.580
  486   1H2     G  45          1H2         G  45   4.104  40.468  -2.405
  487   2H2     G  45          2H2         G  45   3.358  40.224  -3.968
  488   1H5*    G  46          1H5*        G  46  -1.545  37.492  -6.969
  489   2H5*    G  46          2H5*        G  46  -1.641  35.942  -7.828
  490    H4*    G  46           H4*        G  46   0.676  36.404  -7.484
  491    H3*    G  46           H3*        G  46  -0.421  34.302  -5.619
  492    H2*    G  46           H2*        G  46   1.588  34.186  -4.451
  493   2HO*    G  46          2HO*        G  46   3.495  34.339  -5.407
  494    H1*    G  46           H1*        G  46   2.474  36.833  -4.865
  495    H8     G  46           H8         G  46  -1.048  36.395  -3.410
  496    H1     G  46           H1         G  46   3.630  36.573   0.959
  497   1H2     G  46          1H2         G  46   5.612  36.530  -0.057
  498   2H2     G  46          2H2         G  46   5.773  36.458  -1.795
  499   1H5*    A  47          1H5*        A  47   3.338  33.245  -7.192
  500   2H5*    A  47          2H5*        A  47   3.354  31.625  -7.918
  501    H4*    A  47           H4*        A  47   5.311  31.912  -6.503
  502    H3*    A  47           H3*        A  47   3.217  29.977  -5.518
  503    H2*    A  47           H2*        A  47   4.362  29.638  -3.516
  504   2HO*    A  47          2HO*        A  47   6.617  30.120  -3.326
  505    H1*    A  47           H1*        A  47   5.556  32.164  -3.265
  506    H8     A  47           H8         A  47   1.765  31.997  -3.930
  507   1H6     A  47          1H6         A  47   1.134  32.209   2.210
  508   2H6     A  47          2H6         A  47   0.293  32.226   0.676
  509    H2     A  47           H2         A  47   5.518  31.861   1.284
  510   1H5*    U  48          1H5*        U  48   6.959  28.125  -4.758
  511   2H5*    U  48          2H5*        U  48   6.824  26.381  -5.064
  512    H4*    U  48           H4*        U  48   7.471  27.021  -2.705
  513    H3*    U  48           H3*        U  48   5.104  25.276  -3.326
  514    H2*    U  48           H2*        U  48   4.336  25.315  -1.137
  515   2HO*    U  48          2HO*        U  48   6.134  26.160   0.475
  516    H1*    U  48           H1*        U  48   5.406  27.794  -0.310
  517    H3     U  48           H3         U  48   1.032  28.469   0.547
  518    H5     U  48           H5         U  48   1.191  28.185  -3.655
  519    H6     U  48           H6         U  48   3.538  27.602  -3.462
  520   1H5*    A  49          1H5*        A  49   8.815  22.324  -1.030
  521   2H5*    A  49          2H5*        A  49   7.781  20.909  -0.749
  522    H4*    A  49           H4*        A  49   8.892  22.877   1.171
  523    H3*    A  49           H3*        A  49   9.053  20.132   0.946
  524    H2*    A  49           H2*        A  49   6.884  19.537   1.574
  525   2HO*    A  49          2HO*        A  49   8.345  18.960   3.363
  526    H1*    A  49           H1*        A  49   6.522  21.777   3.514
  527    H8     A  49           H8         A  49   5.029  21.074  -0.006
  528   1H6     A  49          1H6         A  49  -0.340  20.441   2.983
  529   2H6     A  49          2H6         A  49   0.435  20.471   1.416
  530    H2     A  49           H2         A  49   2.881  21.097   6.045
  531   1H5*    U  50          1H5*        U  50  11.031  19.169   6.257
  532   2H5*    U  50          2H5*        U  50  10.196  17.920   5.312
  533    H4*    U  50           H4*        U  50   9.509  18.139   7.754
  534    H3*    U  50           H3*        U  50   7.918  17.456   5.585
  535    H2*    U  50           H2*        U  50   6.812  19.509   5.300
  536   2HO*    U  50          2HO*        U  50   4.900  19.524   6.691
  537    H1*    U  50           H1*        U  50   6.789  20.085   8.249
  538    H3     U  50           H3         U  50   8.503  24.509   6.921
  539    H5     U  50           H5         U  50   4.901  23.415   5.023
  540    H6     U  50           H6         U  50   5.249  21.147   5.812
  541   1H5*    G  51          1H5*        G  51   4.206  18.093   7.906
  542   2H5*    G  51          2H5*        G  51   4.248  16.505   8.698
  543    H4*    G  51           H4*        G  51   1.990  16.745   8.199
  544    H3*    G  51           H3*        G  51   3.385  15.133   6.107
  545    H2*    G  51           H2*        G  51   1.649  15.253   4.559
  546   2HO*    G  51          2HO*        G  51  -0.111  14.608   5.624
  547    H1*    G  51           H1*        G  51   0.662  17.762   5.080
  548    H8     G  51           H8         G  51   4.354  18.220   5.137
  549    H1     G  51           H1         G  51   2.131  17.439  -0.812
  550   1H2     G  51          1H2         G  51   0.025  16.755  -0.755
  551   2H2     G  51          2H2         G  51  -0.835  16.487   0.743
  552   1H5*    G  52          1H5*        G  52   2.290  10.994   5.202
  553   2H5*    G  52          2H5*        G  52   3.298  11.879   4.039
  554    H4*    G  52           H4*        G  52   0.320  11.430   4.029
  555    H3*    G  52           H3*        G  52   2.601  10.854   2.176
  556    H2*    G  52           H2*        G  52   1.446  11.549   0.256
  557   2HO*    G  52          2HO*        G  52  -0.561  10.393   1.269
  558    H1*    G  52           H1*        G  52   0.148  13.714   1.235
  559    H8     G  52           H8         G  52   3.243  14.191   3.098
  560    H1     G  52           H1         G  52   4.269  14.993  -3.171
  561   1H2     G  52          1H2         G  52   2.546  14.208  -4.329
  562   2H2     G  52          2H2         G  52   1.148  13.486  -3.564
  563   1H5*    A  53          1H5*        A  53  -0.248   7.720   1.110
  564   2H5*    A  53          2H5*        A  53   0.472   6.098   1.030
  565    H4*    A  53           H4*        A  53  -0.374   6.826  -1.164
  566    H3*    A  53           H3*        A  53   2.589   6.396  -0.828
  567    H2*    A  53           H2*        A  53   3.037   7.167  -2.993
  568   2HO*    A  53          2HO*        A  53   0.274   7.013  -3.649
  569    H1*    A  53           H1*        A  53   1.100   9.133  -3.167
  570    H8     A  53           H8         A  53   2.552   9.661   0.205
  571   1H6     A  53          1H6         A  53   7.436  12.318  -2.493
  572   2H6     A  53          2H6         A  53   6.608  12.037  -0.979
  573    H2     A  53           H2         A  53   5.023  10.290  -5.693
  574   1H5*    A  54          1H5*        A  54   1.507   4.698  -4.276
  575   2H5*    A  54          2H5*        A  54   1.665   2.935  -4.408
  576    H4*    A  54           H4*        A  54   2.518   3.798  -6.439
  577    H3*    A  54           H3*        A  54   4.694   2.996  -4.518
  578    H2*    A  54           H2*        A  54   6.372   3.850  -5.921
  579   2HO*    A  54          2HO*        A  54   4.864   2.947  -7.830
  580    H1*    A  54           H1*        A  54   5.086   6.095  -6.824
  581    H8     A  54           H8         A  54   4.400   5.452  -3.117
  582   1H6     A  54          1H6         A  54   9.480   8.789  -2.004
  583   2H6     A  54          2H6         A  54   8.085   8.009  -1.290
  584    H2     A  54           H2         A  54   9.236   8.079  -6.436
  585   1H5*    G  55          1H5*        G  55   6.144   1.619  -8.127
  586   2H5*    G  55          2H5*        G  55   6.734  -0.050  -7.983
  587    H4*    G  55           H4*        G  55   8.500   1.440  -8.800
  588    H3*    G  55           H3*        G  55   8.894   0.313  -6.017
  589    H2*    G  55           H2*        G  55  10.931   1.474  -5.849
  590   2HO*    G  55          2HO*        G  55  11.314   2.469  -8.310
  591    H1*    G  55           H1*        G  55  10.200   3.715  -7.351
  592    H8     G  55           H8         G  55   7.691   2.698  -4.644
  593    H1     G  55           H1         G  55  12.517   6.324  -2.542
  594   1H2     G  55          1H2         G  55  14.028   6.577  -4.143
  595   2H2     G  55          2H2         G  55  13.850   5.849  -5.722
  596   1H5*    A  56          1H5*        A  56  12.396  -0.179  -8.450
  597   2H5*    A  56          2H5*        A  56  13.146  -1.768  -8.198
  598    H4*    A  56           H4*        A  56  14.782   0.063  -7.985
  599    H3*    A  56           H3*        A  56  14.171  -1.529  -5.485
  600    H2*    A  56           H2*        A  56  15.668  -0.200  -4.277
  601   2HO*    A  56          2HO*        A  56  17.318   1.003  -5.291
  602    H1*    A  56           H1*        A  56  15.304   2.187  -5.721
  603    H8     A  56           H8         A  56  12.164   0.404  -4.400
  604   1H6     A  56          1H6         A  56  12.849   3.878   0.660
  605   2H6     A  56          2H6         A  56  11.817   2.738  -0.173
  606    H2     A  56           H2         A  56  16.438   4.537  -1.963
  607   1H5*    A  57          1H5*        A  57  18.595  -1.587  -5.806
  608   2H5*    A  57          2H5*        A  57  19.046  -3.271  -5.478
  609    H4*    A  57           H4*        A  57  20.298  -1.763  -4.026
  610    H3*    A  57           H3*        A  57  18.206  -3.457  -2.642
  611    H2*    A  57           H2*        A  57  18.775  -2.479  -0.595
  612   2HO*    A  57          2HO*        A  57  21.229  -1.797  -1.861
  613    H1*    A  57           H1*        A  57  19.457   0.063  -1.572
  614    H8     A  57           H8         A  57  16.098  -1.525  -2.616
  615   1H6     A  57          1H6         A  57  13.686   1.528   2.177
  616   2H6     A  57          2H6         A  57  13.336   0.537   0.780
  617    H2     A  57           H2         A  57  18.149   2.073   2.294
  618   1H5*    C  58          1H5*        C  58  22.203  -4.096  -0.538
  619   2H5*    C  58          2H5*        C  58  22.200  -5.813  -0.091
  620    H4*    C  58           H4*        C  58  22.711  -4.348   1.832
  621    H3*    C  58           H3*        C  58  20.123  -5.919   1.948
  622    H2*    C  58           H2*        C  58  19.693  -5.006   4.069
  623   2HO*    C  58          2HO*        C  58  21.819  -3.658   4.799
  624    H1*    C  58           H1*        C  58  20.834  -2.487   3.611
  625   1H4     C  58          1H4         C  58  14.565  -1.495   3.293
  626   2H4     C  58          2H4         C  58  14.464  -2.372   1.783
  627    H5     C  58           H5         C  58  16.354  -3.460   0.761
  628    H6     C  58           H6         C  58  18.739  -3.981   0.987
  629   1H5*    C  59          1H5*        C  59  21.702  -6.592   5.612
  630   2H5*    C  59          2H5*        C  59  21.396  -8.253   6.157
  631    H4*    C  59           H4*        C  59  20.315  -6.553   7.605
  632    H3*    C  59           H3*        C  59  18.531  -8.459   6.071
  633    H2*    C  59           H2*        C  59  16.645  -7.412   6.958
  634   2HO*    C  59          2HO*        C  59  18.361  -6.498   9.039
  635    H1*    C  59           H1*        C  59  17.777  -4.835   7.290
  636   1H4     C  59          1H4         C  59  13.464  -4.182   2.665
  637   2H4     C  59          2H4         C  59  14.463  -5.101   1.557
  638    H5     C  59           H5         C  59  16.550  -6.131   2.199
  639    H6     C  59           H6         C  59  18.113  -6.525   4.049
  640   1H5*    G  60          1H5*        G  60  17.722  -8.112  10.180
  641   2H5*    G  60          2H5*        G  60  18.010  -9.641  11.035
  642    H4*    G  60           H4*        G  60  16.185  -8.842  12.197
  643    H3*    G  60           H3*        G  60  15.081 -10.486   9.912
  644    H2*    G  60           H2*        G  60  12.897  -9.868  10.496
  645   2HO*    G  60          2HO*        G  60  13.276  -8.549  12.833
  646    H1*    G  60           H1*        G  60  13.432  -7.276  11.354
  647    H8     G  60           H8         G  60  15.032  -8.387   8.042
  648    H1     G  60           H1         G  60   9.207  -5.804   7.435
  649   1H2     G  60          1H2         G  60   8.314  -5.465   9.440
  650   2H2     G  60          2H2         G  60   9.150  -5.873  10.922
  651   1H5*    G  61          1H5*        G  61  12.402 -10.658  13.007
  652   2H5*    G  61          2H5*        G  61  12.321 -12.344  13.555
  653    H4*    G  61           H4*        G  61  10.071 -11.573  13.362
  654    H3*    G  61           H3*        G  61  10.891 -13.358  11.068
  655    H2*    G  61           H2*        G  61   8.867 -12.992   9.988
  656   2HO*    G  61          2HO*        G  61   7.170 -11.924  11.625
  657    H1*    G  61           H1*        G  61   8.278 -10.438  11.083
  658    H8     G  61           H8         G  61  11.573 -10.969   9.169
  659    H1     G  61           H1         G  61   6.668  -9.051   5.544
  660   1H2     G  61          1H2         G  61   4.796  -9.040   6.735
  661   2H2     G  61          2H2         G  61   4.753  -9.508   8.420
  662   1H5*    G  62          1H5*        G  62   6.754 -14.183  12.588
  663   2H5*    G  62          2H5*        G  62   6.581 -15.949  12.609
  664    H4*    G  62           H4*        G  62   4.709 -14.745  11.455
  665    H3*    G  62           H3*        G  62   6.377 -16.732   9.900
  666    H2*    G  62           H2*        G  62   5.113 -16.296   7.977
  667   2HO*    G  62          2HO*        G  62   3.124 -15.033   9.576
  668    H1*    G  62           H1*        G  62   4.544 -13.592   8.512
  669    H8     G  62           H8         G  62   8.221 -14.678   8.746
  670    H1     G  62           H1         G  62   6.387 -12.757   2.920
  671   1H2     G  62          1H2         G  62   4.189 -12.456   2.875
  672   2H2     G  62          2H2         G  62   3.175 -12.725   4.276
  673   1H5*    G  63          1H5*        G  63   6.410 -20.395   8.701
  674   2H5*    G  63          2H5*        G  63   6.662 -18.653   8.910
  675    H4*    G  63           H4*        G  63   4.142 -19.383   7.550
  676    H3*    G  63           H3*        G  63   6.790 -20.233   6.401
  677    H2*    G  63           H2*        G  63   6.336 -19.235   4.327
  678   2HO*    G  63          2HO*        G  63   4.163 -20.159   4.254
  679    H1*    G  63           H1*        G  63   5.033 -16.980   5.193
  680    H8     G  63           H8         G  63   7.782 -17.256   7.654
  681    H1     G  63           H1         G  63  10.002 -15.614   1.882
  682   1H2     G  63          1H2         G  63   8.425 -15.870   0.361
  683   2H2     G  63          2H2         G  63   6.823 -16.450   0.752
  684   1H5*    A  64          1H5*        A  64   8.047 -23.719   5.399
  685   2H5*    A  64          2H5*        A  64   8.190 -22.055   4.798
  686    H4*    A  64           H4*        A  64   8.876 -24.279   3.375
  687    H3*    A  64           H3*        A  64   8.231 -21.476   2.626
  688    H2*    A  64           H2*        A  64   7.579 -21.923   0.435
  689   2HO*    A  64          2HO*        A  64   9.362 -23.036  -0.265
  690    H1*    A  64           H1*        A  64   6.422 -24.380   0.687
  691    H8     A  64           H8         A  64   5.547 -22.156   3.664
  692   1H6     A  64          1H6         A  64   0.763 -20.187   0.299
  693   2H6     A  64          2H6         A  64   1.517 -20.169   1.878
  694    H2     A  64           H2         A  64   3.373 -22.696  -2.361
  695   1H5*    A  65          1H5*        A  65  10.900 -19.164  -0.069
  696   2H5*    A  65          2H5*        A  65   9.483 -18.304   0.566
  697    H4*    A  65           H4*        A  65   9.816 -19.872  -1.926
  698    H3*    A  65           H3*        A  65   8.357 -17.418  -1.057
  699    H2*    A  65           H2*        A  65   6.411 -17.866  -2.253
  700   2HO*    A  65          2HO*        A  65   7.123 -18.228  -4.273
  701    H1*    A  65           H1*        A  65   6.292 -20.589  -2.093
  702    H8     A  65           H8         A  65   7.274 -19.961   1.356
  703   1H6     A  65          1H6         A  65   1.583 -17.868   2.517
  704   2H6     A  65          2H6         A  65   3.083 -18.423   3.225
  705    H2     A  65           H2         A  65   2.108 -18.040  -1.946
  706   1H5*    A  66          1H5*        A  66   8.422 -15.062  -5.794
  707   2H5*    A  66          2H5*        A  66   8.222 -13.898  -4.468
  708    H4*    A  66           H4*        A  66   6.314 -14.626  -6.394
  709    H3*    A  66           H3*        A  66   6.320 -12.938  -3.926
  710    H2*    A  66           H2*        A  66   4.011 -13.111  -3.562
  711   2HO*    A  66          2HO*        A  66   2.579 -13.366  -5.149
  712    H1*    A  66           H1*        A  66   3.588 -15.693  -4.262
  713    H8     A  66           H8         A  66   6.981 -15.336  -2.560
  714   1H6     A  66          1H6         A  66   3.976 -16.135   2.777
  715   2H6     A  66          2H6         A  66   5.552 -16.050   2.015
  716    H2     A  66           H2         A  66   0.911 -15.654  -0.494
  717   1H5*    C  67          1H5*        C  67   3.768 -11.020  -5.518
  718   2H5*    C  67          2H5*        C  67   3.774  -9.247  -5.433
  719    H4*    C  67           H4*        C  67   2.129 -10.262  -3.888
  720    H3*    C  67           H3*        C  67   4.438  -8.710  -2.703
  721    H2*    C  67           H2*        C  67   3.654  -9.166  -0.540
  722   2HO*    C  67          2HO*        C  67   1.481  -9.977  -0.219
  723    H1*    C  67           H1*        C  67   2.658 -11.725  -1.022
  724   1H4     C  67          1H4         C  67   8.205 -12.736   1.913
  725   2H4     C  67          2H4         C  67   9.090 -12.225   0.491
  726    H5     C  67           H5         C  67   8.020 -11.373  -1.494
  727    H6     C  67           H6         C  67   5.874 -10.840  -2.550
  728   1H5*    U  68          1H5*        U  68   1.360  -7.841  -0.831
  729   2H5*    U  68          2H5*        U  68   0.806  -6.168  -0.612
  730    H4*    U  68           H4*        U  68   0.875  -7.203   1.550
  731    H3*    U  68           H3*        U  68   3.158  -5.279   1.072
  732    H2*    U  68           H2*        U  68   4.022  -5.762   3.199
  733   2HO*    U  68          2HO*        U  68   1.346  -6.266   3.764
  734    H1*    U  68           H1*        U  68   3.216  -8.449   3.330
  735    H3     U  68           H3         U  68   7.713  -8.778   3.642
  736    H5     U  68           H5         U  68   7.048  -7.668  -0.369
  737    H6     U  68           H6         U  68   4.700  -7.381   0.168
  738   1H5*    U  69          1H5*        U  69   1.476  -4.404   4.481
  739   2H5*    U  69          2H5*        U  69   1.041  -2.740   4.924
  740    H4*    U  69           H4*        U  69   2.427  -3.496   6.678
  741    H3*    U  69           H3*        U  69   4.092  -1.886   4.722
  742    H2*    U  69           H2*        U  69   5.945  -2.235   6.115
  743   2HO*    U  69          2HO*        U  69   5.264  -3.311   8.323
  744    H1*    U  69           H1*        U  69   5.202  -4.795   7.025
  745    H3     U  69           H3         U  69   9.152  -5.722   5.068
  746    H5     U  69           H5         U  69   6.781  -4.353   1.867
  747    H6     U  69           H6         U  69   5.022  -3.862   3.461
  748   1H5*    G  70          1H5*        G  70   4.693  -1.001   8.430
  749   2H5*    G  70          2H5*        G  70   5.083   0.646   8.961
  750    H4*    G  70           H4*        G  70   6.849  -0.903   9.614
  751    H3*    G  70           H3*        G  70   7.620   1.047   7.424
  752    H2*    G  70           H2*        G  70   9.756   0.107   7.414
  753   2HO*    G  70          2HO*        G  70   9.228  -0.894  10.032
  754    H1*    G  70           H1*        G  70   8.968  -2.480   8.338
  755    H8     G  70           H8         G  70   7.503  -1.156   5.032
  756    H1     G  70           H1         G  70  12.999  -4.400   4.482
  757   1H2     G  70          1H2         G  70  13.815  -4.835   6.495
  758   2H2     G  70          2H2         G  70  13.013  -4.328   7.964
  759   1H5*    G  71          1H5*        G  71  10.206   1.447  11.393
  760   2H5*    G  71          2H5*        G  71  10.021   3.191  11.663
  761    H4*    G  71           H4*        G  71  12.241   2.929  12.206
  762    H3*    G  71           H3*        G  71  12.076   3.577   9.277
  763    H2*    G  71           H2*        G  71  14.343   3.090   8.908
  764   2HO*    G  71          2HO*        G  71  14.839   2.878  11.692
  765    H1*    G  71           H1*        G  71  14.598   0.892  10.496
  766    H8     G  71           H8         G  71  11.154   0.850   8.915
  767    H1     G  71           H1         G  71  15.756  -1.261   4.999
  768   1H2     G  71          1H2         G  71  17.749  -0.908   5.916
  769   2H2     G  71          2H2         G  71  17.944  -0.136   7.473
  770   1H5*    U  72          1H5*        U  72  15.284   6.199  10.565
  771   2H5*    U  72          2H5*        U  72  14.954   7.828   9.946
  772    H4*    U  72           H4*        U  72  17.177   7.039   9.255
  773    H3*    U  72           H3*        U  72  15.118   7.394   7.063
  774    H2*    U  72           H2*        U  72  16.711   6.718   5.472
  775   2HO*    U  72          2HO*        U  72  18.814   7.039   5.701
  776    H1*    U  72           H1*        U  72  17.967   4.781   7.009
  777    H3     U  72           H3         U  72  15.982   2.587   3.548
  778    H5     U  72           H5         U  72  12.821   3.476   6.198
  779    H6     U  72           H6         U  72  14.379   4.791   7.513
  780   1H5*    U  73          1H5*        U  73  18.668   9.419   5.905
  781   2H5*    U  73          2H5*        U  73  18.313  11.066   5.346
  782    H4*    U  73           H4*        U  73  19.740   9.923   3.735
  783    H3*    U  73           H3*        U  73  16.892  10.388   2.804
  784    H2*    U  73           H2*        U  73  17.480   9.441   0.714
  785   2HO*    U  73          2HO*        U  73  20.049  10.180   1.505
  786    H1*    U  73           H1*        U  73  19.044   7.398   1.710
  787    H3     U  73           H3         U  73  15.356   5.355   0.034
  788    H5     U  73           H5         U  73  14.072   7.001   3.700
  789    H6     U  73           H6         U  73  16.218   8.119   3.872
  790   1H5*    C  74          1H5*        C  74  19.463  11.542  -0.263
  791   2H5*    C  74          2H5*        C  74  18.863  12.994  -1.084
  792    H4*    C  74           H4*        C  74  19.212  11.119  -2.643
  793    H3*    C  74           H3*        C  74  16.341  12.012  -2.248
  794    H2*    C  74           H2*        C  74  15.725  10.454  -3.920
  795   2HO*    C  74          2HO*        C  74  18.351   9.808  -4.638
  796    H1*    C  74           H1*        C  74  17.561   8.478  -3.200
  797   1H4     C  74          1H4         C  74  12.084   6.460  -0.702
  798   2H4     C  74          2H4         C  74  12.127   7.722   0.508
  799    H5     C  74           H5         C  74  13.837   9.418   0.589
  800    H6     C  74           H6         C  74  15.861  10.285  -0.492
  801   1H5*    U  75          1H5*        U  75  17.423  12.788  -6.065
  802   2H5*    U  75          2H5*        U  75  16.636  14.009  -7.088
  803    H4*    U  75           H4*        U  75  16.058  11.668  -7.723
  804    H3*    U  75           H3*        U  75  13.829  13.477  -6.749
  805    H2*    U  75           H2*        U  75  12.308  11.730  -7.062
  806   2HO*    U  75          2HO*        U  75  13.888  11.240  -9.189
  807    H1*    U  75           H1*        U  75  14.134   9.602  -6.607
  808    H3     U  75           H3         U  75  10.618   8.899  -3.785
  809    H5     U  75           H5         U  75  12.931  11.903  -1.942
  810    H6     U  75           H6         U  75  14.241  12.052  -3.980
  811   1H5*    U  76          1H5*        U  76  12.703  12.547 -10.942
  812   2H5*    U  76          2H5*        U  76  11.987  14.005 -11.653
  813    H4*    U  76           H4*        U  76  10.492  12.013 -11.765
  814    H3*    U  76           H3*        U  76   9.621  14.464 -10.237
  815    H2*    U  76           H2*        U  76   7.692  13.403  -9.488
  816   2HO*    U  76          2HO*        U  76   6.580  11.992 -10.683
  817    H1*    U  76           H1*        U  76   8.639  10.743  -9.493
  818    H3     U  76           H3         U  76   7.205  11.383  -5.225
  819    H5     U  76           H5         U  76  10.794  13.574  -5.476
  820    H6     U  76           H6         U  76  10.825  13.134  -7.863
  821   1H5*    C  77          1H5*        C  77   5.486  16.570 -12.084
  822   2H5*    C  77          2H5*        C  77   6.399  16.279 -10.589
  823    H4*    C  77           H4*        C  77   4.151  14.483 -11.544
  824    H3*    C  77           H3*        C  77   4.022  17.009  -9.928
  825    H2*    C  77           H2*        C  77   2.818  16.033  -8.209
  826   2HO*    C  77          2HO*        C  77   1.654  14.742 -10.312
  827    H1*    C  77           H1*        C  77   3.634  13.348  -8.510
  828   1H4     C  77          1H4         C  77   6.175  15.547  -3.070
  829   2H4     C  77          2H4         C  77   7.619  15.971  -3.959
  830    H5     C  77           H5         C  77   7.784  15.818  -6.356
  831    H6     C  77           H6         C  77   6.599  15.235  -8.420
  832   1H5*    C  78          1H5*        C  78  -0.029  18.761  -9.212
  833   2H5*    C  78          2H5*        C  78   1.288  18.808  -8.023
  834    H4*    C  78           H4*        C  78  -1.193  17.064  -7.974
  835    H3*    C  78           H3*        C  78  -0.293  19.458  -6.418
  836    H2*    C  78           H2*        C  78  -0.773  18.516  -4.342
  837   2HO*    C  78          2HO*        C  78  -2.191  16.639  -4.204
  838    H1*    C  78           H1*        C  78  -0.220  15.861  -4.853
  839   1H4     C  78          1H4         C  78   4.868  18.325  -1.843
  840   2H4     C  78          2H4         C  78   5.624  18.557  -3.402
  841    H5     C  78           H5         C  78   4.491  18.185  -5.490
  842    H6     C  78           H6         C  78   2.381  17.510  -6.541
  843   1H5*    U  79          1H5*        U  79  -4.685  21.194  -5.789
  844   2H5*    U  79          2H5*        U  79  -3.909  22.705  -5.276
  845    H4*    U  79           H4*        U  79  -4.890  20.603  -3.647
  846    H3*    U  79           H3*        U  79  -3.476  23.207  -3.178
  847    H2*    U  79           H2*        U  79  -2.609  22.549  -1.142
  848   2HO*    U  79          2HO*        U  79  -4.694  20.633  -0.870
  849    H1*    U  79           H1*        U  79  -2.733  19.720  -1.470
  850    H3     U  79           H3         U  79   1.416  21.128   0.089
  851    H5     U  79           H5         U  79   1.578  21.175  -4.123
  852    H6     U  79           H6         U  79  -0.825  20.842  -4.154
  853   1H5*    A  80          1H5*        A  80  -6.100  25.810   0.276
  854   2H5*    A  80          2H5*        A  80  -4.625  26.389  -0.522
  855    H4*    A  80           H4*        A  80  -4.957  25.060   2.156
  856    H3*    A  80           H3*        A  80  -4.428  27.682   1.499
  857    H2*    A  80           H2*        A  80  -2.308  27.444   0.535
  858   2HO*    A  80          2HO*        A  80  -1.680  27.200   3.306
  859    H1*    A  80           H1*        A  80  -1.442  25.209   2.315
  860    H8     A  80           H8         A  80  -2.376  25.527  -1.459
  861   1H6     A  80          1H6         A  80   3.475  23.839  -2.486
  862   2H6     A  80          2H6         A  80   1.944  24.248  -3.227
  863    H2     A  80           H2         A  80   2.884  24.142   1.960
  864   1H5*    A  81          1H5*        A  81  -6.283  26.915   6.460
  865   2H5*    A  81          2H5*        A  81  -5.924  28.555   7.035
  866    H4*    A  81           H4*        A  81  -5.350  26.876   8.729
  867    H3*    A  81           H3*        A  81  -3.155  28.519   7.505
  868    H2*    A  81           H2*        A  81  -1.462  27.257   8.476
  869   2HO*    A  81          2HO*        A  81  -2.428  25.704  10.295
  870    H1*    A  81           H1*        A  81  -2.726  24.772   8.620
  871    H8     A  81           H8         A  81  -3.253  25.709   5.109
  872   1H6     A  81          1H6         A  81   2.655  24.309   3.971
  873   2H6     A  81          2H6         A  81   1.097  24.662   3.257
  874    H2     A  81           H2         A  81   2.113  24.499   8.430
  875   1H5*    G  82          1H5*        G  82  -1.319  30.710  11.113
  876   2H5*    G  82          2H5*        G  82  -0.716  31.756   9.811
  877    H4*    G  82           H4*        G  82   0.578  29.538  11.074
  878    H3*    G  82           H3*        G  82   1.307  31.567   8.978
  879    H2*    G  82           H2*        G  82   2.984  30.226   8.084
  880   2HO*    G  82          2HO*        G  82   3.021  29.011  10.648
  881    H1*    G  82           H1*        G  82   1.910  27.704   8.630
  882    H8     G  82           H8         G  82  -0.865  29.474   6.969
  883    H1     G  82           H1         G  82   3.776  27.962   2.825
  884   1H2     G  82          1H2         G  82   5.611  27.375   3.920
  885   2H2     G  82          2H2         G  82   5.693  27.348   5.668
  886   1H5*    U  83          1H5*        U  83   4.920  31.362  10.512
  887   2H5*    U  83          2H5*        U  83   5.498  32.870  11.249
  888    H4*    U  83           H4*        U  83   7.106  32.364   9.607
  889    H3*    U  83           H3*        U  83   5.149  34.438   8.641
  890    H2*    U  83           H2*        U  83   6.012  34.397   6.473
  891   2HO*    U  83          2HO*        U  83   8.342  33.199   7.598
  892    H1*    U  83           H1*        U  83   6.731  31.720   6.318
  893    H3     U  83           H3         U  83   3.504  32.016   3.175
  894    H5     U  83           H5         U  83   1.405  32.374   6.813
  895    H6     U  83           H6         U  83   3.541  32.422   7.964
  896   1H5*    C  84          1H5*        C  84   8.752  35.220   7.482
  897   2H5*    C  84          2H5*        C  84   9.563  36.772   7.779
  898    H4*    C  84           H4*        C  84   9.844  36.268   5.460
  899    H3*    C  84           H3*        C  84   7.756  38.388   5.977
  900    H2*    C  84           H2*        C  84   7.230  38.495   3.703
  901   2HO*    C  84          2HO*        C  84   8.946  37.147   2.330
  902    H1*    C  84           H1*        C  84   7.716  35.819   3.043
  903   1H4     C  84          1H4         C  84   1.382  36.270   3.170
  904   2H4     C  84          2H4         C  84   1.390  36.435   4.912
  905    H5     C  84           H5         C  84   3.413  36.554   6.217
  906    H6     C  84           H6         C  84   5.863  36.553   6.131
  907   1H5*    C  85          1H5*        C  85  10.258  38.945   3.017
  908   2H5*    C  85          2H5*        C  85  11.245  40.407   2.823
  909    H4*    C  85           H4*        C  85  10.400  39.857   0.661
  910    H3*    C  85           H3*        C  85   8.912  42.158   1.938
  911    H2*    C  85           H2*        C  85   7.495  42.293   0.076
  912   2HO*    C  85          2HO*        C  85   9.528  40.845  -1.284
  913    H1*    C  85           H1*        C  85   7.369  39.574  -0.514
  914   1H4     C  85          1H4         C  85   1.880  40.785   2.458
  915   2H4     C  85          2H4         C  85   2.709  40.976   3.986
  916    H5     C  85           H5         C  85   5.103  40.872   4.210
  917    H6     C  85           H6         C  85   7.224  40.573   3.018
  918   1H5*    U  86          1H5*        U  86   9.098  42.751  -1.931
  919   2H5*    U  86          2H5*        U  86   9.771  44.328  -2.387
  920    H4*    U  86           H4*        U  86   7.638  43.949  -3.512
  921    H3*    U  86           H3*        U  86   7.786  46.128  -1.462
  922    H2*    U  86           H2*        U  86   5.521  46.266  -1.238
  923   2HO*    U  86          2HO*        U  86   4.488  46.982  -2.918
  924    H1*    U  86           H1*        U  86   4.914  43.937  -2.954
  925    H3     U  86           H3         U  86   1.275  43.729  -0.335
  926    H5     U  86           H5         U  86   4.471  43.365   2.394
  927    H6     U  86           H6         U  86   5.993  43.802   0.554
  928    H3T    U  86           H3T        U  86   7.683  47.360  -3.291
  929   1HN1  NCO 101          1HN1      NCO 101 -14.859   8.589   4.162
  930   2HN1  NCO 101          2HN1      NCO 101 -15.546  10.023   4.554
  931   3HN1  NCO 101          3HN1      NCO 101 -15.261   8.908   5.718
  932   1HN2  NCO 101          1HN2      NCO 101 -14.356  11.993   6.190
  933   2HN2  NCO 101          2HN2      NCO 101 -14.676  11.936   4.585
  934   3HN2  NCO 101          3HN2      NCO 101 -13.262  12.567   5.116
  935   1HN3  NCO 101          1HN3      NCO 101 -11.933  10.444   3.017
  936   2HN3  NCO 101          2HN3      NCO 101 -13.437  11.086   2.913
  937   3HN3  NCO 101          3HN3      NCO 101 -13.223   9.469   2.759
  938   1HN4  NCO 101          1HN4      NCO 101 -12.042   7.995   5.965
  939   2HN4  NCO 101          2HN4      NCO 101 -11.530   8.326   4.445
  940   3HN4  NCO 101          3HN4      NCO 101 -13.004   7.653   4.684
  941   1HN5  NCO 101          1HN5      NCO 101 -13.708   8.912   7.280
  942   2HN5  NCO 101          2HN5      NCO 101 -12.498   9.976   7.568
  943   3HN5  NCO 101          3HN5      NCO 101 -14.042  10.506   7.437
  944   1HN6  NCO 101          1HN6      NCO 101 -10.721  10.571   4.754
  945   2HN6  NCO 101          2HN6      NCO 101 -11.432  11.886   5.419
  946   3HN6  NCO 101          3HN6      NCO 101 -11.013  10.619   6.366
  947   1HN1  NCO 102          1HN1      NCO 102 -11.884 -16.858  -3.045
  948   2HN1  NCO 102          2HN1      NCO 102 -12.170 -15.295  -3.446
  949   3HN1  NCO 102          3HN1      NCO 102 -12.453 -15.813  -1.920
  950   1HN2  NCO 102          1HN2      NCO 102 -10.004 -13.797  -0.349
  951   2HN2  NCO 102          2HN2      NCO 102 -10.995 -13.263  -1.538
  952   3HN2  NCO 102          3HN2      NCO 102 -11.504 -14.431  -0.511
  953   1HN3  NCO 102          1HN3      NCO 102  -9.024 -14.105  -4.072
  954   2HN3  NCO 102          2HN3      NCO 102 -10.603 -14.399  -4.394
  955   3HN3  NCO 102          3HN3      NCO 102 -10.189 -13.224  -3.330
  956   1HN4  NCO 102          1HN4      NCO 102  -9.044 -17.626  -2.909
  957   2HN4  NCO 102          2HN4      NCO 102 -10.038 -17.069  -4.085
  958   3HN4  NCO 102          3HN4      NCO 102  -8.526 -16.460  -3.933
  959   1HN5  NCO 102          1HN5      NCO 102  -9.147 -17.034  -0.512
  960   2HN5  NCO 102          2HN5      NCO 102 -10.584 -17.570  -1.083
  961   3HN5  NCO 102          3HN5      NCO 102 -10.541 -16.365   0.025
  962   1HN6  NCO 102          1HN6      NCO 102  -7.981 -15.268  -0.773
  963   2HN6  NCO 102          2HN6      NCO 102  -7.516 -15.365  -2.341
  964   3HN6  NCO 102          3HN6      NCO 102  -8.070 -13.947  -1.737
  965   1HN1  NCO 103          1HN1      NCO 103  11.459  -6.694   3.119
  966   2HN1  NCO 103          2HN1      NCO 103  10.871  -7.686   4.283
  967   3HN1  NCO 103          3HN1      NCO 103  10.047  -7.487   2.882
  968   1HN2  NCO 103          1HN2      NCO 103   9.548  -9.576   2.915
  969   2HN2  NCO 103          2HN2      NCO 103  10.457 -10.867   3.350
  970   3HN2  NCO 103          3HN2      NCO 103  10.126 -10.592   1.769
  971   1HN3  NCO 103          1HN3      NCO 103  11.682  -9.858   4.846
  972   2HN3  NCO 103          2HN3      NCO 103  12.991  -8.878   4.755
  973   3HN3  NCO 103          3HN3      NCO 103  13.093 -10.431   4.244
  974   1HN4  NCO 103          1HN4      NCO 103  13.407  -7.228   1.692
  975   2HN4  NCO 103          2HN4      NCO 103  13.750  -7.539   3.263
  976   3HN4  NCO 103          3HN4      NCO 103  14.335  -8.518   2.088
  977   1HN5  NCO 103          1HN5      NCO 103  11.987  -8.893   0.025
  978   2HN5  NCO 103          2HN5      NCO 103  11.462  -7.476   0.660
  979   3HN5  NCO 103          3HN5      NCO 103  10.444  -8.754   0.555
  980   1HN6  NCO 103          1HN6      NCO 103  12.438 -11.446   1.981
  981   2HN6  NCO 103          2HN6      NCO 103  13.849 -10.624   2.097
  982   3HN6  NCO 103          3HN6      NCO 103  12.945 -10.508   0.737
  983   1HN1  NCO 104          1HN1      NCO 104   9.614  13.882   2.140
  984   2HN1  NCO 104          2HN1      NCO 104  11.144  14.161   1.626
  985   3HN1  NCO 104          3HN1      NCO 104  10.093  13.348   0.669
  986   1HN2  NCO 104          1HN2      NCO 104  10.673  16.821   2.529
  987   2HN2  NCO 104          2HN2      NCO 104  11.833  16.189   1.562
  988   3HN2  NCO 104          3HN2      NCO 104  11.151  17.630   1.190
  989   1HN3  NCO 104          1HN3      NCO 104   7.409  16.226   1.627
  990   2HN3  NCO 104          2HN3      NCO 104   8.610  16.807   2.576
  991   3HN3  NCO 104          3HN3      NCO 104   8.286  15.202   2.557
  992   1HN4  NCO 104          1HN4      NCO 104   8.040  15.342  -1.343
  993   2HN4  NCO 104          2HN4      NCO 104   7.396  14.774   0.052
  994   3HN4  NCO 104          3HN4      NCO 104   8.562  13.921  -0.718
  995   1HN5  NCO 104          1HN5      NCO 104  10.789  14.588  -1.284
  996   2HN5  NCO 104          2HN5      NCO 104  10.712  16.181  -1.656
  997   3HN5  NCO 104          3HN5      NCO 104  11.819  15.645  -0.576
  998   1HN6  NCO 104          1HN6      NCO 104   9.463  17.627  -1.146
  999   2HN6  NCO 104          2HN6      NCO 104   8.040  17.519  -0.344
 1000   3HN6  NCO 104          3HN6      NCO 104   9.319  18.261   0.357
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   7.691 -46.437  -1.409
    2   2H5*    G   1          2H5*        G   1   7.779 -44.709  -1.808
    3    H4*    G   1           H4*        G   1   7.577 -46.159  -3.816
    4    H3*    G   1           H3*        G   1   5.553 -44.049  -3.191
    5    H2*    G   1           H2*        G   1   4.001 -44.785  -4.776
    6   2HO*    G   1          2HO*        G   1   6.234 -45.404  -6.142
    7    H1*    G   1           H1*        G   1   4.348 -47.487  -4.612
    8    H8     G   1           H8         G   1   4.496 -46.904  -1.056
    9    H1     G   1           H1         G   1  -1.311 -45.354  -3.260
   10   1H2     G   1          1H2         G   1  -1.263 -45.178  -5.471
   11   2H2     G   1          2H2         G   1   0.195 -45.442  -6.402
   12    H5T    G   1           H5T        G   1   6.259 -44.622  -0.357
   13   1H5*    G   2          1H5*        G   2   5.184 -43.953  -7.034
   14   2H5*    G   2          2H5*        G   2   5.438 -42.331  -7.709
   15    H4*    G   2           H4*        G   2   3.198 -43.246  -8.245
   16    H3*    G   2           H3*        G   2   3.401 -40.754  -6.559
   17    H2*    G   2           H2*        G   2   1.109 -40.722  -6.184
   18   2HO*    G   2          2HO*        G   2  -0.353 -41.799  -7.647
   19    H1*    G   2           H1*        G   2   0.592 -43.495  -6.448
   20    H8     G   2           H8         G   2   3.194 -42.990  -3.808
   21    H1     G   2           H1         G   2  -2.728 -41.747  -1.732
   22   1H2     G   2          1H2         G   2  -4.122 -41.597  -3.457
   23   2H2     G   2          2H2         G   2  -3.597 -41.823  -5.110
   24   1H5*    G   3          1H5*        G   3   0.677 -40.385  -9.345
   25   2H5*    G   3          2H5*        G   3   0.773 -39.136 -10.605
   26    H4*    G   3           H4*        G   3  -1.471 -39.089  -9.888
   27    H3*    G   3           H3*        G   3   0.161 -36.887  -8.646
   28    H2*    G   3           H2*        G   3  -1.573 -36.248  -7.227
   29   2HO*    G   3          2HO*        G   3  -3.695 -36.496  -7.720
   30    H1*    G   3           H1*        G   3  -2.777 -38.731  -6.832
   31    H8     G   3           H8         G   3   1.049 -38.542  -6.426
   32    H1     G   3           H1         G   3  -2.284 -37.412  -1.079
   33   1H2     G   3          1H2         G   3  -4.448 -37.297  -1.548
   34   2H2     G   3          2H2         G   3  -5.070 -37.495  -3.171
   35   1H5*    A   4          1H5*        A   4  -3.780 -35.944  -9.802
   36   2H5*    A   4          2H5*        A   4  -3.901 -34.532 -10.871
   37    H4*    A   4           H4*        A   4  -5.697 -34.432  -9.266
   38    H3*    A   4           H3*        A   4  -3.494 -32.419  -8.893
   39    H2*    A   4           H2*        A   4  -4.369 -31.660  -6.869
   40   2HO*    A   4          2HO*        A   4  -6.843 -32.919  -7.510
   41    H1*    A   4           H1*        A   4  -5.465 -34.030  -5.919
   42    H8     A   4           H8         A   4  -1.879 -34.077  -7.363
   43   1H6     A   4          1H6         A   4  -0.019 -33.353  -1.522
   44   2H6     A   4          2H6         A   4   0.491 -33.623  -3.173
   45    H2     A   4           H2         A   4  -4.510 -33.083  -1.585
   46   1H5*    U   5          1H5*        U   5  -6.883 -30.720  -7.800
   47   2H5*    U   5          2H5*        U   5  -7.197 -29.103  -8.464
   48    H4*    U   5           H4*        U   5  -7.301 -29.076  -6.019
   49    H3*    U   5           H3*        U   5  -5.100 -27.544  -7.374
   50    H2*    U   5           H2*        U   5  -4.004 -27.081  -5.379
   51   2HO*    U   5          2HO*        U   5  -5.512 -26.120  -4.167
   52    H1*    U   5           H1*        U   5  -4.765 -29.323  -3.881
   53    H3     U   5           H3         U   5  -0.315 -29.944  -3.833
   54    H5     U   5           H5         U   5  -1.294 -30.263  -7.921
   55    H6     U   5           H6         U   5  -3.576 -29.664  -7.355
   56   1H5*    A   6          1H5*        A   6  -7.242 -26.548  -4.187
   57   2H5*    A   6          2H5*        A   6  -8.898 -25.920  -4.311
   58    H4*    A   6           H4*        A   6  -8.057 -25.841  -1.996
   59    H3*    A   6           H3*        A   6  -9.289 -23.667  -3.307
   60    H2*    A   6           H2*        A   6  -7.436 -22.242  -3.380
   61   2HO*    A   6          2HO*        A   6  -8.959 -21.686  -1.458
   62    H1*    A   6           H1*        A   6  -6.295 -23.429  -0.858
   63    H8     A   6           H8         A   6  -5.330 -22.738  -4.579
   64   1H6     A   6          1H6         A   6  -0.069 -20.538  -2.188
   65   2H6     A   6          2H6         A   6  -0.961 -20.835  -3.662
   66    H2     A   6           H2         A   6  -2.651 -21.954   1.203
   67   1H5*    U   7          1H5*        U   7  -5.865 -23.311   1.275
   68   2H5*    U   7          2H5*        U   7  -7.243 -23.201   2.386
   69    H4*    U   7           H4*        U   7  -5.580 -21.317   2.524
   70    H3*    U   7           H3*        U   7  -8.433 -21.133   2.576
   71    H2*    U   7           H2*        U   7  -8.699 -19.779   0.719
   72   2HO*    U   7          2HO*        U   7  -8.056 -17.503   1.279
   73    H1*    U   7           H1*        U   7  -5.940 -18.623   0.995
   74    H3     U   7           H3         U   7  -7.986 -16.640  -2.740
   75    H5     U   7           H5         U   7  -6.300 -20.311  -3.940
   76    H6     U   7           H6         U   7  -5.976 -20.852  -1.598
   77   1H5*    G   8          1H5*        G   8  -4.101 -20.053   1.053
   78   2H5*    G   8          2H5*        G   8  -3.578 -20.343   2.722
   79    H4*    G   8           H4*        G   8  -2.095 -18.638   2.692
   80    H3*    G   8           H3*        G   8  -4.247 -17.077   1.307
   81    H2*    G   8           H2*        G   8  -2.738 -15.770   0.087
   82   2HO*    G   8          2HO*        G   8  -1.218 -14.989   1.330
   83    H1*    G   8           H1*        G   8  -0.791 -17.628  -0.428
   84    H8     G   8           H8         G   8  -4.499 -18.708  -0.631
   85    H1     G   8           H1         G   8  -1.955 -16.820  -6.178
   86   1H2     G   8          1H2         G   8   0.106 -16.098  -5.876
   87   2H2     G   8          2H2         G   8   0.872 -16.076  -4.305
   88   1H5*    G   9          1H5*        G   9  -3.410 -12.457   2.003
   89   2H5*    G   9          2H5*        G   9  -4.521 -12.813   0.664
   90    H4*    G   9           H4*        G   9  -1.534 -12.581   0.672
   91    H3*    G   9           H3*        G   9  -3.807 -11.494  -0.940
   92    H2*    G   9           H2*        G   9  -2.733 -11.771  -2.998
   93   2HO*    G   9          2HO*        G   9  -0.681 -11.358  -3.192
   94    H1*    G   9           H1*        G   9  -1.399 -14.108  -2.560
   95    H8     G   9           H8         G   9  -4.566 -14.920  -0.899
   96    H1     G   9           H1         G   9  -5.334 -14.542  -7.244
   97   1H2     G   9          1H2         G   9  -3.566 -13.555  -8.159
   98   2H2     G   9          2H2         G   9  -2.199 -13.007  -7.218
   99   1H5*    A  10          1H5*        A  10  -0.791  -8.405  -1.535
  100   2H5*    A  10          2H5*        A  10  -1.453  -6.774  -1.304
  101    H4*    A  10           H4*        A  10  -0.608  -7.139  -3.603
  102    H3*    A  10           H3*        A  10  -3.544  -6.585  -3.191
  103    H2*    A  10           H2*        A  10  -3.982  -6.861  -5.472
  104   2HO*    A  10          2HO*        A  10  -2.510  -5.551  -6.417
  105    H1*    A  10           H1*        A  10  -2.100  -8.836  -6.028
  106    H8     A  10           H8         A  10  -3.881  -9.898  -2.913
  107   1H6     A  10          1H6         A  10  -8.479 -11.913  -6.509
  108   2H6     A  10          2H6         A  10  -7.820 -11.901  -4.890
  109    H2     A  10           H2         A  10  -5.691  -9.483  -9.065
  110   1H5*    A  11          1H5*        A  11  -2.019  -3.654  -6.136
  111   2H5*    A  11          2H5*        A  11  -2.786  -2.075  -5.865
  112    H4*    A  11           H4*        A  11  -3.009  -2.963  -8.207
  113    H3*    A  11           H3*        A  11  -5.471  -2.351  -6.562
  114    H2*    A  11           H2*        A  11  -6.846  -3.057  -8.331
  115   2HO*    A  11          2HO*        A  11  -6.031  -3.308 -10.463
  116    H1*    A  11           H1*        A  11  -5.266  -5.148  -9.240
  117    H8     A  11           H8         A  11  -5.459  -5.237  -5.457
  118   1H6     A  11          1H6         A  11 -10.819  -8.248  -6.147
  119   2H6     A  11          2H6         A  11  -9.599  -7.731  -5.002
  120    H2     A  11           H2         A  11  -9.539  -6.749 -10.182
  121   1H5*    G  12          1H5*        G  12  -6.070   0.623  -9.895
  122   2H5*    G  12          2H5*        G  12  -6.688   2.078  -9.089
  123    H4*    G  12           H4*        G  12  -8.238   1.158 -10.813
  124    H3*    G  12           H3*        G  12  -9.140   1.310  -7.933
  125    H2*    G  12           H2*        G  12 -11.201   0.334  -8.500
  126   2HO*    G  12          2HO*        G  12 -11.237   0.137 -11.131
  127    H1*    G  12           H1*        G  12 -10.288  -1.414 -10.446
  128    H8     G  12           H8         G  12  -8.026  -1.473  -7.397
  129    H1     G  12           H1         G  12 -13.331  -4.987  -6.721
  130   1H2     G  12          1H2         G  12 -14.720  -4.593  -8.408
  131   2H2     G  12          2H2         G  12 -14.342  -3.467  -9.690
  132   1H5*    A  13          1H5*        A  13 -12.162   2.302  -9.726
  133   2H5*    A  13          2H5*        A  13 -12.636   4.012  -9.708
  134    H4*    A  13           H4*        A  13 -14.673   3.072  -9.265
  135    H3*    A  13           H3*        A  13 -13.333   3.361  -6.574
  136    H2*    A  13           H2*        A  13 -15.067   2.182  -5.535
  137   2HO*    A  13          2HO*        A  13 -16.547   3.395  -7.444
  138    H1*    A  13           H1*        A  13 -15.665   0.414  -7.601
  139    H8     A  13           H8         A  13 -11.976   0.953  -6.553
  140   1H6     A  13          1H6         A  13 -12.783  -4.057  -3.027
  141   2H6     A  13          2H6         A  13 -11.626  -2.882  -3.611
  142    H2     A  13           H2         A  13 -16.752  -2.989  -4.846
  143   1H5*    A  14          1H5*        A  14 -17.798   4.692  -6.676
  144   2H5*    A  14          2H5*        A  14 -17.852   6.104  -5.601
  145    H4*    A  14           H4*        A  14 -19.659   4.427  -5.169
  146    H3*    A  14           H3*        A  14 -17.685   5.139  -3.001
  147    H2*    A  14           H2*        A  14 -18.633   3.568  -1.542
  148   2HO*    A  14          2HO*        A  14 -20.783   4.079  -1.708
  149    H1*    A  14           H1*        A  14 -19.244   1.599  -3.384
  150    H8     A  14           H8         A  14 -15.800   3.269  -3.784
  151   1H6     A  14          1H6         A  14 -13.680  -1.214  -0.110
  152   2H6     A  14          2H6         A  14 -13.245   0.142  -1.123
  153    H2     A  14           H2         A  14 -18.165  -1.550  -0.253
  154   1H5*    C  15          1H5*        C  15 -21.730   5.452  -1.081
  155   2H5*    C  15          2H5*        C  15 -21.657   6.946  -0.124
  156    H4*    C  15           H4*        C  15 -22.387   5.038   1.243
  157    H3*    C  15           H3*        C  15 -19.699   6.255   1.907
  158    H2*    C  15           H2*        C  15 -19.397   4.679   3.620
  159   2HO*    C  15          2HO*        C  15 -21.811   3.437   3.680
  160    H1*    C  15           H1*        C  15 -20.658   2.519   2.389
  161   1H4     C  15          1H4         C  15 -14.470   1.319   1.582
  162   2H4     C  15          2H4         C  15 -14.327   2.631   0.436
  163    H5     C  15           H5         C  15 -16.146   4.110  -0.110
  164    H6     C  15           H6         C  15 -18.489   4.670   0.343
  165   1H5*    C  16          1H5*        C  16 -21.594   5.945   5.520
  166   2H5*    C  16          2H5*        C  16 -21.183   7.259   6.643
  167    H4*    C  16           H4*        C  16 -20.437   5.051   7.470
  168    H3*    C  16           H3*        C  16 -18.319   7.104   6.798
  169    H2*    C  16           H2*        C  16 -16.640   5.583   7.374
  170   2HO*    C  16          2HO*        C  16 -18.661   4.461   8.981
  171    H1*    C  16           H1*        C  16 -17.964   3.235   6.592
  172   1H4     C  16          1H4         C  16 -13.569   4.131   2.097
  173   2H4     C  16          2H4         C  16 -14.388   5.567   1.519
  174    H5     C  16           H5         C  16 -16.374   6.464   2.555
  175    H6     C  16           H6         C  16 -17.979   6.195   4.390
  176   1H5*    G  17          1H5*        G  17 -18.109   5.945  11.435
  177   2H5*    G  17          2H5*        G  17 -17.850   7.547  12.153
  178    H4*    G  17           H4*        G  17 -16.365   5.960  13.212
  179    H3*    G  17           H3*        G  17 -15.040   7.959  11.382
  180    H2*    G  17           H2*        G  17 -12.947   6.948  11.684
  181   2HO*    G  17          2HO*        G  17 -12.972   5.165  13.467
  182    H1*    G  17           H1*        G  17 -13.765   4.309  11.830
  183    H8     G  17           H8         G  17 -15.508   6.298   9.079
  184    H1     G  17           H1         G  17  -9.860   3.855   7.324
  185   1H2     G  17          1H2         G  17  -8.818   2.999   9.095
  186   2H2     G  17          2H2         G  17  -9.511   3.037  10.700
  187   1H5*    G  18          1H5*        G  18 -12.323   7.115  14.325
  188   2H5*    G  18          2H5*        G  18 -12.052   8.603  15.256
  189    H4*    G  18           H4*        G  18  -9.913   7.607  14.744
  190    H3*    G  18           H3*        G  18 -10.547  10.127  13.212
  191    H2*    G  18           H2*        G  18  -8.631   9.914  11.918
  192   2HO*    G  18          2HO*        G  18  -7.228   8.053  13.354
  193    H1*    G  18           H1*        G  18  -8.319   7.095  12.088
  194    H8     G  18           H8         G  18 -11.637   8.406  10.699
  195    H1     G  18           H1         G  18  -7.050   7.704   6.296
  196   1H2     G  18          1H2         G  18  -5.119   7.212   7.277
  197   2H2     G  18          2H2         G  18  -4.959   7.066   9.013
  198   1H5*    G  19          1H5*        G  19  -6.313   9.821  14.500
  199   2H5*    G  19          2H5*        G  19  -5.918  11.378  15.255
  200    H4*    G  19           H4*        G  19  -4.189  10.634  13.642
  201    H3*    G  19           H3*        G  19  -5.709  13.179  13.063
  202    H2*    G  19           H2*        G  19  -4.624  13.421  11.015
  203   2HO*    G  19          2HO*        G  19  -2.567  12.085  12.357
  204    H1*    G  19           H1*        G  19  -4.142  10.685  10.482
  205    H8     G  19           H8         G  19  -7.743  11.822  11.232
  206    H1     G  19           H1         G  19  -6.145  11.913   5.033
  207   1H2     G  19          1H2         G  19  -3.977  11.497   4.800
  208   2H2     G  19          2H2         G  19  -2.927  11.197   6.167
  209   1H5*    G  20          1H5*        G  20  -4.310  17.256  13.548
  210   2H5*    G  20          2H5*        G  20  -5.840  16.957  12.697
  211    H4*    G  20           H4*        G  20  -3.033  16.893  11.686
  212    H3*    G  20           H3*        G  20  -5.690  17.908  10.730
  213    H2*    G  20           H2*        G  20  -5.273  17.344   8.492
  214   2HO*    G  20          2HO*        G  20  -2.781  17.983   9.130
  215    H1*    G  20           H1*        G  20  -4.009  14.960   8.838
  216    H8     G  20           H8         G  20  -6.461  14.510  11.484
  217    H1     G  20           H1         G  20  -9.399  14.783   5.804
  218   1H2     G  20          1H2         G  20  -8.009  15.546   4.267
  219   2H2     G  20          2H2         G  20  -6.361  15.999   4.634
  220   1H5*    A  21          1H5*        A  21  -6.053  22.536  10.898
  221   2H5*    A  21          2H5*        A  21  -7.239  21.232  10.695
  222    H4*    A  21           H4*        A  21  -7.845  22.932   9.146
  223    H3*    A  21           H3*        A  21  -6.589  20.507   7.946
  224    H2*    A  21           H2*        A  21  -6.188  21.472   5.853
  225   2HO*    A  21          2HO*        A  21  -7.488  22.920   4.982
  226    H1*    A  21           H1*        A  21  -5.497  23.996   6.565
  227    H8     A  21           H8         A  21  -4.069  21.784   9.245
  228   1H6     A  21          1H6         A  21   0.673  20.657   5.466
  229   2H6     A  21          2H6         A  21   0.053  20.475   7.092
  230    H2     A  21           H2         A  21  -2.483  22.822   3.107
  231   1H5*    A  22          1H5*        A  22  -9.911  18.625   4.164
  232   2H5*    A  22          2H5*        A  22  -8.413  18.366   5.081
  233    H4*    A  22           H4*        A  22  -9.002  20.751   3.293
  234    H3*    A  22           H3*        A  22  -7.572  18.170   2.765
  235    H2*    A  22           H2*        A  22  -5.670  19.204   1.901
  236   2HO*    A  22          2HO*        A  22  -6.570  20.495   0.357
  237    H1*    A  22           H1*        A  22  -5.643  21.531   3.402
  238    H8     A  22           H8         A  22  -6.095  19.309   6.178
  239   1H6     A  22          1H6         A  22  -0.335  17.218   5.485
  240   2H6     A  22          2H6         A  22  -1.709  17.320   6.560
  241    H2     A  22           H2         A  22  -1.478  19.375   1.712
  242   1H5*    A  23          1H5*        A  23  -8.227  16.596  -1.657
  243   2H5*    A  23          2H5*        A  23  -7.649  15.368  -0.515
  244    H4*    A  23           H4*        A  23  -6.177  16.879  -2.494
  245    H3*    A  23           H3*        A  23  -5.718  14.455  -0.814
  246    H2*    A  23           H2*        A  23  -3.419  14.783  -0.552
  247   2HO*    A  23          2HO*        A  23  -2.662  15.107  -2.553
  248    H1*    A  23           H1*        A  23  -3.291  17.476  -0.321
  249    H8     A  23           H8         A  23  -6.489  16.422   1.384
  250   1H6     A  23          1H6         A  23  -3.098  15.230   6.399
  251   2H6     A  23          2H6         A  23  -4.725  15.418   5.773
  252    H2     A  23           H2         A  23  -0.277  15.982   2.962
  253   1H5*    C  24          1H5*        C  24  -3.905  12.899  -3.722
  254   2H5*    C  24          2H5*        C  24  -4.279  11.208  -4.115
  255    H4*    C  24           H4*        C  24  -2.416  11.521  -2.448
  256    H3*    C  24           H3*        C  24  -4.877   9.916  -1.740
  257    H2*    C  24           H2*        C  24  -4.058   9.556   0.424
  258   2HO*    C  24          2HO*        C  24  -1.914   9.579   0.933
  259    H1*    C  24           H1*        C  24  -2.725  11.990   0.755
  260   1H4     C  24          1H4         C  24  -8.058  12.558   4.176
  261   2H4     C  24          2H4         C  24  -8.995  12.804   2.718
  262    H5     C  24           H5         C  24  -8.052  12.660   0.503
  263    H6     C  24           H6         C  24  -6.014  12.238  -0.790
  264   1H5*    U  25          1H5*        U  25  -2.012   8.123  -0.402
  265   2H5*    U  25          2H5*        U  25  -1.615   6.434  -0.774
  266    H4*    U  25           H4*        U  25  -1.663   6.654   1.611
  267    H3*    U  25           H3*        U  25  -4.091   5.248   0.489
  268    H2*    U  25           H2*        U  25  -5.048   5.126   2.612
  269   2HO*    U  25          2HO*        U  25  -3.157   5.727   4.351
  270    H1*    U  25           H1*        U  25  -3.795   7.414   3.738
  271    H3     U  25           H3         U  25  -8.193   8.193   4.485
  272    H5     U  25           H5         U  25  -7.749   8.670   0.320
  273    H6     U  25           H6         U  25  -5.469   7.878   0.538
  274   1H5*    U  26          1H5*        U  26  -2.515   3.694   3.661
  275   2H5*    U  26          2H5*        U  26  -1.828   2.056   3.688
  276    H4*    U  26           H4*        U  26  -2.913   2.134   5.733
  277    H3*    U  26           H3*        U  26  -4.854   1.009   3.711
  278    H2*    U  26           H2*        U  26  -6.553   0.981   5.311
  279   2HO*    U  26          2HO*        U  26  -4.521   1.184   7.299
  280    H1*    U  26           H1*        U  26  -5.779   3.232   6.774
  281    H3     U  26           H3         U  26  -9.763   4.710   5.306
  282    H5     U  26           H5         U  26  -7.607   4.065   1.745
  283    H6     U  26           H6         U  26  -5.797   3.155   3.081
  284   1H5*    G  27          1H5*        G  27  -5.249  -0.764   6.919
  285   2H5*    G  27          2H5*        G  27  -5.404  -2.523   7.085
  286    H4*    G  27           H4*        G  27  -7.370  -1.631   8.044
  287    H3*    G  27           H3*        G  27  -7.917  -2.568   5.215
  288    H2*    G  27           H2*        G  27 -10.115  -1.814   5.407
  289   2HO*    G  27          2HO*        G  27  -9.747  -2.598   8.026
  290    H1*    G  27           H1*        G  27  -9.621   0.227   7.329
  291    H8     G  27           H8         G  27  -7.929   0.170   3.839
  292    H1     G  27           H1         G  27 -13.260   3.686   4.288
  293   1H2     G  27          1H2         G  27 -14.178   3.409   6.292
  294   2H2     G  27          2H2         G  27 -13.473   2.367   7.508
  295   1H5*    G  28          1H5*        G  28 -10.582  -4.633   8.729
  296   2H5*    G  28          2H5*        G  28 -10.548  -6.301   8.124
  297    H4*    G  28           H4*        G  28 -12.751  -5.921   8.948
  298    H3*    G  28           H3*        G  28 -12.539  -5.924   5.951
  299    H2*    G  28           H2*        G  28 -14.755  -5.211   5.665
  300   2HO*    G  28          2HO*        G  28 -15.451  -5.479   8.370
  301    H1*    G  28           H1*        G  28 -14.945  -3.447   7.743
  302    H8     G  28           H8         G  28 -11.537  -3.380   5.980
  303    H1     G  28           H1         G  28 -15.960   0.382   3.282
  304   1H2     G  28          1H2         G  28 -17.929   0.058   4.262
  305   2H2     G  28          2H2         G  28 -18.157  -1.097   5.555
  306   1H5*    U  29          1H5*        U  29 -16.239  -8.062   6.446
  307   2H5*    U  29          2H5*        U  29 -16.049  -9.558   5.511
  308    H4*    U  29           H4*        U  29 -18.055  -8.316   4.822
  309    H3*    U  29           H3*        U  29 -15.816  -8.540   2.802
  310    H2*    U  29           H2*        U  29 -17.039  -7.259   1.276
  311   2HO*    U  29          2HO*        U  29 -19.225  -8.298   2.686
  312    H1*    U  29           H1*        U  29 -18.384  -5.626   3.121
  313    H3     U  29           H3         U  29 -16.049  -2.660   0.620
  314    H5     U  29           H5         U  29 -13.092  -4.650   2.873
  315    H6     U  29           H6         U  29 -14.816  -6.149   3.689
  316   1H5*    U  30          1H5*        U  30 -19.689  -9.447   1.217
  317   2H5*    U  30          2H5*        U  30 -19.676 -10.915   0.220
  318    H4*    U  30           H4*        U  30 -20.872  -9.118  -0.920
  319    H3*    U  30           H3*        U  30 -18.220  -9.918  -2.140
  320    H2*    U  30           H2*        U  30 -18.526  -8.311  -3.834
  321   2HO*    U  30          2HO*        U  30 -21.190  -8.768  -3.282
  322    H1*    U  30           H1*        U  30 -19.695  -6.346  -2.270
  323    H3     U  30           H3         U  30 -15.737  -4.482  -3.373
  324    H5     U  30           H5         U  30 -14.690  -7.520  -0.643
  325    H6     U  30           H6         U  30 -17.006  -8.249  -0.673
  326   1H5*    C  31          1H5*        C  31 -20.830  -9.763  -5.448
  327   2H5*    C  31          2H5*        C  31 -20.358 -11.023  -6.604
  328    H4*    C  31           H4*        C  31 -20.203  -8.667  -7.480
  329    H3*    C  31           H3*        C  31 -17.720 -10.405  -7.416
  330    H2*    C  31           H2*        C  31 -16.492  -8.643  -8.326
  331   2HO*    C  31          2HO*        C  31 -17.606  -6.877  -9.423
  332    H1*    C  31           H1*        C  31 -18.062  -6.527  -7.257
  333   1H4     C  31          1H4         C  31 -12.470  -6.087  -4.273
  334   2H4     C  31          2H4         C  31 -12.821  -7.526  -3.340
  335    H5     C  31           H5         C  31 -14.799  -8.863  -3.668
  336    H6     C  31           H6         C  31 -16.856  -9.122  -4.976
  337   1H5*    U  32          1H5*        U  32 -17.958  -9.353 -11.743
  338   2H5*    U  32          2H5*        U  32 -17.717 -10.903 -12.576
  339    H4*    U  32           H4*        U  32 -16.125  -9.275 -13.416
  340    H3*    U  32           H3*        U  32 -14.975 -11.493 -11.724
  341    H2*    U  32           H2*        U  32 -12.834 -10.557 -11.849
  342   2HO*    U  32          2HO*        U  32 -13.114  -8.565 -13.639
  343    H1*    U  32           H1*        U  32 -13.555  -7.868 -11.879
  344    H3     U  32           H3         U  32 -11.323  -8.090  -7.980
  345    H5     U  32           H5         U  32 -14.764 -10.406  -7.268
  346    H6     U  32           H6         U  32 -15.356 -10.121  -9.605
  347   1H5*    U  33          1H5*        U  33 -12.768 -10.538 -15.399
  348   2H5*    U  33          2H5*        U  33 -12.190 -12.020 -16.186
  349    H4*    U  33           H4*        U  33 -10.443 -10.239 -15.942
  350    H3*    U  33           H3*        U  33 -10.069 -12.969 -14.729
  351    H2*    U  33           H2*        U  33  -8.143 -12.326 -13.609
  352   2HO*    U  33          2HO*        U  33  -7.864 -10.516 -15.764
  353    H1*    U  33           H1*        U  33  -8.649  -9.538 -13.417
  354    H3     U  33           H3         U  33  -7.843 -10.538  -9.089
  355    H5     U  33           H5         U  33 -11.425 -12.589  -9.947
  356    H6     U  33           H6         U  33 -11.172 -11.932 -12.268
  357   1H5*    C  34          1H5*        C  34  -5.576 -14.727 -16.253
  358   2H5*    C  34          2H5*        C  34  -6.608 -14.731 -14.808
  359    H4*    C  34           H4*        C  34  -4.280 -12.837 -15.288
  360    H3*    C  34           H3*        C  34  -4.457 -15.452 -13.806
  361    H2*    C  34           H2*        C  34  -3.330 -14.600 -11.959
  362   2HO*    C  34          2HO*        C  34  -2.407 -12.384 -13.478
  363    H1*    C  34           H1*        C  34  -4.175 -11.941 -12.106
  364   1H4     C  34          1H4         C  34  -7.298 -14.725  -7.278
  365   2H4     C  34          2H4         C  34  -8.539 -15.245  -8.396
  366    H5     C  34           H5         C  34  -8.384 -14.933 -10.780
  367    H6     C  34           H6         C  34  -7.003 -14.063 -12.608
  368   1H5*    C  35          1H5*        C  35   0.359 -15.660 -14.696
  369   2H5*    C  35          2H5*        C  35  -1.140 -15.765 -13.755
  370    H4*    C  35           H4*        C  35   1.434 -14.534 -12.717
  371    H3*    C  35           H3*        C  35   0.467 -17.377 -12.628
  372    H2*    C  35           H2*        C  35   0.793 -17.569 -10.339
  373   2HO*    C  35          2HO*        C  35   2.237 -15.735  -9.382
  374    H1*    C  35           H1*        C  35   0.453 -14.885  -9.580
  375   1H4     C  35          1H4         C  35  -4.817 -17.750  -7.464
  376   2H4     C  35          2H4         C  35  -5.419 -17.901  -9.098
  377    H5     C  35           H5         C  35  -4.156 -17.256 -11.035
  378    H6     C  35           H6         C  35  -2.029 -16.342 -11.837
  379   1H5*    U  36          1H5*        U  36   3.721 -20.312 -11.006
  380   2H5*    U  36          2H5*        U  36   2.042 -20.812 -10.713
  381    H4*    U  36           H4*        U  36   3.646 -18.835  -9.054
  382    H3*    U  36           H3*        U  36   2.975 -21.739  -8.677
  383    H2*    U  36           H2*        U  36   2.234 -21.432  -6.503
  384   2HO*    U  36          2HO*        U  36   3.259 -20.170  -5.121
  385    H1*    U  36           H1*        U  36   1.474 -18.712  -6.641
  386    H3     U  36           H3         U  36  -1.965 -21.375  -5.024
  387    H5     U  36           H5         U  36  -2.341 -21.290  -9.222
  388    H6     U  36           H6         U  36  -0.159 -20.233  -9.333
  389   1H5*    A  37          1H5*        A  37   5.998 -24.350  -6.550
  390   2H5*    A  37          2H5*        A  37   4.478 -25.117  -7.051
  391    H4*    A  37           H4*        A  37   5.177 -23.838  -4.407
  392    H3*    A  37           H3*        A  37   5.158 -26.495  -5.112
  393    H2*    A  37           H2*        A  37   2.886 -26.780  -5.596
  394   2HO*    A  37          2HO*        A  37   2.028 -27.808  -3.929
  395    H1*    A  37           H1*        A  37   1.905 -24.871  -3.524
  396    H8     A  37           H8         A  37   2.082 -24.802  -7.418
  397   1H6     A  37          1H6         A  37  -4.088 -24.693  -7.155
  398   2H6     A  37          2H6         A  37  -2.691 -24.644  -8.208
  399    H2     A  37           H2         A  37  -2.532 -25.023  -2.951
  400   1H5*    A  38          1H5*        A  38   7.236 -26.733  -0.212
  401   2H5*    A  38          2H5*        A  38   6.609 -28.381   0.002
  402    H4*    A  38           H4*        A  38   6.736 -26.841   2.073
  403    H3*    A  38           H3*        A  38   4.439 -28.579   1.270
  404    H2*    A  38           H2*        A  38   2.925 -27.602   2.741
  405   2HO*    A  38          2HO*        A  38   3.507 -27.164   4.713
  406    H1*    A  38           H1*        A  38   3.859 -25.003   2.802
  407    H8     A  38           H8         A  38   3.873 -25.554  -0.804
  408   1H6     A  38          1H6         A  38  -2.292 -25.190  -0.815
  409   2H6     A  38          2H6         A  38  -0.848 -25.184  -1.804
  410    H2     A  38           H2         A  38  -0.943 -25.656   3.447
  411   1H5*    G  39          1H5*        G  39   4.287 -30.509   5.508
  412   2H5*    G  39          2H5*        G  39   3.324 -31.869   4.898
  413    H4*    G  39           H4*        G  39   2.323 -29.772   6.337
  414    H3*    G  39           H3*        G  39   1.087 -31.777   4.500
  415    H2*    G  39           H2*        G  39  -0.839 -30.528   4.090
  416   2HO*    G  39          2HO*        G  39  -1.489 -30.099   6.158
  417    H1*    G  39           H1*        G  39   0.170 -27.980   4.146
  418    H8     G  39           H8         G  39   2.772 -29.741   2.209
  419    H1     G  39           H1         G  39  -2.623 -29.078  -1.174
  420   1H2     G  39          1H2         G  39  -4.288 -28.470   0.161
  421   2H2     G  39          2H2         G  39  -4.073 -28.230   1.880
  422   1H5*    U  40          1H5*        U  40  -2.294 -31.484   7.411
  423   2H5*    U  40          2H5*        U  40  -2.531 -33.183   7.864
  424    H4*    U  40           H4*        U  40  -4.605 -32.120   7.018
  425    H3*    U  40           H3*        U  40  -3.412 -34.471   5.573
  426    H2*    U  40           H2*        U  40  -4.950 -34.311   3.806
  427   2HO*    U  40          2HO*        U  40  -6.669 -32.426   4.462
  428    H1*    U  40           H1*        U  40  -5.105 -31.589   3.593
  429    H3     U  40           H3         U  40  -2.802 -32.905  -0.105
  430    H5     U  40           H5         U  40   0.038 -33.002   3.009
  431    H6     U  40           H6         U  40  -1.763 -32.573   4.577
  432   1H5*    C  41          1H5*        C  41  -7.228 -34.800   5.542
  433   2H5*    C  41          2H5*        C  41  -8.066 -36.326   5.890
  434    H4*    C  41           H4*        C  41  -8.694 -35.560   3.680
  435    H3*    C  41           H3*        C  41  -6.887 -37.981   3.738
  436    H2*    C  41           H2*        C  41  -6.829 -38.027   1.394
  437   2HO*    C  41          2HO*        C  41  -8.862 -36.105   1.099
  438    H1*    C  41           H1*        C  41  -6.881 -35.290   0.941
  439   1H4     C  41          1H4         C  41  -0.782 -36.911   0.177
  440   2H4     C  41          2H4         C  41  -0.593 -37.154   1.900
  441    H5     C  41           H5         C  41  -2.410 -36.948   3.470
  442    H6     C  41           H6         C  41  -4.805 -36.494   3.724
  443   1H5*    C  42          1H5*        C  42  -9.578 -38.248   1.205
  444   2H5*    C  42          2H5*        C  42 -10.722 -39.590   0.999
  445    H4*    C  42           H4*        C  42  -9.766 -39.179  -1.145
  446    H3*    C  42           H3*        C  42  -8.580 -41.605   0.210
  447    H2*    C  42           H2*        C  42  -7.107 -41.924  -1.581
  448   2HO*    C  42          2HO*        C  42  -8.568 -40.077  -3.170
  449    H1*    C  42           H1*        C  42  -6.669 -39.250  -2.217
  450   1H4     C  42          1H4         C  42  -1.468 -40.981   0.994
  451   2H4     C  42          2H4         C  42  -2.369 -41.053   2.492
  452    H5     C  42           H5         C  42  -4.747 -40.675   2.622
  453    H6     C  42           H6         C  42  -6.778 -40.194   1.336
  454   1H5*    U  43          1H5*        U  43  -9.101 -42.052  -3.827
  455   2H5*    U  43          2H5*        U  43  -9.973 -43.531  -4.278
  456    H4*    U  43           H4*        U  43  -7.960 -43.230  -5.651
  457    H3*    U  43           H3*        U  43  -8.003 -45.561  -3.744
  458    H2*    U  43           H2*        U  43  -5.828 -46.160  -4.307
  459   2HO*    U  43          2HO*        U  43  -5.444 -44.507  -6.478
  460    H1*    U  43           H1*        U  43  -4.817 -43.605  -4.823
  461    H3     U  43           H3         U  43  -2.239 -44.867  -1.328
  462    H5     U  43           H5         U  43  -6.080 -44.456   0.351
  463    H6     U  43           H6         U  43  -6.949 -44.080  -1.881
  464    H3T    U  43           H3T        U  43  -8.915 -46.417  -5.428
  465   1H5*    G  44          1H5*        G  44  -8.268  44.885   3.779
  466   2H5*    G  44          2H5*        G  44  -8.905  43.244   3.545
  467    H4*    G  44           H4*        G  44  -8.239  43.916   1.395
  468    H3*    G  44           H3*        G  44  -6.245  42.113   2.710
  469    H2*    G  44           H2*        G  44  -4.568  42.500   1.127
  470   2HO*    G  44          2HO*        G  44  -5.012  43.332  -0.936
  471    H1*    G  44           H1*        G  44  -4.974  45.150   0.615
  472    H8     G  44           H8         G  44  -5.524  44.623   4.316
  473    H1     G  44           H1         G  44   0.671  44.895   2.718
  474   1H2     G  44          1H2         G  44   0.890  44.843   0.511
  475   2H2     G  44          2H2         G  44  -0.483  44.740  -0.567
  476    H5T    G  44           H5T        G  44  -7.480  43.452   5.349
  477   1H5*    G  45          1H5*        G  45  -5.545  41.553  -1.013
  478   2H5*    G  45          2H5*        G  45  -5.719  39.871  -1.553
  479    H4*    G  45           H4*        G  45  -3.524  40.769  -2.171
  480    H3*    G  45           H3*        G  45  -3.568  38.574  -0.095
  481    H2*    G  45           H2*        G  45  -1.266  38.736   0.187
  482   2HO*    G  45          2HO*        G  45  -1.050  40.044  -2.332
  483    H1*    G  45           H1*        G  45  -0.966  41.461  -0.574
  484    H8     G  45           H8         G  45  -3.364  40.967   2.317
  485    H1     G  45           H1         G  45   2.796  41.161   4.072
  486   1H2     G  45          1H2         G  45   4.094  41.052   2.278
  487   2H2     G  45          2H2         G  45   3.447  40.952   0.655
  488   1H5*    G  46          1H5*        G  46  -1.104  38.373  -3.303
  489   2H5*    G  46          2H5*        G  46  -0.907  36.930  -4.319
  490    H4*    G  46           H4*        G  46   1.265  37.916  -3.942
  491    H3*    G  46           H3*        G  46   0.748  35.317  -2.503
  492    H2*    G  46           H2*        G  46   2.811  35.432  -1.399
  493   2HO*    G  46          2HO*        G  46   3.526  37.192  -3.504
  494    H1*    G  46           H1*        G  46   2.952  38.173  -1.034
  495    H8     G  46           H8         G  46  -0.498  36.726  -0.243
  496    H1     G  46           H1         G  46   3.650  36.428   4.627
  497   1H2     G  46          1H2         G  46   5.682  37.000   3.923
  498   2H2     G  46          2H2         G  46   6.009  37.450   2.265
  499   1H5*    A  47          1H5*        A  47   4.321  35.129  -3.479
  500   2H5*    A  47          2H5*        A  47   4.831  33.928  -4.683
  501    H4*    A  47           H4*        A  47   6.404  33.688  -2.963
  502    H3*    A  47           H3*        A  47   4.227  31.622  -2.685
  503    H2*    A  47           H2*        A  47   5.052  30.908  -0.630
  504   2HO*    A  47          2HO*        A  47   7.437  31.477  -1.834
  505    H1*    A  47           H1*        A  47   6.233  33.321   0.228
  506    H8     A  47           H8         A  47   2.535  33.326  -0.858
  507   1H6     A  47          1H6         A  47   1.248  32.475   5.121
  508   2H6     A  47          2H6         A  47   0.577  32.780   3.536
  509    H2     A  47           H2         A  47   5.707  32.214   4.619
  510   1H5*    U  48          1H5*        U  48   7.876  29.566  -1.905
  511   2H5*    U  48          2H5*        U  48   7.781  27.912  -2.543
  512    H4*    U  48           H4*        U  48   8.145  28.087  -0.049
  513    H3*    U  48           H3*        U  48   5.835  26.560  -1.233
  514    H2*    U  48           H2*        U  48   4.871  26.199   0.847
  515   2HO*    U  48          2HO*        U  48   7.537  26.166   1.655
  516    H1*    U  48           H1*        U  48   5.918  28.446   2.219
  517    H3     U  48           H3         U  48   1.509  29.035   2.926
  518    H5     U  48           H5         U  48   1.925  29.557  -1.237
  519    H6     U  48           H6         U  48   4.251  28.900  -1.019
  520   1H5*    A  49          1H5*        A  49   8.854  21.611  -1.277
  521   2H5*    A  49          2H5*        A  49   7.228  22.316  -1.169
  522    H4*    A  49           H4*        A  49   9.043  22.762   1.151
  523    H3*    A  49           H3*        A  49   8.720  20.084   0.264
  524    H2*    A  49           H2*        A  49   6.550  19.721   0.985
  525   2HO*    A  49          2HO*        A  49   8.268  19.214   2.920
  526    H1*    A  49           H1*        A  49   6.664  21.810   3.127
  527    H8     A  49           H8         A  49   4.785  21.696  -0.261
  528   1H6     A  49          1H6         A  49  -0.337  21.324   3.177
  529   2H6     A  49          2H6         A  49   0.293  21.455   1.553
  530    H2     A  49           H2         A  49   3.200  21.212   5.944
  531   1H5*    U  50          1H5*        U  50  11.146  19.145   5.192
  532   2H5*    U  50          2H5*        U  50   9.672  19.059   4.207
  533    H4*    U  50           H4*        U  50   9.923  19.309   7.048
  534    H3*    U  50           H3*        U  50   7.962  18.350   5.306
  535    H2*    U  50           H2*        U  50   6.887  20.395   4.866
  536   2HO*    U  50          2HO*        U  50   5.893  19.247   7.203
  537    H1*    U  50           H1*        U  50   7.419  21.409   7.649
  538    H3     U  50           H3         U  50   8.831  25.576   5.520
  539    H5     U  50           H5         U  50   5.048  24.248   4.216
  540    H6     U  50           H6         U  50   5.512  22.106   5.261
  541   1H5*    G  51          1H5*        G  51   4.332  19.213   8.064
  542   2H5*    G  51          2H5*        G  51   4.472  17.608   8.809
  543    H4*    G  51           H4*        G  51   2.196  17.832   8.175
  544    H3*    G  51           H3*        G  51   3.802  16.081   6.344
  545    H2*    G  51           H2*        G  51   2.116  15.938   4.751
  546   2HO*    G  51          2HO*        G  51   0.161  15.548   5.392
  547    H1*    G  51           H1*        G  51   0.899  18.417   5.095
  548    H8     G  51           H8         G  51   4.678  18.689   4.826
  549    H1     G  51           H1         G  51   1.733  18.317  -0.842
  550   1H2     G  51          1H2         G  51  -0.411  17.836  -0.557
  551   2H2     G  51          2H2         G  51  -1.119  17.604   1.027
  552   1H5*    G  52          1H5*        G  52   2.202  11.876   5.654
  553   2H5*    G  52          2H5*        G  52   3.455  12.521   4.576
  554    H4*    G  52           H4*        G  52   0.475  12.445   4.220
  555    H3*    G  52           H3*        G  52   2.886  11.655   2.613
  556    H2*    G  52           H2*        G  52   1.952  12.387   0.600
  557   2HO*    G  52          2HO*        G  52  -0.535  13.015   0.990
  558    H1*    G  52           H1*        G  52   0.543  14.572   1.492
  559    H8     G  52           H8         G  52   3.667  15.153   3.276
  560    H1     G  52           H1         G  52   4.513  15.825  -3.036
  561   1H2     G  52          1H2         G  52   2.778  14.964  -4.123
  562   2H2     G  52          2H2         G  52   1.422  14.227  -3.302
  563   1H5*    A  53          1H5*        A  53  -0.203   9.858   0.231
  564   2H5*    A  53          2H5*        A  53   0.032   8.113   0.457
  565    H4*    A  53           H4*        A  53  -0.264   8.514  -1.891
  566    H3*    A  53           H3*        A  53   2.577   7.884  -1.094
  567    H2*    A  53           H2*        A  53   3.341   8.241  -3.279
  568   2HO*    A  53          2HO*        A  53   0.637   7.788  -4.004
  569    H1*    A  53           H1*        A  53   1.636  10.306  -3.995
  570    H8     A  53           H8         A  53   3.043  10.865  -0.513
  571   1H6     A  53          1H6         A  53   7.966  13.386  -3.272
  572   2H6     A  53          2H6         A  53   7.160  13.108  -1.744
  573    H2     A  53           H2         A  53   5.413  11.492  -6.449
  574   1H5*    A  54          1H5*        A  54   1.504   5.757  -4.695
  575   2H5*    A  54          2H5*        A  54   2.262   4.153  -4.735
  576    H4*    A  54           H4*        A  54   2.753   5.707  -6.703
  577    H3*    A  54           H3*        A  54   4.956   4.405  -5.087
  578    H2*    A  54           H2*        A  54   6.565   5.479  -6.416
  579   2HO*    A  54          2HO*        A  54   6.019   6.390  -8.461
  580    H1*    A  54           H1*        A  54   5.163   7.848  -6.872
  581    H8     A  54           H8         A  54   5.098   6.930  -3.194
  582   1H6     A  54          1H6         A  54  10.576   9.764  -2.746
  583   2H6     A  54          2H6         A  54   9.260   9.036  -1.853
  584    H2     A  54           H2         A  54   9.549   9.421  -7.102
  585   1H5*    G  55          1H5*        G  55   5.645   2.754  -9.247
  586   2H5*    G  55          2H5*        G  55   6.347   1.139  -9.023
  587    H4*    G  55           H4*        G  55   7.794   2.764 -10.297
  588    H3*    G  55           H3*        G  55   8.809   1.492  -7.744
  589    H2*    G  55           H2*        G  55  10.844   2.658  -7.988
  590   2HO*    G  55          2HO*        G  55  11.185   3.825 -10.089
  591    H1*    G  55           H1*        G  55   9.792   5.006  -9.023
  592    H8     G  55           H8         G  55   7.787   3.726  -6.046
  593    H1     G  55           H1         G  55  13.001   7.061  -4.431
  594   1H2     G  55          1H2         G  55  14.260   7.418  -6.225
  595   2H2     G  55          2H2         G  55  13.812   6.837  -7.813
  596   1H5*    A  56          1H5*        A  56  11.634   1.113 -10.084
  597   2H5*    A  56          2H5*        A  56  12.268  -0.477 -10.552
  598    H4*    A  56           H4*        A  56  14.189   0.640  -9.864
  599    H3*    A  56           H3*        A  56  13.103  -0.897  -7.497
  600    H2*    A  56           H2*        A  56  14.704   0.049  -6.104
  601   2HO*    A  56          2HO*        A  56  16.227   0.338  -8.483
  602    H1*    A  56           H1*        A  56  15.096   2.470  -7.539
  603    H8     A  56           H8         A  56  11.576   1.514  -6.289
  604   1H6     A  56          1H6         A  56  12.945   4.852  -1.282
  605   2H6     A  56          2H6         A  56  11.697   3.961  -2.121
  606    H2     A  56           H2         A  56  16.649   4.590  -3.824
  607   1H5*    A  57          1H5*        A  57  17.743  -1.410  -8.475
  608   2H5*    A  57          2H5*        A  57  17.966  -3.144  -8.171
  609    H4*    A  57           H4*        A  57  19.834  -1.850  -7.260
  610    H3*    A  57           H3*        A  57  18.024  -3.224  -5.267
  611    H2*    A  57           H2*        A  57  19.268  -2.331  -3.478
  612   2HO*    A  57          2HO*        A  57  21.354  -2.102  -3.623
  613    H1*    A  57           H1*        A  57  19.739   0.164  -4.527
  614    H8     A  57           H8         A  57  16.216  -1.216  -5.186
  615   1H6     A  57          1H6         A  57  14.618   1.496   0.128
  616   2H6     A  57          2H6         A  57  14.036   0.643  -1.283
  617    H2     A  57           H2         A  57  19.082   1.845  -0.320
  618   1H5*    C  58          1H5*        C  58  22.062  -4.098  -3.811
  619   2H5*    C  58          2H5*        C  58  22.091  -5.861  -3.623
  620    H4*    C  58           H4*        C  58  22.876  -4.846  -1.577
  621    H3*    C  58           H3*        C  58  20.101  -6.038  -1.369
  622    H2*    C  58           H2*        C  58  19.996  -5.370   0.883
  623   2HO*    C  58          2HO*        C  58  22.615  -4.511   1.155
  624    H1*    C  58           H1*        C  58  21.399  -2.976   0.625
  625   1H4     C  58          1H4         C  58  15.285  -1.243   0.860
  626   2H4     C  58          2H4         C  58  14.990  -1.925  -0.723
  627    H5     C  58           H5         C  58  16.674  -3.090  -1.992
  628    H6     C  58           H6         C  58  18.988  -3.897  -1.994
  629   1H5*    C  59          1H5*        C  59  21.875  -6.917   1.979
  630   2H5*    C  59          2H5*        C  59  21.563  -8.553   2.592
  631    H4*    C  59           H4*        C  59  20.773  -6.826   4.160
  632    H3*    C  59           H3*        C  59  18.673  -8.560   2.842
  633    H2*    C  59           H2*        C  59  16.990  -7.375   3.936
  634   2HO*    C  59          2HO*        C  59  17.869  -7.681   6.028
  635    H1*    C  59           H1*        C  59  18.360  -4.901   4.165
  636   1H4     C  59          1H4         C  59  13.624  -3.813   0.067
  637   2H4     C  59          2H4         C  59  14.393  -4.813  -1.147
  638    H5     C  59           H5         C  59  16.441  -6.030  -0.754
  639    H6     C  59           H6         C  59  18.167  -6.579   0.899
  640   1H5*    G  60          1H5*        G  60  18.636  -8.889   7.589
  641   2H5*    G  60          2H5*        G  60  18.312 -10.616   7.833
  642    H4*    G  60           H4*        G  60  16.966  -9.248   9.358
  643    H3*    G  60           H3*        G  60  15.471 -10.754   7.206
  644    H2*    G  60           H2*        G  60  13.446  -9.833   7.926
  645   2HO*    G  60          2HO*        G  60  14.799  -9.609  10.380
  646    H1*    G  60           H1*        G  60  14.415  -7.350   8.780
  647    H8     G  60           H8         G  60  15.606  -8.336   5.305
  648    H1     G  60           H1         G  60   9.834  -5.567   5.368
  649   1H2     G  60          1H2         G  60   9.112  -5.370   7.458
  650   2H2     G  60          2H2         G  60  10.047  -5.914   8.832
  651   1H5*    G  61          1H5*        G  61  13.277 -10.649  10.546
  652   2H5*    G  61          2H5*        G  61  13.076 -12.270  11.235
  653    H4*    G  61           H4*        G  61  10.948 -11.235  11.391
  654    H3*    G  61           H3*        G  61  11.091 -13.151   9.061
  655    H2*    G  61           H2*        G  61   8.964 -12.531   8.353
  656   2HO*    G  61          2HO*        G  61   8.286 -11.296  10.793
  657    H1*    G  61           H1*        G  61   8.941  -9.891   9.379
  658    H8     G  61           H8         G  61  11.790 -10.926   7.019
  659    H1     G  61           H1         G  61   6.652  -8.517   4.070
  660   1H2     G  61          1H2         G  61   5.006  -8.218   5.529
  661   2H2     G  61          2H2         G  61   5.172  -8.612   7.225
  662   1H5*    G  62          1H5*        G  62   7.154 -13.345  10.808
  663   2H5*    G  62          2H5*        G  62   6.867 -15.059  11.171
  664    H4*    G  62           H4*        G  62   4.975 -14.093   9.949
  665    H3*    G  62           H3*        G  62   6.614 -16.190   8.530
  666    H2*    G  62           H2*        G  62   5.421 -15.893   6.560
  667   2HO*    G  62          2HO*        G  62   3.309 -14.894   8.189
  668    H1*    G  62           H1*        G  62   4.603 -13.201   6.968
  669    H8     G  62           H8         G  62   8.345 -14.130   6.994
  670    H1     G  62           H1         G  62   6.070 -12.336   1.285
  671   1H2     G  62          1H2         G  62   3.867 -12.079   1.390
  672   2H2     G  62          2H2         G  62   2.960 -12.348   2.862
  673   1H5*    G  63          1H5*        G  63   5.755 -20.301   7.771
  674   2H5*    G  63          2H5*        G  63   6.976 -19.422   6.829
  675    H4*    G  63           H4*        G  63   3.982 -19.420   6.558
  676    H3*    G  63           H3*        G  63   6.324 -19.957   4.782
  677    H2*    G  63           H2*        G  63   5.484 -18.743   2.964
  678   2HO*    G  63          2HO*        G  63   3.433 -18.801   2.508
  679    H1*    G  63           H1*        G  63   4.365 -16.635   4.254
  680    H8     G  63           H8         G  63   7.293 -17.068   6.414
  681    H1     G  63           H1         G  63   9.076 -15.089   0.596
  682   1H2     G  63          1H2         G  63   7.394 -15.267  -0.817
  683   2H2     G  63          2H2         G  63   5.825 -15.878  -0.343
  684   1H5*    A  64          1H5*        A  64   7.631 -23.258   3.851
  685   2H5*    A  64          2H5*        A  64   7.599 -21.584   3.260
  686    H4*    A  64           H4*        A  64   8.410 -23.734   1.787
  687    H3*    A  64           H3*        A  64   7.494 -20.992   1.092
  688    H2*    A  64           H2*        A  64   6.792 -21.486  -1.075
  689   2HO*    A  64          2HO*        A  64   8.033 -22.667  -2.282
  690    H1*    A  64           H1*        A  64   5.849 -24.026  -0.789
  691    H8     A  64           H8         A  64   4.932 -21.906   2.249
  692   1H6     A  64          1H6         A  64  -0.146 -20.300  -0.868
  693   2H6     A  64          2H6         A  64   0.680 -20.233   0.672
  694    H2     A  64           H2         A  64   2.535 -22.567  -3.676
  695   1H5*    A  65          1H5*        A  65   9.603 -18.048  -1.584
  696   2H5*    A  65          2H5*        A  65   8.288 -18.724  -0.601
  697    H4*    A  65           H4*        A  65   8.783 -19.604  -3.454
  698    H3*    A  65           H3*        A  65   7.389 -17.128  -2.505
  699    H2*    A  65           H2*        A  65   5.415 -17.579  -3.662
  700   2HO*    A  65          2HO*        A  65   6.907 -18.163  -5.592
  701    H1*    A  65           H1*        A  65   5.371 -20.331  -3.536
  702    H8     A  65           H8         A  65   6.191 -19.652  -0.056
  703   1H6     A  65          1H6         A  65   0.384 -17.783   0.877
  704   2H6     A  65          2H6         A  65   1.876 -18.281   1.642
  705    H2     A  65           H2         A  65   1.091 -17.932  -3.563
  706   1H5*    A  66          1H5*        A  66   7.682 -13.838  -6.877
  707   2H5*    A  66          2H5*        A  66   7.170 -13.535  -5.204
  708    H4*    A  66           H4*        A  66   5.564 -14.021  -7.635
  709    H3*    A  66           H3*        A  66   5.301 -12.443  -5.111
  710    H2*    A  66           H2*        A  66   3.017 -12.867  -4.819
  711   2HO*    A  66          2HO*        A  66   2.899 -13.801  -7.511
  712    H1*    A  66           H1*        A  66   2.855 -15.438  -5.631
  713    H8     A  66           H8         A  66   6.193 -15.000  -3.888
  714   1H6     A  66          1H6         A  66   3.187 -16.038   1.408
  715   2H6     A  66          2H6         A  66   4.764 -15.885   0.662
  716    H2     A  66           H2         A  66   0.124 -15.513  -1.862
  717   1H5*    C  67          1H5*        C  67   2.967 -10.139  -6.906
  718   2H5*    C  67          2H5*        C  67   3.151  -8.399  -6.606
  719    H4*    C  67           H4*        C  67   1.405  -9.537  -5.191
  720    H3*    C  67           H3*        C  67   3.718  -8.063  -3.929
  721    H2*    C  67           H2*        C  67   2.995  -8.669  -1.785
  722   2HO*    C  67          2HO*        C  67   0.629  -9.844  -2.156
  723    H1*    C  67           H1*        C  67   2.004 -11.197  -2.386
  724   1H4     C  67          1H4         C  67   7.702 -12.210   0.267
  725   2H4     C  67          2H4         C  67   8.500 -11.762  -1.224
  726    H5     C  67           H5         C  67   7.319 -10.943  -3.158
  727    H6     C  67           H6         C  67   5.120 -10.381  -4.081
  728   1H5*    U  68          1H5*        U  68   1.032  -7.180  -1.743
  729   2H5*    U  68          2H5*        U  68   0.407  -5.522  -1.664
  730    H4*    U  68           H4*        U  68   0.738  -6.025   0.579
  731    H3*    U  68           H3*        U  68   3.236  -4.672  -0.453
  732    H2*    U  68           H2*        U  68   4.284  -4.977   1.629
  733   2HO*    U  68          2HO*        U  68   2.150  -5.924   3.081
  734    H1*    U  68           H1*        U  68   3.153  -7.442   2.270
  735    H3     U  68           H3         U  68   7.495  -8.576   1.890
  736    H5     U  68           H5         U  68   6.366  -7.647  -2.063
  737    H6     U  68           H6         U  68   4.212  -6.930  -1.210
  738   1H5*    U  69          1H5*        U  69   1.986  -3.427   3.006
  739   2H5*    U  69          2H5*        U  69   1.816  -1.724   3.478
  740    H4*    U  69           H4*        U  69   3.055  -2.794   5.213
  741    H3*    U  69           H3*        U  69   4.854  -1.195   3.376
  742    H2*    U  69           H2*        U  69   6.703  -1.856   4.641
  743   2HO*    U  69          2HO*        U  69   5.170  -2.890   6.759
  744    H1*    U  69           H1*        U  69   5.750  -4.390   5.401
  745    H3     U  69           H3         U  69   9.506  -5.531   3.191
  746    H5     U  69           H5         U  69   7.111  -3.775   0.203
  747    H6     U  69           H6         U  69   5.494  -3.213   1.920
  748   1H5*    G  70          1H5*        G  70   5.778  -0.729   6.965
  749   2H5*    G  70          2H5*        G  70   6.219   0.836   7.677
  750    H4*    G  70           H4*        G  70   8.046  -0.667   8.042
  751    H3*    G  70           H3*        G  70   8.620   1.293   5.802
  752    H2*    G  70           H2*        G  70  10.713   0.301   5.525
  753   2HO*    G  70          2HO*        G  70  10.721   0.337   8.137
  754    H1*    G  70           H1*        G  70   9.981  -2.284   6.483
  755    H8     G  70           H8         G  70   8.160  -0.794   3.426
  756    H1     G  70           H1         G  70  13.385  -4.246   2.088
  757   1H2     G  70          1H2         G  70  14.422  -4.796   3.974
  758   2H2     G  70          2H2         G  70  13.829  -4.311   5.546
  759   1H5*    G  71          1H5*        G  71  11.615   1.197   9.529
  760   2H5*    G  71          2H5*        G  71  11.664   2.939   9.864
  761    H4*    G  71           H4*        G  71  13.859   2.326  10.278
  762    H3*    G  71           H3*        G  71  13.631   3.255   7.427
  763    H2*    G  71           H2*        G  71  15.825   2.571   6.917
  764   2HO*    G  71          2HO*        G  71  17.096   1.740   8.903
  765    H1*    G  71           H1*        G  71  15.873   0.214   8.270
  766    H8     G  71           H8         G  71  12.398   0.752   6.850
  767    H1     G  71           H1         G  71  16.561  -1.471   2.530
  768   1H2     G  71          1H2         G  71  18.611  -1.475   3.383
  769   2H2     G  71          2H2         G  71  18.957  -0.908   5.001
  770   1H5*    U  72          1H5*        U  72  17.489   4.939   8.499
  771   2H5*    U  72          2H5*        U  72  17.231   6.687   8.327
  772    H4*    U  72           H4*        U  72  19.252   6.076   7.152
  773    H3*    U  72           H3*        U  72  16.907   6.806   5.401
  774    H2*    U  72           H2*        U  72  18.115   6.300   3.464
  775   2HO*    U  72          2HO*        U  72  20.301   6.403   3.331
  776    H1*    U  72           H1*        U  72  19.622   4.181   4.442
  777    H3     U  72           H3         U  72  17.039   2.258   1.255
  778    H5     U  72           H5         U  72  14.359   3.048   4.413
  779    H6     U  72           H6         U  72  16.148   4.236   5.545
  780   1H5*    U  73          1H5*        U  73  20.466   8.625   3.780
  781   2H5*    U  73          2H5*        U  73  20.118  10.339   3.478
  782    H4*    U  73           H4*        U  73  21.144   9.270   1.517
  783    H3*    U  73           H3*        U  73  18.251  10.123   1.198
  784    H2*    U  73           H2*        U  73  18.359   9.421  -1.053
  785   2HO*    U  73          2HO*        U  73  20.888   8.643  -1.382
  786    H1*    U  73           H1*        U  73  19.876   7.150  -0.619
  787    H3     U  73           H3         U  73  15.808   5.603  -1.897
  788    H5     U  73           H5         U  73  15.220   6.911   2.068
  789    H6     U  73           H6         U  73  17.471   7.816   2.032
  790   1H5*    C  74          1H5*        C  74  20.562  11.336  -2.085
  791   2H5*    C  74          2H5*        C  74  20.064  12.925  -2.699
  792    H4*    C  74           H4*        C  74  20.039  11.170  -4.450
  793    H3*    C  74           H3*        C  74  17.352  12.368  -3.703
  794    H2*    C  74           H2*        C  74  16.410  11.082  -5.456
  795   2HO*    C  74          2HO*        C  74  19.060  10.530  -6.349
  796    H1*    C  74           H1*        C  74  17.975   8.820  -5.041
  797   1H4     C  74          1H4         C  74  12.488   7.396  -2.168
  798   2H4     C  74          2H4         C  74  12.864   8.479  -0.847
  799    H5     C  74           H5         C  74  14.816   9.888  -0.806
  800    H6     C  74           H6         C  74  16.824  10.578  -2.033
  801   1H5*    U  75          1H5*        U  75  18.001  13.346  -7.532
  802   2H5*    U  75          2H5*        U  75  17.306  14.802  -8.275
  803    H4*    U  75           H4*        U  75  16.256  12.740  -9.127
  804    H3*    U  75           H3*        U  75  14.528  14.630  -7.518
  805    H2*    U  75           H2*        U  75  12.730  13.164  -7.698
  806   2HO*    U  75          2HO*        U  75  13.830  12.734 -10.162
  807    H1*    U  75           H1*        U  75  14.211  10.758  -7.955
  808    H3     U  75           H3         U  75  11.346   9.927  -4.535
  809    H5     U  75           H5         U  75  14.208  12.552  -2.899
  810    H6     U  75           H6         U  75  15.120  12.842  -5.129
  811   1H5*    U  76          1H5*        U  76  12.791  14.094 -11.307
  812   2H5*    U  76          2H5*        U  76  12.167  15.538 -12.129
  813    H4*    U  76           H4*        U  76  10.419  13.864 -12.011
  814    H3*    U  76           H3*        U  76  10.043  16.291 -10.262
  815    H2*    U  76           H2*        U  76   8.180  15.376  -9.234
  816   2HO*    U  76          2HO*        U  76   7.770  14.357 -11.765
  817    H1*    U  76           H1*        U  76   8.766  12.622  -9.642
  818    H3     U  76           H3         U  76   7.980  12.774  -5.198
  819    H5     U  76           H5         U  76  11.584  14.901  -5.663
  820    H6     U  76           H6         U  76  11.288  14.747  -8.069
  821   1H5*    C  77          1H5*        C  77   5.295  18.021 -11.951
  822   2H5*    C  77          2H5*        C  77   6.077  18.176 -10.364
  823    H4*    C  77           H4*        C  77   3.989  16.156 -11.231
  824    H3*    C  77           H3*        C  77   4.023  18.450  -9.282
  825    H2*    C  77           H2*        C  77   2.913  17.225  -7.646
  826   2HO*    C  77          2HO*        C  77   1.166  16.273  -8.306
  827    H1*    C  77           H1*        C  77   3.817  14.655  -8.293
  828   1H4     C  77          1H4         C  77   6.765  16.478  -2.920
  829   2H4     C  77          2H4         C  77   8.082  17.103  -3.887
  830    H5     C  77           H5         C  77   8.021  17.204  -6.293
  831    H6     C  77           H6         C  77   6.686  16.727  -8.294
  832   1H5*    C  78          1H5*        C  78  -0.524  16.644  -8.881
  833   2H5*    C  78          2H5*        C  78  -1.170  18.195  -9.453
  834    H4*    C  78           H4*        C  78  -2.246  17.448  -7.357
  835    H3*    C  78           H3*        C  78  -0.633  19.993  -7.335
  836    H2*    C  78           H2*        C  78  -0.863  20.224  -5.033
  837   2HO*    C  78          2HO*        C  78  -3.085  18.448  -5.056
  838    H1*    C  78           H1*        C  78  -1.158  17.495  -4.347
  839   1H4     C  78          1H4         C  78   4.599  19.028  -2.111
  840   2H4     C  78          2H4         C  78   5.217  19.195  -3.738
  841    H5     C  78           H5         C  78   3.846  18.985  -5.699
  842    H6     C  78           H6         C  78   1.584  18.562  -6.536
  843   1H5*    U  79          1H5*        U  79  -4.735  23.120  -5.483
  844   2H5*    U  79          2H5*        U  79  -3.029  23.309  -5.028
  845    H4*    U  79           H4*        U  79  -5.295  22.099  -3.448
  846    H3*    U  79           H3*        U  79  -3.408  24.391  -3.090
  847    H2*    U  79           H2*        U  79  -2.881  23.871  -0.889
  848   2HO*    U  79          2HO*        U  79  -5.489  22.927  -0.892
  849    H1*    U  79           H1*        U  79  -3.166  21.109  -0.922
  850    H3     U  79           H3         U  79   1.204  21.877   0.097
  851    H5     U  79           H5         U  79   0.955  22.427  -4.074
  852    H6     U  79           H6         U  79  -1.459  22.251  -3.887
  853   1H5*    A  80          1H5*        A  80  -5.896  26.856   0.570
  854   2H5*    A  80          2H5*        A  80  -4.345  27.652   0.231
  855    H4*    A  80           H4*        A  80  -5.014  25.541   2.253
  856    H3*    A  80           H3*        A  80  -4.370  28.218   2.514
  857    H2*    A  80           H2*        A  80  -2.124  28.164   1.875
  858   2HO*    A  80          2HO*        A  80  -2.391  28.155   4.409
  859    H1*    A  80           H1*        A  80  -1.590  25.429   2.944
  860    H8     A  80           H8         A  80  -1.912  26.897  -0.649
  861   1H6     A  80          1H6         A  80   4.042  25.359  -1.228
  862   2H6     A  80          2H6         A  80   2.638  26.010  -2.045
  863    H2     A  80           H2         A  80   2.776  24.425   2.983
  864   1H5*    A  81          1H5*        A  81  -5.354  29.104   6.729
  865   2H5*    A  81          2H5*        A  81  -4.129  28.113   5.911
  866    H4*    A  81           H4*        A  81  -5.800  27.279   8.306
  867    H3*    A  81           H3*        A  81  -3.042  28.408   8.069
  868    H2*    A  81           H2*        A  81  -2.022  26.717   9.303
  869   2HO*    A  81          2HO*        A  81  -4.172  25.397  10.331
  870    H1*    A  81           H1*        A  81  -3.587  24.557   8.625
  871    H8     A  81           H8         A  81  -3.111  26.023   5.307
  872   1H6     A  81          1H6         A  81   2.718  23.979   5.328
  873   2H6     A  81          2H6         A  81   1.431  24.644   4.349
  874    H2     A  81           H2         A  81   1.116  23.634   9.515
  875   1H5*    G  82          1H5*        G  82  -2.335  29.101  12.860
  876   2H5*    G  82          2H5*        G  82  -1.474  30.515  12.216
  877    H4*    G  82           H4*        G  82  -0.282  28.310  13.338
  878    H3*    G  82           H3*        G  82   0.692  30.501  11.551
  879    H2*    G  82           H2*        G  82   2.569  29.335  10.810
  880   2HO*    G  82          2HO*        G  82   2.249  27.554  13.013
  881    H1*    G  82           H1*        G  82   1.597  26.763  10.780
  882    H8     G  82           H8         G  82  -1.177  28.747   9.307
  883    H1     G  82           H1         G  82   3.715  28.074   5.231
  884   1H2     G  82          1H2         G  82   5.500  27.309   6.306
  885   2H2     G  82          2H2         G  82   5.488  26.965   8.021
  886   1H5*    U  83          1H5*        U  83   4.285  30.335  13.856
  887   2H5*    U  83          2H5*        U  83   4.573  31.994  14.418
  888    H4*    U  83           H4*        U  83   6.438  31.149  13.042
  889    H3*    U  83           H3*        U  83   4.834  33.496  12.052
  890    H2*    U  83           H2*        U  83   5.959  33.532  10.003
  891   2HO*    U  83          2HO*        U  83   7.957  31.711  10.666
  892    H1*    U  83           H1*        U  83   6.383  30.814   9.671
  893    H3     U  83           H3         U  83   3.583  32.022   6.290
  894    H5     U  83           H5         U  83   1.105  31.752   9.690
  895    H6     U  83           H6         U  83   3.100  31.459  11.040
  896   1H5*    C  84          1H5*        C  84   8.284  34.396  11.286
  897   2H5*    C  84          2H5*        C  84   9.166  35.794  11.933
  898    H4*    C  84           H4*        C  84   9.411  36.014   9.614
  899    H3*    C  84           H3*        C  84   7.121  37.726  10.580
  900    H2*    C  84           H2*        C  84   6.513  38.261   8.404
  901   2HO*    C  84          2HO*        C  84   8.930  37.447   7.236
  902    H1*    C  84           H1*        C  84   7.546  35.955   7.104
  903   1H4     C  84          1H4         C  84   1.256  35.407   6.429
  904   2H4     C  84          2H4         C  84   1.060  35.127   8.144
  905    H5     C  84           H5         C  84   2.883  35.222   9.715
  906    H6     C  84           H6         C  84   5.288  35.617   9.982
  907   1H5*    C  85          1H5*        C  85   9.905  39.080   7.931
  908   2H5*    C  85          2H5*        C  85  10.760  40.619   8.161
  909    H4*    C  85           H4*        C  85  10.323  40.450   5.831
  910    H3*    C  85           H3*        C  85   8.397  42.312   7.226
  911    H2*    C  85           H2*        C  85   7.248  42.683   5.210
  912   2HO*    C  85          2HO*        C  85   8.839  41.313   3.462
  913    H1*    C  85           H1*        C  85   7.405  40.123   4.193
  914   1H4     C  85          1H4         C  85   1.655  40.392   6.914
  915   2H4     C  85          2H4         C  85   2.373  40.294   8.504
  916    H5     C  85           H5         C  85   4.748  40.269   8.882
  917    H6     C  85           H6         C  85   6.953  40.345   7.819
  918   1H5*    U  86          1H5*        U  86   9.157  43.604   3.640
  919   2H5*    U  86          2H5*        U  86   9.594  45.317   3.488
  920    H4*    U  86           H4*        U  86   7.704  44.658   2.015
  921    H3*    U  86           H3*        U  86   7.334  46.751   4.128
  922    H2*    U  86           H2*        U  86   5.057  46.649   4.031
  923   2HO*    U  86          2HO*        U  86   4.402  47.478   2.224
  924    H1*    U  86           H1*        U  86   4.926  44.296   2.259
  925    H3     U  86           H3         U  86   1.077  43.734   4.536
  926    H5     U  86           H5         U  86   4.060  43.438   7.504
  927    H6     U  86           H6         U  86   5.691  44.088   5.827
  928    H3T    U  86           H3T        U  86   8.202  47.665   2.427
  929   1HN1  NCO 101          1HN1      NCO 101 -14.966  10.502   4.018
  930   2HN1  NCO 101          2HN1      NCO 101 -14.160  11.064   2.708
  931   3HN1  NCO 101          3HN1      NCO 101 -13.927   9.524   3.215
  932   1HN2  NCO 101          1HN2      NCO 101 -11.519  10.248   2.608
  933   2HN2  NCO 101          2HN2      NCO 101 -11.523   9.056   3.730
  934   3HN2  NCO 101          3HN2      NCO 101 -10.428  10.269   3.828
  935   1HN3  NCO 101          1HN3      NCO 101 -13.839   9.151   5.684
  936   2HN3  NCO 101          2HN3      NCO 101 -12.241   8.801   5.609
  937   3HN3  NCO 101          3HN3      NCO 101 -12.811   9.778   6.794
  938   1HN4  NCO 101          1HN4      NCO 101 -14.394  11.480   6.369
  939   2HN4  NCO 101          2HN4      NCO 101 -14.548  12.568   5.154
  940   3HN4  NCO 101          3HN4      NCO 101 -13.402  12.781   6.303
  941   1HN5  NCO 101          1HN5      NCO 101 -11.541  12.500   2.956
  942   2HN5  NCO 101          2HN5      NCO 101 -13.162  12.731   2.906
  943   3HN5  NCO 101          3HN5      NCO 101 -12.267  13.456   4.070
  944   1HN6  NCO 101          1HN6      NCO 101 -10.279  11.606   5.312
  945   2HN6  NCO 101          2HN6      NCO 101 -11.294  12.593   6.134
  946   3HN6  NCO 101          3HN6      NCO 101 -11.079  11.047   6.626
  947   1HN1  NCO 102          1HN1      NCO 102 -11.598 -14.226  -2.130
  948   2HN1  NCO 102          2HN1      NCO 102 -10.775 -15.601  -2.468
  949   3HN1  NCO 102          3HN1      NCO 102  -9.961 -14.238  -2.067
  950   1HN2  NCO 102          1HN2      NCO 102  -8.311 -13.971  -5.190
  951   2HN2  NCO 102          2HN2      NCO 102  -8.515 -13.007  -3.882
  952   3HN2  NCO 102          3HN2      NCO 102  -8.380 -14.628  -3.692
  953   1HN3  NCO 102          1HN3      NCO 102 -10.465 -12.039  -3.055
  954   2HN3  NCO 102          2HN3      NCO 102 -10.506 -11.610  -4.634
  955   3HN3  NCO 102          3HN3      NCO 102 -11.894 -11.995  -3.854
  956   1HN4  NCO 102          1HN4      NCO 102 -12.852 -15.193  -4.936
  957   2HN4  NCO 102          2HN4      NCO 102 -12.993 -13.587  -5.216
  958   3HN4  NCO 102          3HN4      NCO 102 -13.041 -14.158  -3.681
  959   1HN5  NCO 102          1HN5      NCO 102 -10.926 -16.548  -4.252
  960   2HN5  NCO 102          2HN5      NCO 102 -10.873 -16.141  -5.836
  961   3HN5  NCO 102          3HN5      NCO 102  -9.491 -16.202  -4.960
  962   1HN6  NCO 102          1HN6      NCO 102 -11.204 -14.118  -6.885
  963   2HN6  NCO 102          2HN6      NCO 102 -10.827 -12.590  -6.436
  964   3HN6  NCO 102          3HN6      NCO 102  -9.638 -13.690  -6.674
  965   1HN1  NCO 103          1HN1      NCO 103  12.378 -12.952   0.071
  966   2HN1  NCO 103          2HN1      NCO 103  10.806 -12.841   0.516
  967   3HN1  NCO 103          3HN1      NCO 103  11.977 -12.931   1.658
  968   1HN2  NCO 103          1HN2      NCO 103   9.796  -9.606   1.680
  969   2HN2  NCO 103          2HN2      NCO 103   9.559 -11.203   1.410
  970   3HN2  NCO 103          3HN2      NCO 103  10.378 -10.709   2.739
  971   1HN3  NCO 103          1HN3      NCO 103  10.664 -11.468  -1.223
  972   2HN3  NCO 103          2HN3      NCO 103  11.439 -10.084  -1.630
  973   3HN3  NCO 103          3HN3      NCO 103  10.034 -10.019  -0.793
  974   1HN4  NCO 103          1HN4      NCO 103  14.132 -11.447   0.135
  975   2HN4  NCO 103          2HN4      NCO 103  14.056  -9.840  -0.169
  976   3HN4  NCO 103          3HN4      NCO 103  13.365 -10.903  -1.206
  977   1HN5  NCO 103          1HN5      NCO 103  12.314 -11.120   3.153
  978   2HN5  NCO 103          2HN5      NCO 103  13.711 -11.260   2.310
  979   3HN5  NCO 103          3HN5      NCO 103  13.155  -9.779   2.733
  980   1HN6  NCO 103          1HN6      NCO 103  12.496  -8.336   1.591
  981   2HN6  NCO 103          2HN6      NCO 103  12.463  -8.320  -0.046
  982   3HN6  NCO 103          3HN6      NCO 103  11.064  -8.253   0.802
  983   1HN1  NCO 104          1HN1      NCO 104  11.105  17.966  -1.036
  984   2HN1  NCO 104          2HN1      NCO 104  10.627  17.085  -2.331
  985   3HN1  NCO 104          3HN1      NCO 104   9.553  18.047  -1.555
  986   1HN2  NCO 104          1HN2      NCO 104   7.543  16.253   0.593
  987   2HN2  NCO 104          2HN2      NCO 104   7.852  17.366  -0.568
  988   3HN2  NCO 104          3HN2      NCO 104   8.425  17.584   0.951
  989   1HN3  NCO 104          1HN3      NCO 104  11.811  16.744   1.096
  990   2HN3  NCO 104          2HN3      NCO 104  10.579  17.812   1.241
  991   3HN3  NCO 104          3HN3      NCO 104  10.561  16.419   2.101
  992   1HN4  NCO 104          1HN4      NCO 104  11.435  14.659  -1.672
  993   2HN4  NCO 104          2HN4      NCO 104  11.681  14.257  -0.105
  994   3HN4  NCO 104          3HN4      NCO 104  12.290  15.658  -0.695
  995   1HN5  NCO 104          1HN5      NCO 104   8.787  15.745  -2.465
  996   2HN5  NCO 104          2HN5      NCO 104   8.047  14.733  -1.413
  997   3HN5  NCO 104          3HN5      NCO 104   9.486  14.317  -2.076
  998   1HN6  NCO 104          1HN6      NCO 104  10.164  14.226   1.533
  999   2HN6  NCO 104          2HN6      NCO 104   9.082  13.684   0.430
 1000   3HN6  NCO 104          3HN6      NCO 104   8.621  14.773   1.563
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   2.971 -46.657  -5.388
    2   2H5*    G   1          2H5*        G   1   3.767 -45.172  -5.949
    3    H4*    G   1           H4*        G   1   2.823 -46.218  -7.874
    4    H3*    G   1           H3*        G   1   1.398 -43.769  -6.913
    5    H2*    G   1           H2*        G   1  -0.473 -44.086  -8.279
    6   2HO*    G   1          2HO*        G   1  -0.047 -46.033  -9.920
    7    H1*    G   1           H1*        G   1  -0.692 -46.804  -8.205
    8    H8     G   1           H8         G   1   0.213 -46.080  -4.698
    9    H1     G   1           H1         G   1  -5.752 -44.154  -6.015
   10   1H2     G   1          1H2         G   1  -6.087 -44.176  -8.208
   11   2H2     G   1          2H2         G   1  -4.848 -44.660  -9.345
   12    H5T    G   1           H5T        G   1   2.498 -44.871  -4.058
   13   1H5*    G   2          1H5*        G   2   0.385 -43.775 -10.595
   14   2H5*    G   2          2H5*        G   2   0.966 -42.357 -11.492
   15    H4*    G   2           H4*        G   2  -1.431 -42.622 -11.821
   16    H3*    G   2           H3*        G   2  -0.566 -40.251 -10.168
   17    H2*    G   2           H2*        G   2  -2.774 -39.687  -9.701
   18   2HO*    G   2          2HO*        G   2  -4.432 -40.862 -11.197
   19    H1*    G   2           H1*        G   2  -3.915 -42.270  -9.892
   20    H8     G   2           H8         G   2  -1.060 -42.154  -7.418
   21    H1     G   2           H1         G   2  -6.612 -40.057  -5.014
   22   1H2     G   2          1H2         G   2  -8.097 -39.805  -6.645
   23   2H2     G   2          2H2         G   2  -7.720 -40.150  -8.319
   24   1H5*    G   3          1H5*        G   3  -3.107 -38.960 -12.822
   25   2H5*    G   3          2H5*        G   3  -2.732 -37.628 -13.933
   26    H4*    G   3           H4*        G   3  -4.776 -37.035 -12.890
   27    H3*    G   3           H3*        G   3  -2.406 -35.579 -11.739
   28    H2*    G   3           H2*        G   3  -3.670 -34.650 -10.023
   29   2HO*    G   3          2HO*        G   3  -6.171 -34.899 -10.434
   30    H1*    G   3           H1*        G   3  -5.619 -36.660  -9.756
   31    H8     G   3           H8         G   3  -1.904 -37.673  -9.634
   32    H1     G   3           H1         G   3  -4.501 -36.274  -3.950
   33   1H2     G   3          1H2         G   3  -6.544 -35.465  -4.235
   34   2H2     G   3          2H2         G   3  -7.267 -35.265  -5.814
   35   1H5*    A   4          1H5*        A   4  -5.669 -33.491 -12.134
   36   2H5*    A   4          2H5*        A   4  -5.772 -32.047 -13.163
   37    H4*    A   4           H4*        A   4  -6.998 -31.486 -11.233
   38    H3*    A   4           H3*        A   4  -4.210 -30.346 -11.133
   39    H2*    A   4           H2*        A   4  -4.496 -29.602  -8.946
   40   2HO*    A   4          2HO*        A   4  -6.276 -28.635  -8.398
   41    H1*    A   4           H1*        A   4  -6.310 -31.551  -8.049
   42    H8     A   4           H8         A   4  -2.995 -32.570  -9.768
   43   1H6     A   4          1H6         A   4  -0.762 -33.157  -4.047
   44   2H6     A   4          2H6         A   4  -0.437 -33.382  -5.751
   45    H2     A   4           H2         A   4  -4.921 -31.471  -3.738
   46   1H5*    U   5          1H5*        U   5  -7.050 -27.349  -9.632
   47   2H5*    U   5          2H5*        U   5  -6.396 -25.741 -10.000
   48    H4*    U   5           H4*        U   5  -6.769 -26.345  -7.526
   49    H3*    U   5           H3*        U   5  -4.239 -25.166  -8.650
   50    H2*    U   5           H2*        U   5  -3.076 -25.471  -6.667
   51   2HO*    U   5          2HO*        U   5  -4.356 -25.755  -4.640
   52    H1*    U   5           H1*        U   5  -4.550 -27.645  -5.608
   53    H3     U   5           H3         U   5  -0.398 -29.379  -5.510
   54    H5     U   5           H5         U   5  -1.171 -28.899  -9.625
   55    H6     U   5           H6         U   5  -3.250 -27.792  -9.038
   56   1H5*    A   6          1H5*        A   6  -7.202 -21.998  -6.237
   57   2H5*    A   6          2H5*        A   6  -6.355 -20.591  -5.561
   58    H4*    A   6           H4*        A   6  -7.535 -22.917  -4.211
   59    H3*    A   6           H3*        A   6  -7.639 -20.191  -3.809
   60    H2*    A   6           H2*        A   6  -5.542 -19.800  -2.871
   61   2HO*    A   6          2HO*        A   6  -6.380 -21.120  -0.547
   62    H1*    A   6           H1*        A   6  -5.260 -22.432  -1.520
   63    H8     A   6           H8         A   6  -3.661 -21.123  -4.786
   64   1H6     A   6          1H6         A   6   1.595 -20.865  -1.558
   65   2H6     A   6          2H6         A   6   0.869 -20.672  -3.137
   66    H2     A   6           H2         A   6  -1.708 -22.029   1.260
   67   1H5*    U   7          1H5*        U   7  -8.868 -19.059   1.079
   68   2H5*    U   7          2H5*        U   7  -7.337 -18.929   0.190
   69    H4*    U   7           H4*        U   7  -7.723 -19.591   2.921
   70    H3*    U   7           H3*        U   7  -5.369 -19.348   1.078
   71    H2*    U   7           H2*        U   7  -4.086 -20.841   2.264
   72   2HO*    U   7          2HO*        U   7  -5.123 -20.736   4.757
   73    H1*    U   7           H1*        U   7  -6.193 -22.018   3.875
   74    H3     U   7           H3         U   7  -5.198 -26.195   2.649
   75    H5     U   7           H5         U   7  -3.766 -23.913  -0.593
   76    H6     U   7           H6         U   7  -4.647 -21.932   0.498
   77   1H5*    G   8          1H5*        G   8  -1.991 -20.248   3.415
   78   2H5*    G   8          2H5*        G   8  -2.178 -18.841   4.480
   79    H4*    G   8           H4*        G   8   0.016 -18.693   3.584
   80    H3*    G   8           H3*        G   8  -1.946 -16.795   2.350
   81    H2*    G   8           H2*        G   8  -0.535 -16.186   0.613
   82   2HO*    G   8          2HO*        G   8   1.276 -16.241   2.535
   83    H1*    G   8           H1*        G   8   0.941 -18.526   0.308
   84    H8     G   8           H8         G   8  -2.754 -19.308   0.415
   85    H1     G   8           H1         G   8  -0.785 -17.197  -5.297
   86   1H2     G   8          1H2         G   8   1.289 -16.433  -5.152
   87   2H2     G   8          2H2         G   8   2.189 -16.439  -3.653
   88   1H5*    G   9          1H5*        G   9  -2.077 -12.476   2.794
   89   2H5*    G   9          2H5*        G   9  -3.016 -13.256   1.504
   90    H4*    G   9           H4*        G   9  -0.065 -12.598   1.558
   91    H3*    G   9           H3*        G   9  -2.421 -11.664  -0.021
   92    H2*    G   9           H2*        G   9  -1.391 -11.900  -2.103
   93   2HO*    G   9          2HO*        G   9   0.701 -10.995  -0.827
   94    H1*    G   9           H1*        G   9   0.124 -14.125  -1.689
   95    H8     G   9           H8         G   9  -2.809 -15.352   0.025
   96    H1     G   9           H1         G   9  -4.111 -14.534  -6.190
   97   1H2     G   9          1H2         G   9  -2.526 -13.292  -7.141
   98   2H2     G   9          2H2         G   9  -1.158 -12.669  -6.246
   99   1H5*    A  10          1H5*        A  10   0.158  -8.355  -0.700
  100   2H5*    A  10          2H5*        A  10  -0.615  -6.782  -0.423
  101    H4*    A  10           H4*        A  10  -0.045  -7.207  -2.815
  102    H3*    A  10           H3*        A  10  -2.914  -6.760  -2.000
  103    H2*    A  10           H2*        A  10  -3.671  -7.200  -4.153
  104   2HO*    A  10          2HO*        A  10  -2.071  -7.094  -5.957
  105    H1*    A  10           H1*        A  10  -1.607  -8.940  -4.986
  106    H8     A  10           H8         A  10  -3.044 -10.335  -1.844
  107   1H6     A  10          1H6         A  10  -7.734 -12.542  -5.212
  108   2H6     A  10          2H6         A  10  -6.953 -12.566  -3.647
  109    H2     A  10           H2         A  10  -5.377  -9.724  -7.798
  110   1H5*    A  11          1H5*        A  11  -1.541  -3.818  -5.274
  111   2H5*    A  11          2H5*        A  11  -2.420  -2.294  -5.037
  112    H4*    A  11           H4*        A  11  -2.503  -3.205  -7.382
  113    H3*    A  11           H3*        A  11  -5.046  -2.719  -5.822
  114    H2*    A  11           H2*        A  11  -6.330  -3.506  -7.641
  115   2HO*    A  11          2HO*        A  11  -5.588  -2.665  -9.457
  116    H1*    A  11           H1*        A  11  -4.716  -5.605  -8.355
  117    H8     A  11           H8         A  11  -4.794  -5.374  -4.572
  118   1H6     A  11          1H6         A  11 -10.063  -8.597  -4.822
  119   2H6     A  11          2H6         A  11  -8.825  -7.950  -3.769
  120    H2     A  11           H2         A  11  -8.966  -7.410  -9.012
  121   1H5*    G  12          1H5*        G  12  -6.084  -0.170  -9.180
  122   2H5*    G  12          2H5*        G  12  -6.632   1.351  -8.447
  123    H4*    G  12           H4*        G  12  -8.373   0.318  -9.861
  124    H3*    G  12           H3*        G  12  -8.927   0.508  -6.889
  125    H2*    G  12           H2*        G  12 -11.024  -0.501  -7.229
  126   2HO*    G  12          2HO*        G  12 -10.724  -0.010 -10.022
  127    H1*    G  12           H1*        G  12 -10.273  -2.241  -9.266
  128    H8     G  12           H8         G  12  -7.747  -2.350  -6.444
  129    H1     G  12           H1         G  12 -13.012  -5.803  -5.295
  130   1H2     G  12          1H2         G  12 -14.555  -5.363  -6.838
  131   2H2     G  12          2H2         G  12 -14.285  -4.221  -8.133
  132   1H5*    A  13          1H5*        A  13 -12.342   1.989  -9.001
  133   2H5*    A  13          2H5*        A  13 -12.809   3.564  -8.328
  134    H4*    A  13           H4*        A  13 -14.756   2.105  -8.500
  135    H3*    A  13           H3*        A  13 -13.807   2.772  -5.714
  136    H2*    A  13           H2*        A  13 -15.432   1.378  -4.767
  137   2HO*    A  13          2HO*        A  13 -17.374   1.368  -5.554
  138    H1*    A  13           H1*        A  13 -15.488  -0.596  -6.727
  139    H8     A  13           H8         A  13 -12.001   0.523  -5.558
  140   1H6     A  13          1H6         A  13 -12.430  -4.025  -1.401
  141   2H6     A  13          2H6         A  13 -11.383  -2.813  -2.102
  142    H2     A  13           H2         A  13 -16.400  -3.670  -3.476
  143   1H5*    A  14          1H5*        A  14 -18.184   3.376  -5.956
  144   2H5*    A  14          2H5*        A  14 -18.544   4.944  -5.206
  145    H4*    A  14           H4*        A  14 -20.018   3.197  -4.325
  146    H3*    A  14           H3*        A  14 -18.005   4.383  -2.412
  147    H2*    A  14           H2*        A  14 -18.698   2.931  -0.715
  148   2HO*    A  14          2HO*        A  14 -20.786   1.665  -1.254
  149    H1*    A  14           H1*        A  14 -19.336   0.722  -2.298
  150    H8     A  14           H8         A  14 -15.956   2.453  -2.937
  151   1H6     A  14          1H6         A  14 -13.623  -1.568   1.126
  152   2H6     A  14          2H6         A  14 -13.251  -0.303  -0.023
  153    H2     A  14           H2         A  14 -18.094  -2.071   1.095
  154   1H5*    C  15          1H5*        C  15 -22.056   4.348  -0.486
  155   2H5*    C  15          2H5*        C  15 -22.241   5.945   0.267
  156    H4*    C  15           H4*        C  15 -22.826   4.244   1.881
  157    H3*    C  15           H3*        C  15 -20.188   5.621   2.419
  158    H2*    C  15           H2*        C  15 -19.864   4.276   4.318
  159   2HO*    C  15          2HO*        C  15 -21.732   2.952   5.078
  160    H1*    C  15           H1*        C  15 -21.015   1.939   3.332
  161   1H4     C  15          1H4         C  15 -14.787   0.881   2.659
  162   2H4     C  15          2H4         C  15 -14.659   2.143   1.455
  163    H5     C  15           H5         C  15 -16.510   3.531   0.796
  164    H6     C  15           H6         C  15 -18.881   4.031   1.165
  165   1H5*    C  16          1H5*        C  16 -21.947   5.821   6.047
  166   2H5*    C  16          2H5*        C  16 -21.676   7.370   6.870
  167    H4*    C  16           H4*        C  16 -20.668   5.548   8.144
  168    H3*    C  16           H3*        C  16 -18.766   7.489   6.826
  169    H2*    C  16           H2*        C  16 -16.931   6.252   7.541
  170   2HO*    C  16          2HO*        C  16 -18.669   5.441   9.615
  171    H1*    C  16           H1*        C  16 -18.160   3.709   7.620
  172   1H4     C  16          1H4         C  16 -14.105   3.351   2.747
  173   2H4     C  16          2H4         C  16 -15.016   4.540   1.842
  174    H5     C  16           H5         C  16 -16.963   5.661   2.721
  175    H6     C  16           H6         C  16 -18.436   5.905   4.667
  176   1H5*    G  17          1H5*        G  17 -18.249   6.896  11.308
  177   2H5*    G  17          2H5*        G  17 -18.078   8.506  12.037
  178    H4*    G  17           H4*        G  17 -16.535   7.046  13.147
  179    H3*    G  17           H3*        G  17 -15.210   8.935  11.196
  180    H2*    G  17           H2*        G  17 -13.118   7.971  11.624
  181   2HO*    G  17          2HO*        G  17 -13.299   6.296  13.573
  182    H1*    G  17           H1*        G  17 -13.948   5.343  11.987
  183    H8     G  17           H8         G  17 -15.516   7.076   8.967
  184    H1     G  17           H1         G  17  -9.800   4.458   7.771
  185   1H2     G  17          1H2         G  17  -8.871   3.761   9.668
  186   2H2     G  17          2H2         G  17  -9.654   3.946  11.222
  187   1H5*    G  18          1H5*        G  18 -12.721   8.247  14.284
  188   2H5*    G  18          2H5*        G  18 -12.296   9.756  15.115
  189    H4*    G  18           H4*        G  18 -10.286   8.454  14.686
  190    H3*    G  18           H3*        G  18 -10.570  10.976  13.043
  191    H2*    G  18           H2*        G  18  -8.610  10.478  11.886
  192   2HO*    G  18          2HO*        G  18  -7.086   8.897  12.850
  193    H1*    G  18           H1*        G  18  -8.710   7.651  12.149
  194    H8     G  18           H8         G  18 -11.754   9.284  10.528
  195    H1     G  18           H1         G  18  -7.028   7.932   6.430
  196   1H2     G  18          1H2         G  18  -5.210   7.312   7.542
  197   2H2     G  18          2H2         G  18  -5.160   7.231   9.288
  198   1H5*    G  19          1H5*        G  19  -6.804  10.477  13.918
  199   2H5*    G  19          2H5*        G  19  -6.169  11.703  15.034
  200    H4*    G  19           H4*        G  19  -4.469  11.521  13.447
  201    H3*    G  19           H3*        G  19  -6.290  13.805  12.687
  202    H2*    G  19           H2*        G  19  -5.177  14.100  10.665
  203   2HO*    G  19          2HO*        G  19  -3.000  13.430  10.378
  204    H1*    G  19           H1*        G  19  -4.252  11.442  10.313
  205    H8     G  19           H8         G  19  -8.002  12.272  10.779
  206    H1     G  19           H1         G  19  -6.059  11.800   4.697
  207   1H2     G  19          1H2         G  19  -3.858  11.530   4.622
  208   2H2     G  19          2H2         G  19  -2.870  11.466   6.065
  209   1H5*    G  20          1H5*        G  20  -5.465  18.129  12.894
  210   2H5*    G  20          2H5*        G  20  -6.802  17.447  11.947
  211    H4*    G  20           H4*        G  20  -3.883  17.640  11.278
  212    H3*    G  20           H3*        G  20  -6.480  18.322   9.931
  213    H2*    G  20           H2*        G  20  -5.704  17.654   7.815
  214   2HO*    G  20          2HO*        G  20  -3.729  18.652   7.732
  215    H1*    G  20           H1*        G  20  -4.324  15.421   8.532
  216    H8     G  20           H8         G  20  -7.134  15.078  10.855
  217    H1     G  20           H1         G  20  -9.145  14.412   4.816
  218   1H2     G  20          1H2         G  20  -7.565  15.050   3.412
  219   2H2     G  20          2H2         G  20  -6.012  15.647   3.952
  220   1H5*    A  21          1H5*        A  21  -7.119  23.003   9.846
  221   2H5*    A  21          2H5*        A  21  -8.268  21.684   9.545
  222    H4*    A  21           H4*        A  21  -8.524  23.526   7.923
  223    H3*    A  21           H3*        A  21  -7.789  20.778   7.011
  224    H2*    A  21           H2*        A  21  -7.216  21.427   4.839
  225   2HO*    A  21          2HO*        A  21  -9.104  23.383   5.330
  226    H1*    A  21           H1*        A  21  -6.089  23.867   5.311
  227    H8     A  21           H8         A  21  -5.241  21.205   7.955
  228   1H6     A  21          1H6         A  21  -0.321  19.909   4.463
  229   2H6     A  21          2H6         A  21  -1.135  19.590   5.978
  230    H2     A  21           H2         A  21  -2.858  22.865   2.222
  231   1H5*    A  22          1H5*        A  22 -10.467  19.145   3.766
  232   2H5*    A  22          2H5*        A  22  -9.223  17.951   4.188
  233    H4*    A  22           H4*        A  22  -9.136  20.196   2.283
  234    H3*    A  22           H3*        A  22  -7.815  17.515   2.587
  235    H2*    A  22           H2*        A  22  -5.825  18.215   1.606
  236   2HO*    A  22          2HO*        A  22  -7.521  19.997   0.275
  237    H1*    A  22           H1*        A  22  -5.786  20.868   2.407
  238    H8     A  22           H8         A  22  -6.406  19.570   5.668
  239   1H6     A  22          1H6         A  22  -0.819  16.947   5.800
  240   2H6     A  22          2H6         A  22  -2.203  17.435   6.753
  241    H2     A  22           H2         A  22  -1.725  18.054   1.537
  242   1H5*    A  23          1H5*        A  23  -7.480  17.538  -2.689
  243   2H5*    A  23          2H5*        A  23  -7.806  15.830  -2.337
  244    H4*    A  23           H4*        A  23  -5.562  16.645  -3.547
  245    H3*    A  23           H3*        A  23  -6.073  14.327  -1.724
  246    H2*    A  23           H2*        A  23  -3.807  13.916  -1.311
  247   2HO*    A  23          2HO*        A  23  -2.370  15.430  -2.852
  248    H1*    A  23           H1*        A  23  -2.849  16.468  -1.229
  249    H8     A  23           H8         A  23  -6.325  15.991   0.351
  250   1H6     A  23          1H6         A  23  -3.319  15.158   5.682
  251   2H6     A  23          2H6         A  23  -4.892  15.352   4.937
  252    H2     A  23           H2         A  23  -0.258  15.386   2.388
  253   1H5*    C  24          1H5*        C  24  -3.763  12.479  -3.924
  254   2H5*    C  24          2H5*        C  24  -4.133  10.783  -4.298
  255    H4*    C  24           H4*        C  24  -2.324  11.084  -2.592
  256    H3*    C  24           H3*        C  24  -4.847   9.582  -1.880
  257    H2*    C  24           H2*        C  24  -4.075   9.263   0.311
  258   2HO*    C  24          2HO*        C  24  -1.498   9.866  -0.739
  259    H1*    C  24           H1*        C  24  -2.754  11.688   0.624
  260   1H4     C  24          1H4         C  24  -8.296  12.408   3.672
  261   2H4     C  24          2H4         C  24  -9.152  12.527   2.152
  262    H5     C  24           H5         C  24  -8.079  12.277   0.008
  263    H6     C  24           H6         C  24  -5.960  11.824  -1.139
  264   1H5*    U  25          1H5*        U  25  -1.952   7.835  -0.305
  265   2H5*    U  25          2H5*        U  25  -1.663   6.105  -0.565
  266    H4*    U  25           H4*        U  25  -1.661   6.538   1.809
  267    H3*    U  25           H3*        U  25  -4.121   5.088   0.813
  268    H2*    U  25           H2*        U  25  -5.026   5.103   2.970
  269   2HO*    U  25          2HO*        U  25  -2.636   5.863   4.233
  270    H1*    U  25           H1*        U  25  -3.847   7.506   3.864
  271    H3     U  25           H3         U  25  -8.248   8.371   4.395
  272    H5     U  25           H5         U  25  -7.716   8.327   0.214
  273    H6     U  25           H6         U  25  -5.439   7.570   0.578
  274   1H5*    U  26          1H5*        U  26  -2.513   3.597   4.036
  275   2H5*    U  26          2H5*        U  26  -1.879   1.940   4.109
  276    H4*    U  26           H4*        U  26  -2.959   2.105   6.151
  277    H3*    U  26           H3*        U  26  -4.950   1.002   4.161
  278    H2*    U  26           H2*        U  26  -6.640   1.075   5.769
  279   2HO*    U  26          2HO*        U  26  -5.407   1.674   8.059
  280    H1*    U  26           H1*        U  26  -5.790   3.342   7.159
  281    H3     U  26           H3         U  26  -9.714   4.908   5.619
  282    H5     U  26           H5         U  26  -7.579   4.040   2.094
  283    H6     U  26           H6         U  26  -5.799   3.138   3.472
  284   1H5*    G  27          1H5*        G  27  -5.146  -0.797   7.786
  285   2H5*    G  27          2H5*        G  27  -5.712  -2.477   7.856
  286    H4*    G  27           H4*        G  27  -7.156  -0.824   9.084
  287    H3*    G  27           H3*        G  27  -8.342  -2.466   6.831
  288    H2*    G  27           H2*        G  27 -10.392  -1.404   7.166
  289   2HO*    G  27          2HO*        G  27  -9.987  -1.866   9.614
  290    H1*    G  27           H1*        G  27  -9.357   1.035   8.201
  291    H8     G  27           H8         G  27  -8.181  -0.026   4.709
  292    H1     G  27           H1         G  27 -13.618   3.351   4.788
  293   1H2     G  27          1H2         G  27 -14.325   3.596   6.877
  294   2H2     G  27          2H2         G  27 -13.457   2.934   8.244
  295   1H5*    G  28          1H5*        G  28 -10.843  -3.625  10.568
  296   2H5*    G  28          2H5*        G  28 -10.568  -5.379  10.576
  297    H4*    G  28           H4*        G  28 -12.860  -5.278  10.876
  298    H3*    G  28           H3*        G  28 -12.315  -5.503   7.918
  299    H2*    G  28           H2*        G  28 -14.601  -5.221   7.414
  300   2HO*    G  28          2HO*        G  28 -15.833  -5.065   9.753
  301    H1*    G  28           H1*        G  28 -15.173  -3.262   9.223
  302    H8     G  28           H8         G  28 -11.682  -3.109   7.593
  303    H1     G  28           H1         G  28 -16.230   0.093   4.424
  304   1H2     G  28          1H2         G  28 -18.207  -0.241   5.392
  305   2H2     G  28          2H2         G  28 -18.406  -1.271   6.789
  306   1H5*    U  29          1H5*        U  29 -15.630  -7.766   8.337
  307   2H5*    U  29          2H5*        U  29 -15.416  -9.374   7.617
  308    H4*    U  29           H4*        U  29 -17.379  -8.267   6.673
  309    H3*    U  29           H3*        U  29 -15.033  -8.646   4.804
  310    H2*    U  29           H2*        U  29 -16.172  -7.534   3.101
  311   2HO*    U  29          2HO*        U  29 -18.161  -8.076   2.733
  312    H1*    U  29           H1*        U  29 -17.744  -5.831   4.723
  313    H3     U  29           H3         U  29 -15.561  -2.928   2.026
  314    H5     U  29           H5         U  29 -12.538  -4.465   4.535
  315    H6     U  29           H6         U  29 -14.166  -6.025   5.429
  316   1H5*    U  30          1H5*        U  30 -18.795  -9.808   3.170
  317   2H5*    U  30          2H5*        U  30 -18.741 -11.378   2.345
  318    H4*    U  30           H4*        U  30 -19.910  -9.772   0.951
  319    H3*    U  30           H3*        U  30 -17.167 -10.570  -0.043
  320    H2*    U  30           H2*        U  30 -17.398  -9.127  -1.873
  321   2HO*    U  30          2HO*        U  30 -20.036  -9.779  -1.582
  322    H1*    U  30           H1*        U  30 -18.889  -7.130  -0.605
  323    H3     U  30           H3         U  30 -15.162  -4.868  -1.708
  324    H5     U  30           H5         U  30 -13.820  -7.617   1.195
  325    H6     U  30           H6         U  30 -16.039  -8.601   1.190
  326   1H5*    C  31          1H5*        C  31 -19.938 -10.723  -3.290
  327   2H5*    C  31          2H5*        C  31 -19.471 -11.973  -4.458
  328    H4*    C  31           H4*        C  31 -19.575  -9.639  -5.394
  329    H3*    C  31           H3*        C  31 -16.967 -11.178  -5.503
  330    H2*    C  31           H2*        C  31 -15.975  -9.358  -6.593
  331   2HO*    C  31          2HO*        C  31 -17.714  -7.617  -7.268
  332    H1*    C  31           H1*        C  31 -17.470  -7.332  -5.334
  333   1H4     C  31          1H4         C  31 -11.705  -6.883  -2.715
  334   2H4     C  31          2H4         C  31 -11.929  -8.397  -1.868
  335    H5     C  31           H5         C  31 -13.881  -9.784  -2.137
  336    H6     C  31           H6         C  31 -16.027 -10.032  -3.298
  337   1H5*    U  32          1H5*        U  32 -17.562 -10.121  -9.775
  338   2H5*    U  32          2H5*        U  32 -17.323 -11.663 -10.623
  339    H4*    U  32           H4*        U  32 -15.886 -10.000 -11.622
  340    H3*    U  32           H3*        U  32 -14.469 -12.081  -9.956
  341    H2*    U  32           H2*        U  32 -12.407 -11.025 -10.296
  342   2HO*    U  32          2HO*        U  32 -12.042  -9.592 -12.009
  343    H1*    U  32           H1*        U  32 -13.293  -8.388 -10.336
  344    H3     U  32           H3         U  32 -10.759  -8.361  -6.615
  345    H5     U  32           H5         U  32 -13.985 -10.863  -5.585
  346    H6     U  32           H6         U  32 -14.771 -10.678  -7.874
  347   1H5*    U  33          1H5*        U  33 -12.546 -11.025 -13.777
  348   2H5*    U  33          2H5*        U  33 -11.928 -12.496 -14.552
  349    H4*    U  33           H4*        U  33 -10.271 -10.620 -14.451
  350    H3*    U  33           H3*        U  33  -9.674 -13.274 -13.151
  351    H2*    U  33           H2*        U  33  -7.684 -12.473 -12.247
  352   2HO*    U  33          2HO*        U  33  -7.260 -11.533 -14.533
  353    H1*    U  33           H1*        U  33  -8.396  -9.768 -11.954
  354    H3     U  33           H3         U  33  -7.409 -10.875  -7.689
  355    H5     U  33           H5         U  33 -10.881 -13.110  -8.523
  356    H6     U  33           H6         U  33 -10.741 -12.349 -10.824
  357   1H5*    C  34          1H5*        C  34  -5.019 -14.637 -15.247
  358   2H5*    C  34          2H5*        C  34  -5.888 -14.807 -13.708
  359    H4*    C  34           H4*        C  34  -3.969 -12.549 -14.374
  360    H3*    C  34           H3*        C  34  -3.510 -15.189 -13.004
  361    H2*    C  34           H2*        C  34  -2.352 -14.197 -11.242
  362   2HO*    C  34          2HO*        C  34  -0.898 -13.054 -12.609
  363    H1*    C  34           H1*        C  34  -3.669 -11.737 -11.158
  364   1H4     C  34          1H4         C  34  -5.776 -15.270  -6.253
  365   2H4     C  34          2H4         C  34  -7.150 -15.733  -7.232
  366    H5     C  34           H5         C  34  -7.359 -15.164  -9.562
  367    H6     C  34           H6         C  34  -6.298 -14.030 -11.458
  368   1H5*    C  35          1H5*        C  35   1.789 -15.086 -14.029
  369   2H5*    C  35          2H5*        C  35   1.241 -16.658 -13.414
  370    H4*    C  35           H4*        C  35   2.828 -14.626 -12.105
  371    H3*    C  35           H3*        C  35   2.050 -17.478 -11.554
  372    H2*    C  35           H2*        C  35   2.324 -17.245  -9.263
  373   2HO*    C  35          2HO*        C  35   4.445 -16.542  -9.291
  374    H1*    C  35           H1*        C  35   1.794 -14.492  -9.004
  375   1H4     C  35          1H4         C  35  -3.129 -17.663  -6.428
  376   2H4     C  35          2H4         C  35  -3.947 -17.570  -7.970
  377    H5     C  35           H5         C  35  -2.907 -16.723  -9.966
  378    H6     C  35           H6         C  35  -0.855 -15.786 -10.922
  379   1H5*    U  36          1H5*        U  36   5.120 -20.600 -10.773
  380   2H5*    U  36          2H5*        U  36   3.479 -20.918 -10.173
  381    H4*    U  36           H4*        U  36   5.847 -19.792  -8.660
  382    H3*    U  36           H3*        U  36   4.280 -22.340  -8.544
  383    H2*    U  36           H2*        U  36   4.012 -22.290  -6.235
  384   2HO*    U  36          2HO*        U  36   6.447 -20.921  -6.346
  385    H1*    U  36           H1*        U  36   3.969 -19.553  -5.780
  386    H3     U  36           H3         U  36  -0.069 -21.321  -4.496
  387    H5     U  36           H5         U  36  -0.394 -20.616  -8.639
  388    H6     U  36           H6         U  36   1.988 -20.147  -8.678
  389   1H5*    A  37          1H5*        A  37   7.641 -25.345  -5.945
  390   2H5*    A  37          2H5*        A  37   6.222 -26.145  -6.651
  391    H4*    A  37           H4*        A  37   6.644 -25.068  -3.893
  392    H3*    A  37           H3*        A  37   6.318 -27.628  -4.826
  393    H2*    A  37           H2*        A  37   4.108 -27.542  -5.580
  394   2HO*    A  37          2HO*        A  37   4.141 -28.054  -2.844
  395    H1*    A  37           H1*        A  37   3.122 -25.630  -3.524
  396    H8     A  37           H8         A  37   3.947 -25.351  -7.326
  397   1H6     A  37          1H6         A  37  -2.098 -24.289  -8.006
  398   2H6     A  37          2H6         A  37  -0.557 -24.406  -8.825
  399    H2     A  37           H2         A  37  -1.318 -25.086  -3.652
  400   1H5*    A  38          1H5*        A  38   8.425 -26.815   0.069
  401   2H5*    A  38          2H5*        A  38   8.617 -28.541   0.437
  402    H4*    A  38           H4*        A  38   7.790 -27.446   2.410
  403    H3*    A  38           H3*        A  38   5.854 -29.226   0.972
  404    H2*    A  38           H2*        A  38   4.019 -28.519   2.212
  405   2HO*    A  38          2HO*        A  38   4.634 -27.227   4.276
  406    H1*    A  38           H1*        A  38   4.776 -25.902   2.784
  407    H8     A  38           H8         A  38   5.301 -26.326  -0.882
  408   1H6     A  38          1H6         A  38  -0.772 -25.474  -1.625
  409   2H6     A  38          2H6         A  38   0.776 -25.579  -2.435
  410    H2     A  38           H2         A  38   0.015 -26.063   2.761
  411   1H5*    G  39          1H5*        G  39   4.134 -32.611   3.465
  412   2H5*    G  39          2H5*        G  39   3.365 -32.498   1.870
  413    H4*    G  39           H4*        G  39   2.759 -31.037   4.404
  414    H3*    G  39           H3*        G  39   1.224 -32.486   2.298
  415    H2*    G  39           H2*        G  39  -0.467 -30.898   2.096
  416   2HO*    G  39          2HO*        G  39  -1.180 -29.721   3.747
  417    H1*    G  39           H1*        G  39   0.914 -28.580   2.505
  418    H8     G  39           H8         G  39   3.275 -30.521   0.407
  419    H1     G  39           H1         G  39  -1.741 -28.435  -2.980
  420   1H2     G  39          1H2         G  39  -3.327 -27.697  -1.615
  421   2H2     G  39          2H2         G  39  -3.152 -27.718   0.127
  422   1H5*    U  40          1H5*        U  40  -1.844 -31.563   5.138
  423   2H5*    U  40          2H5*        U  40  -2.600 -33.095   5.622
  424    H4*    U  40           H4*        U  40  -4.281 -31.452   4.907
  425    H3*    U  40           H3*        U  40  -3.929 -33.971   3.312
  426    H2*    U  40           H2*        U  40  -5.363 -33.259   1.610
  427   2HO*    U  40          2HO*        U  40  -6.335 -31.029   3.007
  428    H1*    U  40           H1*        U  40  -4.781 -30.569   1.591
  429    H3     U  40           H3         U  40  -3.155 -32.058  -2.379
  430    H5     U  40           H5         U  40  -0.340 -33.374   0.470
  431    H6     U  40           H6         U  40  -1.843 -32.611   2.213
  432   1H5*    C  41          1H5*        C  41  -7.905 -33.138   3.547
  433   2H5*    C  41          2H5*        C  41  -8.971 -34.480   4.010
  434    H4*    C  41           H4*        C  41  -9.748 -33.471   1.931
  435    H3*    C  41           H3*        C  41  -8.596 -36.254   1.722
  436    H2*    C  41           H2*        C  41  -8.876 -36.244  -0.600
  437   2HO*    C  41          2HO*        C  41 -10.410 -35.077  -1.632
  438    H1*    C  41           H1*        C  41  -8.405 -33.535  -1.058
  439   1H4     C  41          1H4         C  41  -3.036 -36.422  -2.868
  440   2H4     C  41          2H4         C  41  -2.616 -36.758  -1.203
  441    H5     C  41           H5         C  41  -4.047 -36.215   0.657
  442    H6     C  41           H6         C  41  -6.205 -35.259   1.321
  443   1H5*    C  42          1H5*        C  42 -12.304 -36.043  -0.499
  444   2H5*    C  42          2H5*        C  42 -13.362 -37.364   0.038
  445    H4*    C  42           H4*        C  42 -13.366 -37.307  -2.374
  446    H3*    C  42           H3*        C  42 -11.866 -39.622  -1.153
  447    H2*    C  42           H2*        C  42 -11.209 -40.384  -3.279
  448   2HO*    C  42          2HO*        C  42 -12.189 -39.554  -5.201
  449    H1*    C  42           H1*        C  42 -10.705 -37.953  -4.442
  450   1H4     C  42          1H4         C  42  -5.011 -39.779  -2.263
  451   2H4     C  42          2H4         C  42  -5.500 -39.448  -0.618
  452    H5     C  42           H5         C  42  -7.716 -38.741  -0.017
  453    H6     C  42           H6         C  42  -9.952 -38.199  -0.857
  454   1H5*    U  43          1H5*        U  43 -13.556 -40.732  -4.591
  455   2H5*    U  43          2H5*        U  43 -14.356 -42.315  -4.543
  456    H4*    U  43           H4*        U  43 -12.586 -42.106  -6.308
  457    H3*    U  43           H3*        U  43 -12.367 -44.200  -4.156
  458    H2*    U  43           H2*        U  43 -10.236 -44.766  -4.790
  459   2HO*    U  43          2HO*        U  43  -9.787 -45.219  -6.812
  460    H1*    U  43           H1*        U  43  -9.676 -42.379  -6.343
  461    H3     U  43           H3         U  43  -5.725 -42.883  -4.229
  462    H5     U  43           H5         U  43  -8.457 -42.157  -1.101
  463    H6     U  43           H6         U  43 -10.250 -42.267  -2.732
  464    H3T    U  43           H3T        U  43 -12.846 -45.500  -5.987
  465   1H5*    G  44          1H5*        G  44  -8.931  44.607   1.408
  466   2H5*    G  44          2H5*        G  44  -9.629  42.979   1.281
  467    H4*    G  44           H4*        G  44  -9.007  43.426  -0.915
  468    H3*    G  44           H3*        G  44  -6.939  41.792   0.487
  469    H2*    G  44           H2*        G  44  -5.266  42.138  -1.107
  470   2HO*    G  44          2HO*        G  44  -6.740  43.406  -3.057
  471    H1*    G  44           H1*        G  44  -5.740  44.724  -1.805
  472    H8     G  44           H8         G  44  -6.397  44.566   1.890
  473    H1     G  44           H1         G  44  -0.144  44.594   0.506
  474   1H2     G  44          1H2         G  44   0.153  44.302  -1.674
  475   2H2     G  44          2H2         G  44  -1.183  44.096  -2.786
  476    H5T    G  44           H5T        G  44  -8.073  42.219   2.457
  477   1H5*    G  45          1H5*        G  45  -6.139  40.925  -3.096
  478   2H5*    G  45          2H5*        G  45  -6.295  39.205  -3.507
  479    H4*    G  45           H4*        G  45  -4.077  40.027  -4.112
  480    H3*    G  45           H3*        G  45  -4.207  38.058  -1.825
  481    H2*    G  45           H2*        G  45  -1.925  38.273  -1.439
  482   2HO*    G  45          2HO*        G  45  -0.636  38.098  -3.079
  483    H1*    G  45           H1*        G  45  -1.584  40.899  -2.475
  484    H8     G  45           H8         G  45  -4.132  40.836   0.297
  485    H1     G  45           H1         G  45   1.913  40.930   2.414
  486   1H2     G  45          1H2         G  45   3.307  40.538   0.737
  487   2H2     G  45          2H2         G  45   2.756  40.269  -0.900
  488   1H5*    G  46          1H5*        G  46  -1.432  37.504  -4.712
  489   2H5*    G  46          2H5*        G  46  -1.324  35.967  -5.592
  490    H4*    G  46           H4*        G  46   0.914  36.696  -5.193
  491    H3*    G  46           H3*        G  46   0.030  34.438  -3.405
  492    H2*    G  46           H2*        G  46   2.023  34.514  -2.178
  493   2HO*    G  46          2HO*        G  46   3.305  36.285  -3.945
  494    H1*    G  46           H1*        G  46   2.448  37.242  -2.205
  495    H8     G  46           H8         G  46  -1.190  36.206  -1.549
  496    H1     G  46           H1         G  46   2.474  36.500   3.692
  497   1H2     G  46          1H2         G  46   4.595  36.830   3.111
  498   2H2     G  46          2H2         G  46   5.101  36.972   1.445
  499   1H5*    A  47          1H5*        A  47   3.768  33.917  -4.643
  500   2H5*    A  47          2H5*        A  47   4.288  32.340  -5.271
  501    H4*    A  47           H4*        A  47   5.784  33.134  -3.489
  502    H3*    A  47           H3*        A  47   4.144  30.659  -2.965
  503    H2*    A  47           H2*        A  47   4.880  30.541  -0.761
  504   2HO*    A  47          2HO*        A  47   7.182  31.357  -1.888
  505    H1*    A  47           H1*        A  47   5.337  33.288  -0.311
  506    H8     A  47           H8         A  47   1.857  32.395  -1.620
  507   1H6     A  47          1H6         A  47   0.222  31.762   4.302
  508   2H6     A  47          2H6         A  47  -0.347  31.798   2.648
  509    H2     A  47           H2         A  47   4.676  32.352   4.154
  510   1H5*    U  48          1H5*        U  48   7.958  29.251  -1.820
  511   2H5*    U  48          2H5*        U  48   8.118  27.554  -2.314
  512    H4*    U  48           H4*        U  48   8.175  27.922   0.169
  513    H3*    U  48           H3*        U  48   6.122  26.130  -1.110
  514    H2*    U  48           H2*        U  48   4.963  25.850   0.881
  515   2HO*    U  48          2HO*        U  48   6.371  26.595   2.890
  516    H1*    U  48           H1*        U  48   5.688  28.268   2.165
  517    H3     U  48           H3         U  48   1.194  28.528   2.359
  518    H5     U  48           H5         U  48   2.033  28.833  -1.761
  519    H6     U  48           H6         U  48   4.364  28.382  -1.252
  520   1H5*    A  49          1H5*        A  49   8.111  24.050   2.371
  521   2H5*    A  49          2H5*        A  49   9.327  23.151   1.440
  522    H4*    A  49           H4*        A  49   8.638  22.069   3.603
  523    H3*    A  49           H3*        A  49   9.049  20.777   1.110
  524    H2*    A  49           H2*        A  49   6.832  20.115   0.760
  525   2HO*    A  49          2HO*        A  49   6.781  18.049   1.242
  526    H1*    A  49           H1*        A  49   6.375  19.927   3.738
  527    H8     A  49           H8         A  49   4.853  20.909   0.308
  528   1H6     A  49          1H6         A  49  -0.601  20.173   3.123
  529   2H6     A  49          2H6         A  49   0.198  20.484   1.600
  530    H2     A  49           H2         A  49   2.625  19.707   6.212
  531   1H5*    U  50          1H5*        U  50  10.409  17.866   5.510
  532   2H5*    U  50          2H5*        U  50   8.995  18.474   4.627
  533    H4*    U  50           H4*        U  50   9.478  18.246   7.547
  534    H3*    U  50           H3*        U  50   7.447  17.403   5.739
  535    H2*    U  50           H2*        U  50   6.115  19.304   5.815
  536   2HO*    U  50          2HO*        U  50   4.568  18.921   7.202
  537    H1*    U  50           H1*        U  50   7.089  20.132   8.526
  538    H3     U  50           H3         U  50   7.899  24.505   6.466
  539    H5     U  50           H5         U  50   4.008  23.030   5.795
  540    H6     U  50           H6         U  50   4.763  20.863   6.587
  541   1H5*    G  51          1H5*        G  51   4.078  17.497   8.384
  542   2H5*    G  51          2H5*        G  51   3.997  15.753   8.703
  543    H4*    G  51           H4*        G  51   1.869  16.641   7.814
  544    H3*    G  51           H3*        G  51   3.395  14.606   6.201
  545    H2*    G  51           H2*        G  51   1.931  14.798   4.401
  546   2HO*    G  51          2HO*        G  51  -0.138  14.824   4.746
  547    H1*    G  51           H1*        G  51   1.146  17.471   4.744
  548    H8     G  51           H8         G  51   4.914  17.106   4.724
  549    H1     G  51           H1         G  51   2.353  17.339  -1.138
  550   1H2     G  51          1H2         G  51   0.145  17.133  -1.008
  551   2H2     G  51          2H2         G  51  -0.694  16.942   0.515
  552   1H5*    G  52          1H5*        G  52   2.821  11.085   4.989
  553   2H5*    G  52          2H5*        G  52   2.838  12.859   4.925
  554    H4*    G  52           H4*        G  52   0.294  11.659   4.051
  555    H3*    G  52           H3*        G  52   2.854  10.886   2.664
  556    H2*    G  52           H2*        G  52   1.968  11.422   0.557
  557   2HO*    G  52          2HO*        G  52  -0.591  11.386   1.812
  558    H1*    G  52           H1*        G  52   0.518  13.645   1.255
  559    H8     G  52           H8         G  52   3.629  14.159   3.176
  560    H1     G  52           H1         G  52   4.608  14.955  -3.099
  561   1H2     G  52          1H2         G  52   2.871  14.156  -4.242
  562   2H2     G  52          2H2         G  52   1.481  13.440  -3.459
  563   1H5*    A  53          1H5*        A  53   0.103   8.294   0.325
  564   2H5*    A  53          2H5*        A  53   0.908   6.716   0.428
  565    H4*    A  53           H4*        A  53   0.480   7.535  -1.916
  566    H3*    A  53           H3*        A  53   3.263   6.868  -0.967
  567    H2*    A  53           H2*        A  53   4.204   7.627  -2.949
  568   2HO*    A  53          2HO*        A  53   3.138   7.550  -4.909
  569    H1*    A  53           H1*        A  53   2.213   9.505  -3.677
  570    H8     A  53           H8         A  53   3.648  10.167  -0.239
  571   1H6     A  53          1H6         A  53   8.204  13.235  -3.073
  572   2H6     A  53          2H6         A  53   7.475  12.846  -1.529
  573    H2     A  53           H2         A  53   5.785  11.128  -6.221
  574   1H5*    A  54          1H5*        A  54   2.124   5.359  -5.254
  575   2H5*    A  54          2H5*        A  54   2.751   3.700  -5.210
  576    H4*    A  54           H4*        A  54   3.328   4.890  -7.308
  577    H3*    A  54           H3*        A  54   5.565   4.003  -5.480
  578    H2*    A  54           H2*        A  54   7.154   4.925  -6.960
  579   2HO*    A  54          2HO*        A  54   5.027   4.912  -8.839
  580    H1*    A  54           H1*        A  54   5.788   7.210  -7.611
  581    H8     A  54           H8         A  54   5.491   6.160  -3.927
  582   1H6     A  54          1H6         A  54  10.502   9.640  -2.961
  583   2H6     A  54          2H6         A  54   9.233   8.702  -2.203
  584    H2     A  54           H2         A  54   9.794   9.442  -7.392
  585   1H5*    G  55          1H5*        G  55   6.583   2.428  -9.184
  586   2H5*    G  55          2H5*        G  55   7.150   0.748  -9.130
  587    H4*    G  55           H4*        G  55   8.863   2.113 -10.144
  588    H3*    G  55           H3*        G  55   9.527   1.231  -7.323
  589    H2*    G  55           H2*        G  55  11.588   2.363  -7.484
  590   2HO*    G  55          2HO*        G  55  11.177   2.000 -10.241
  591    H1*    G  55           H1*        G  55  10.694   4.511  -9.004
  592    H8     G  55           H8         G  55   8.487   3.531  -6.013
  593    H1     G  55           H1         G  55  13.339   7.439  -4.573
  594   1H2     G  55          1H2         G  55  14.673   7.678  -6.335
  595   2H2     G  55          2H2         G  55  14.362   6.873  -7.857
  596   1H5*    A  56          1H5*        A  56  12.842   0.827  -9.533
  597   2H5*    A  56          2H5*        A  56  13.486  -0.827  -9.507
  598    H4*    A  56           H4*        A  56  15.320   0.650  -9.086
  599    H3*    A  56           H3*        A  56  14.338  -0.750  -6.594
  600    H2*    A  56           H2*        A  56  15.848   0.442  -5.286
  601   2HO*    A  56          2HO*        A  56  17.780   0.088  -6.146
  602    H1*    A  56           H1*        A  56  16.029   2.764  -6.896
  603    H8     A  56           H8         A  56  12.560   1.622  -5.692
  604   1H6     A  56          1H6         A  56  13.539   5.230  -0.775
  605   2H6     A  56          2H6         A  56  12.385   4.208  -1.605
  606    H2     A  56           H2         A  56  17.313   5.165  -3.215
  607   1H5*    A  57          1H5*        A  57  18.844  -1.286  -7.202
  608   2H5*    A  57          2H5*        A  57  19.190  -2.978  -6.791
  609    H4*    A  57           H4*        A  57  20.813  -1.506  -5.723
  610    H3*    A  57           H3*        A  57  18.852  -2.863  -3.861
  611    H2*    A  57           H2*        A  57  19.874  -1.804  -2.017
  612   2HO*    A  57          2HO*        A  57  22.009  -1.121  -3.782
  613    H1*    A  57           H1*        A  57  20.302   0.646  -3.193
  614    H8     A  57           H8         A  57  16.934  -0.994  -4.057
  615   1H6     A  57          1H6         A  57  14.685   2.020   0.838
  616   2H6     A  57          2H6         A  57  14.289   1.034  -0.550
  617    H2     A  57           H2         A  57  19.145   2.594   0.793
  618   1H5*    C  58          1H5*        C  58  22.758  -3.361  -2.046
  619   2H5*    C  58          2H5*        C  58  22.922  -5.094  -1.701
  620    H4*    C  58           H4*        C  58  23.495  -3.832   0.284
  621    H3*    C  58           H3*        C  58  20.851  -5.294   0.442
  622    H2*    C  58           H2*        C  58  20.503  -4.446   2.605
  623   2HO*    C  58          2HO*        C  58  22.127  -3.788   3.933
  624    H1*    C  58           H1*        C  58  21.644  -1.940   2.227
  625   1H4     C  58          1H4         C  58  15.382  -0.919   1.769
  626   2H4     C  58          2H4         C  58  15.320  -1.752   0.233
  627    H5     C  58           H5         C  58  17.230  -2.827  -0.762
  628    H6     C  58           H6         C  58  19.610  -3.349  -0.492
  629   1H5*    C  59          1H5*        C  59  22.698  -6.077   3.876
  630   2H5*    C  59          2H5*        C  59  22.406  -7.685   4.571
  631    H4*    C  59           H4*        C  59  21.511  -5.881   6.000
  632    H3*    C  59           H3*        C  59  19.546  -7.799   4.736
  633    H2*    C  59           H2*        C  59  17.759  -6.633   5.666
  634   2HO*    C  59          2HO*        C  59  19.578  -5.457   7.520
  635    H1*    C  59           H1*        C  59  18.946  -4.074   5.723
  636   1H4     C  59          1H4         C  59  14.494  -3.688   1.209
  637   2H4     C  59          2H4         C  59  15.400  -4.764   0.168
  638    H5     C  59           H5         C  59  17.467  -5.817   0.831
  639    H6     C  59           H6         C  59  19.084  -6.100   2.653
  640   1H5*    G  60          1H5*        G  60  19.268  -7.845   9.362
  641   2H5*    G  60          2H5*        G  60  19.125  -9.561   9.794
  642    H4*    G  60           H4*        G  60  17.538  -8.310  11.107
  643    H3*    G  60           H3*        G  60  16.290  -9.945   8.890
  644    H2*    G  60           H2*        G  60  14.162  -9.154   9.484
  645   2HO*    G  60          2HO*        G  60  15.312  -9.033  11.971
  646    H1*    G  60           H1*        G  60  14.897  -6.578  10.234
  647    H8     G  60           H8         G  60  16.441  -7.791   6.951
  648    H1     G  60           H1         G  60  10.638  -5.163   6.292
  649   1H2     G  60          1H2         G  60   9.741  -4.797   8.288
  650   2H2     G  60          2H2         G  60  10.569  -5.194   9.777
  651   1H5*    G  61          1H5*        G  61  13.754  -9.872  12.038
  652   2H5*    G  61          2H5*        G  61  13.488 -11.521  12.635
  653    H4*    G  61           H4*        G  61  11.351 -10.421  12.451
  654    H3*    G  61           H3*        G  61  11.846 -12.498  10.308
  655    H2*    G  61           H2*        G  61   9.809 -11.981   9.310
  656   2HO*    G  61          2HO*        G  61   8.967 -10.842  11.784
  657    H1*    G  61           H1*        G  61   9.629  -9.279  10.178
  658    H8     G  61           H8         G  61  12.748 -10.184   8.172
  659    H1     G  61           H1         G  61   7.701  -8.608   4.564
  660   1H2     G  61          1H2         G  61   5.887  -8.421   5.831
  661   2H2     G  61          2H2         G  61   5.920  -8.684   7.560
  662   1H5*    G  62          1H5*        G  62   7.731 -12.647  11.838
  663   2H5*    G  62          2H5*        G  62   7.463 -14.338  12.306
  664    H4*    G  62           H4*        G  62   5.576 -13.487  10.998
  665    H3*    G  62           H3*        G  62   7.270 -15.639   9.736
  666    H2*    G  62           H2*        G  62   6.091 -15.498   7.737
  667   2HO*    G  62          2HO*        G  62   3.948 -14.848   7.631
  668    H1*    G  62           H1*        G  62   5.278 -12.792   7.914
  669    H8     G  62           H8         G  62   9.015 -13.683   8.191
  670    H1     G  62           H1         G  62   7.009 -12.405   2.250
  671   1H2     G  62          1H2         G  62   4.802 -12.171   2.222
  672   2H2     G  62          2H2         G  62   3.824 -12.326   3.666
  673   1H5*    G  63          1H5*        G  63   6.000 -19.776   9.005
  674   2H5*    G  63          2H5*        G  63   7.435 -19.160   8.160
  675    H4*    G  63           H4*        G  63   4.536 -18.907   7.458
  676    H3*    G  63           H3*        G  63   7.075 -19.646   6.049
  677    H2*    G  63           H2*        G  63   6.521 -18.508   4.083
  678   2HO*    G  63          2HO*        G  63   3.957 -17.752   4.556
  679    H1*    G  63           H1*        G  63   5.254 -16.321   5.123
  680    H8     G  63           H8         G  63   8.011 -16.616   7.527
  681    H1     G  63           H1         G  63  10.216 -14.941   1.757
  682   1H2     G  63          1H2         G  63   8.641 -15.197   0.237
  683   2H2     G  63          2H2         G  63   7.043 -15.794   0.626
  684   1H5*    A  64          1H5*        A  64   8.074 -23.510   5.509
  685   2H5*    A  64          2H5*        A  64   8.605 -21.919   4.925
  686    H4*    A  64           H4*        A  64   9.166 -24.119   3.575
  687    H3*    A  64           H3*        A  64   8.514 -21.383   2.591
  688    H2*    A  64           H2*        A  64   8.006 -22.030   0.408
  689   2HO*    A  64          2HO*        A  64   8.650 -24.390  -0.124
  690    H1*    A  64           H1*        A  64   6.858 -24.471   0.828
  691    H8     A  64           H8         A  64   5.772 -21.990   3.514
  692   1H6     A  64          1H6         A  64   1.206 -20.409  -0.332
  693   2H6     A  64          2H6         A  64   1.854 -20.230   1.284
  694    H2     A  64           H2         A  64   4.011 -23.120  -2.563
  695   1H5*    A  65          1H5*        A  65  11.455 -19.577  -0.358
  696   2H5*    A  65          2H5*        A  65  10.204 -18.435   0.172
  697    H4*    A  65           H4*        A  65  10.269 -20.232  -2.150
  698    H3*    A  65           H3*        A  65   8.953 -17.647  -1.409
  699    H2*    A  65           H2*        A  65   6.988 -18.079  -2.569
  700   2HO*    A  65          2HO*        A  65   7.967 -18.558  -4.554
  701    H1*    A  65           H1*        A  65   6.805 -20.815  -2.307
  702    H8     A  65           H8         A  65   7.611 -20.002   1.147
  703   1H6     A  65          1H6         A  65   1.884 -17.817   1.884
  704   2H6     A  65          2H6         A  65   3.340 -18.341   2.700
  705    H2     A  65           H2         A  65   2.649 -18.232  -2.529
  706   1H5*    A  66          1H5*        A  66   9.226 -15.398  -6.150
  707   2H5*    A  66          2H5*        A  66   8.913 -14.230  -4.852
  708    H4*    A  66           H4*        A  66   7.151 -15.057  -6.898
  709    H3*    A  66           H3*        A  66   6.990 -13.237  -4.531
  710    H2*    A  66           H2*        A  66   4.665 -13.419  -4.294
  711   2HO*    A  66          2HO*        A  66   4.558 -14.602  -6.887
  712    H1*    A  66           H1*        A  66   4.310 -16.043  -4.843
  713    H8     A  66           H8         A  66   7.629 -15.570  -3.029
  714   1H6     A  66          1H6         A  66   4.400 -15.982   2.224
  715   2H6     A  66          2H6         A  66   6.006 -15.924   1.529
  716    H2     A  66           H2         A  66   1.479 -15.750  -1.196
  717   1H5*    C  67          1H5*        C  67   4.553 -11.500  -6.300
  718   2H5*    C  67          2H5*        C  67   4.494  -9.728  -6.394
  719    H4*    C  67           H4*        C  67   2.841 -10.587  -4.796
  720    H3*    C  67           H3*        C  67   5.133  -8.965  -3.679
  721    H2*    C  67           H2*        C  67   4.340  -9.279  -1.498
  722   2HO*    C  67          2HO*        C  67   1.909  -9.421  -2.800
  723    H1*    C  67           H1*        C  67   3.328 -11.858  -1.804
  724   1H4     C  67          1H4         C  67   8.891 -12.577   1.210
  725   2H4     C  67          2H4         C  67   9.765 -12.260  -0.272
  726    H5     C  67           H5         C  67   8.686 -11.659  -2.338
  727    H6     C  67           H6         C  67   6.536 -11.216  -3.428
  728   1H5*    U  68          1H5*        U  68   2.167  -7.953  -1.662
  729   2H5*    U  68          2H5*        U  68   1.668  -6.250  -1.684
  730    H4*    U  68           H4*        U  68   1.800  -6.896   0.607
  731    H3*    U  68           H3*        U  68   4.192  -5.255  -0.250
  732    H2*    U  68           H2*        U  68   5.112  -5.461   1.903
  733   2HO*    U  68          2HO*        U  68   2.846  -6.590   3.088
  734    H1*    U  68           H1*        U  68   4.175  -8.037   2.466
  735    H3     U  68           H3         U  68   8.657  -8.608   2.555
  736    H5     U  68           H5         U  68   7.797  -7.990  -1.525
  737    H6     U  68           H6         U  68   5.501  -7.511  -0.902
  738   1H5*    U  69          1H5*        U  69   2.897  -4.321   3.114
  739   2H5*    U  69          2H5*        U  69   2.306  -2.710   3.569
  740    H4*    U  69           H4*        U  69   3.676  -3.305   5.368
  741    H3*    U  69           H3*        U  69   5.329  -1.679   3.421
  742    H2*    U  69           H2*        U  69   7.194  -1.979   4.781
  743   2HO*    U  69          2HO*        U  69   7.094  -2.196   6.959
  744    H1*    U  69           H1*        U  69   6.458  -4.488   5.875
  745    H3     U  69           H3         U  69  10.482  -5.515   4.133
  746    H5     U  69           H5         U  69   8.237  -4.358   0.767
  747    H6     U  69           H6         U  69   6.417  -3.778   2.258
  748   1H5*    G  70          1H5*        G  70   5.843  -0.542   7.186
  749   2H5*    G  70          2H5*        G  70   6.159   1.164   7.562
  750    H4*    G  70           H4*        G  70   7.992  -0.259   8.341
  751    H3*    G  70           H3*        G  70   8.650   1.577   6.019
  752    H2*    G  70           H2*        G  70  10.830   0.753   6.031
  753   2HO*    G  70          2HO*        G  70  10.368   0.652   8.733
  754    H1*    G  70           H1*        G  70  10.209  -1.812   7.113
  755    H8     G  70           H8         G  70   8.616  -0.663   3.792
  756    H1     G  70           H1         G  70  14.131  -3.865   3.221
  757   1H2     G  70          1H2         G  70  15.021  -4.199   5.223
  758   2H2     G  70          2H2         G  70  14.258  -3.639   6.694
  759   1H5*    G  71          1H5*        G  71  11.091   2.481  10.137
  760   2H5*    G  71          2H5*        G  71  11.082   4.255  10.065
  761    H4*    G  71           H4*        G  71  13.241   3.696  10.828
  762    H3*    G  71           H3*        G  71  13.238   4.339   7.886
  763    H2*    G  71           H2*        G  71  15.499   3.722   7.660
  764   2HO*    G  71          2HO*        G  71  16.118   3.187  10.273
  765    H1*    G  71           H1*        G  71  15.501   1.513   9.253
  766    H8     G  71           H8         G  71  12.185   1.710   7.432
  767    H1     G  71           H1         G  71  16.887  -0.694   3.817
  768   1H2     G  71          1H2         G  71  18.834  -0.488   4.869
  769   2H2     G  71          2H2         G  71  18.979   0.271   6.438
  770   1H5*    U  72          1H5*        U  72  16.843   6.480   9.309
  771   2H5*    U  72          2H5*        U  72  16.647   8.127   8.674
  772    H4*    U  72           H4*        U  72  18.840   7.129   8.081
  773    H3*    U  72           H3*        U  72  16.912   7.805   5.853
  774    H2*    U  72           H2*        U  72  18.446   7.009   4.265
  775   2HO*    U  72          2HO*        U  72  20.430   7.085   6.311
  776    H1*    U  72           H1*        U  72  19.457   4.886   5.733
  777    H3     U  72           H3         U  72  17.301   3.007   2.190
  778    H5     U  72           H5         U  72  14.212   4.180   4.809
  779    H6     U  72           H6         U  72  15.882   5.285   6.179
  780   1H5*    U  73          1H5*        U  73  20.378   9.735   4.494
  781   2H5*    U  73          2H5*        U  73  19.984  11.409   4.052
  782    H4*    U  73           H4*        U  73  21.051  10.243   2.182
  783    H3*    U  73           H3*        U  73  18.113  10.880   1.781
  784    H2*    U  73           H2*        U  73  18.300  10.011  -0.406
  785   2HO*    U  73          2HO*        U  73  20.633   9.338  -1.005
  786    H1*    U  73           H1*        U  73  19.944   7.885   0.239
  787    H3     U  73           H3         U  73  15.919   6.179  -1.060
  788    H5     U  73           H5         U  73  15.350   7.375   2.947
  789    H6     U  73           H6         U  73  17.541   8.418   2.873
  790   1H5*    C  74          1H5*        C  74  20.317  11.702  -1.508
  791   2H5*    C  74          2H5*        C  74  19.999  13.295  -2.218
  792    H4*    C  74           H4*        C  74  19.935  11.613  -3.957
  793    H3*    C  74           H3*        C  74  17.170  12.655  -3.254
  794    H2*    C  74           H2*        C  74  16.355  11.339  -5.056
  795   2HO*    C  74          2HO*        C  74  17.766  10.404  -6.591
  796    H1*    C  74           H1*        C  74  17.998   9.151  -4.584
  797   1H4     C  74          1H4         C  74  12.485   7.581  -1.846
  798   2H4     C  74          2H4         C  74  12.811   8.660  -0.509
  799    H5     C  74           H5         C  74  14.717  10.118  -0.426
  800    H6     C  74           H6         C  74  16.732  10.862  -1.604
  801   1H5*    U  75          1H5*        U  75  17.932  13.548  -7.079
  802   2H5*    U  75          2H5*        U  75  17.253  14.961  -7.913
  803    H4*    U  75           H4*        U  75  16.360  12.905  -8.870
  804    H3*    U  75           H3*        U  75  14.374  14.549  -7.278
  805    H2*    U  75           H2*        U  75  12.711  12.972  -7.763
  806   2HO*    U  75          2HO*        U  75  14.121  11.481  -9.628
  807    H1*    U  75           H1*        U  75  14.363  10.702  -7.795
  808    H3     U  75           H3         U  75  11.397   9.799  -4.518
  809    H5     U  75           H5         U  75  13.832  12.814  -2.872
  810    H6     U  75           H6         U  75  14.909  13.032  -5.039
  811   1H5*    U  76          1H5*        U  76  13.016  13.900 -11.257
  812   2H5*    U  76          2H5*        U  76  12.389  15.346 -12.072
  813    H4*    U  76           H4*        U  76  10.837  13.509 -12.383
  814    H3*    U  76           H3*        U  76   9.924  15.761 -10.610
  815    H2*    U  76           H2*        U  76   7.999  14.628  -9.957
  816   2HO*    U  76          2HO*        U  76   8.295  13.384 -12.458
  817    H1*    U  76           H1*        U  76   8.931  12.000 -10.085
  818    H3     U  76           H3         U  76   7.879  12.412  -5.714
  819    H5     U  76           H5         U  76  11.267  14.873  -6.170
  820    H6     U  76           H6         U  76  11.165  14.464  -8.559
  821   1H5*    C  77          1H5*        C  77   5.670  17.488 -11.547
  822   2H5*    C  77          2H5*        C  77   6.737  16.840 -10.284
  823    H4*    C  77           H4*        C  77   4.547  15.118 -11.426
  824    H3*    C  77           H3*        C  77   4.153  17.434  -9.553
  825    H2*    C  77           H2*        C  77   2.991  16.156  -7.994
  826   2HO*    C  77          2HO*        C  77   2.248  14.728 -10.271
  827    H1*    C  77           H1*        C  77   4.199  13.676  -8.413
  828   1H4     C  77          1H4         C  77   6.545  16.051  -2.958
  829   2H4     C  77          2H4         C  77   7.946  16.585  -3.856
  830    H5     C  77           H5         C  77   8.094  16.486  -6.253
  831    H6     C  77           H6         C  77   6.946  15.820  -8.311
  832   1H5*    C  78          1H5*        C  78   0.417  19.588  -9.325
  833   2H5*    C  78          2H5*        C  78   1.471  19.686  -7.899
  834    H4*    C  78           H4*        C  78  -1.083  18.152  -8.293
  835    H3*    C  78           H3*        C  78  -0.039  20.168  -6.369
  836    H2*    C  78           H2*        C  78  -0.680  19.037  -4.437
  837   2HO*    C  78          2HO*        C  78  -2.322  17.419  -4.476
  838    H1*    C  78           H1*        C  78  -0.359  16.430  -5.193
  839   1H4     C  78          1H4         C  78   5.030  18.151  -2.192
  840   2H4     C  78          2H4         C  78   5.766  18.404  -3.758
  841    H5     C  78           H5         C  78   4.542  18.297  -5.824
  842    H6     C  78           H6         C  78   2.347  17.920  -6.843
  843   1H5*    U  79          1H5*        U  79  -4.365  20.386  -5.531
  844   2H5*    U  79          2H5*        U  79  -4.848  22.089  -5.397
  845    H4*    U  79           H4*        U  79  -5.202  20.660  -3.325
  846    H3*    U  79           H3*        U  79  -3.723  23.266  -3.342
  847    H2*    U  79           H2*        U  79  -2.815  22.966  -1.244
  848   2HO*    U  79          2HO*        U  79  -4.662  22.904  -0.070
  849    H1*    U  79           H1*        U  79  -3.064  20.131  -1.014
  850    H3     U  79           H3         U  79   1.206  21.121   0.274
  851    H5     U  79           H5         U  79   1.229  21.359  -3.937
  852    H6     U  79           H6         U  79  -1.187  21.145  -3.898
  853   1H5*    A  80          1H5*        A  80  -5.237  26.347  -0.336
  854   2H5*    A  80          2H5*        A  80  -3.522  26.408  -0.791
  855    H4*    A  80           H4*        A  80  -4.714  25.040   1.643
  856    H3*    A  80           H3*        A  80  -4.043  27.700   1.450
  857    H2*    A  80           H2*        A  80  -1.753  27.536   1.019
  858   2HO*    A  80          2HO*        A  80  -1.677  26.835   3.775
  859    H1*    A  80           H1*        A  80  -1.298  25.072   2.628
  860    H8     A  80           H8         A  80  -1.414  25.913  -1.181
  861   1H6     A  80          1H6         A  80   4.524  24.220  -1.176
  862   2H6     A  80          2H6         A  80   3.189  24.780  -2.158
  863    H2     A  80           H2         A  80   2.997  23.917   3.040
  864   1H5*    A  81          1H5*        A  81  -6.166  26.176   5.607
  865   2H5*    A  81          2H5*        A  81  -6.411  27.717   6.452
  866    H4*    A  81           H4*        A  81  -6.234  26.136   8.179
  867    H3*    A  81           H3*        A  81  -3.702  27.672   7.754
  868    H2*    A  81           H2*        A  81  -2.398  26.265   9.079
  869   2HO*    A  81          2HO*        A  81  -4.855  25.741  10.338
  870    H1*    A  81           H1*        A  81  -3.602  23.841   8.592
  871    H8     A  81           H8         A  81  -3.415  25.254   5.190
  872   1H6     A  81          1H6         A  81   2.615  23.919   5.127
  873   2H6     A  81          2H6         A  81   1.237  24.392   4.159
  874    H2     A  81           H2         A  81   1.150  23.499   9.354
  875   1H5*    G  82          1H5*        G  82  -3.157  28.147  12.148
  876   2H5*    G  82          2H5*        G  82  -2.584  29.825  12.080
  877    H4*    G  82           H4*        G  82  -0.943  27.887  12.758
  878    H3*    G  82           H3*        G  82  -0.372  30.252  10.991
  879    H2*    G  82           H2*        G  82   1.702  29.409  10.330
  880   2HO*    G  82          2HO*        G  82   2.402  29.009  12.501
  881    H1*    G  82           H1*        G  82   1.131  26.695  10.359
  882    H8     G  82           H8         G  82  -1.724  28.287   8.567
  883    H1     G  82           H1         G  82   3.549  27.990   4.947
  884   1H2     G  82          1H2         G  82   5.304  27.463   6.202
  885   2H2     G  82          2H2         G  82   5.175  27.187   7.925
  886   1H5*    U  83          1H5*        U  83   3.109  30.637  13.250
  887   2H5*    U  83          2H5*        U  83   3.131  32.268  13.948
  888    H4*    U  83           H4*        U  83   5.123  31.968  12.618
  889    H3*    U  83           H3*        U  83   3.055  33.837  11.479
  890    H2*    U  83           H2*        U  83   4.235  34.088   9.481
  891   2HO*    U  83          2HO*        U  83   6.601  32.886  10.030
  892    H1*    U  83           H1*        U  83   5.370  31.556   9.300
  893    H3     U  83           H3         U  83   2.701  31.713   5.652
  894    H5     U  83           H5         U  83   0.005  31.396   8.877
  895    H6     U  83           H6         U  83   1.887  31.633  10.390
  896   1H5*    C  84          1H5*        C  84   6.649  35.039  10.917
  897   2H5*    C  84          2H5*        C  84   7.259  36.631  11.415
  898    H4*    C  84           H4*        C  84   7.953  36.280   9.151
  899    H3*    C  84           H3*        C  84   5.655  38.216   9.432
  900    H2*    C  84           H2*        C  84   5.450  38.406   7.118
  901   2HO*    C  84          2HO*        C  84   7.208  37.805   5.711
  902    H1*    C  84           H1*        C  84   6.332  35.832   6.407
  903   1H4     C  84          1H4         C  84   0.070  35.709   5.346
  904   2H4     C  84          2H4         C  84  -0.261  35.775   7.063
  905    H5     C  84           H5         C  84   1.463  35.982   8.733
  906    H6     C  84           H6         C  84   3.874  36.211   9.115
  907   1H5*    C  85          1H5*        C  85   8.606  39.076   6.963
  908   2H5*    C  85          2H5*        C  85   9.552  40.575   7.051
  909    H4*    C  85           H4*        C  85   9.213  40.167   4.741
  910    H3*    C  85           H3*        C  85   7.320  42.265   5.806
  911    H2*    C  85           H2*        C  85   6.279  42.441   3.709
  912   2HO*    C  85          2HO*        C  85   7.275  41.495   1.815
  913    H1*    C  85           H1*        C  85   6.394  39.774   2.983
  914   1H4     C  85          1H4         C  85   0.493  40.515   5.249
  915   2H4     C  85          2H4         C  85   1.102  40.637   6.884
  916    H5     C  85           H5         C  85   3.444  40.620   7.424
  917    H6     C  85           H6         C  85   5.717  40.501   6.517
  918   1H5*    U  86          1H5*        U  86   8.202  43.104   2.070
  919   2H5*    U  86          2H5*        U  86   8.803  44.755   1.823
  920    H4*    U  86           H4*        U  86   6.953  44.252   0.294
  921    H3*    U  86           H3*        U  86   6.498  46.332   2.416
  922    H2*    U  86           H2*        U  86   4.245  46.394   2.028
  923   2HO*    U  86          2HO*        U  86   3.966  45.635  -0.532
  924    H1*    U  86           H1*        U  86   4.129  43.974   0.382
  925    H3     U  86           H3         U  86   0.167  43.644   2.494
  926    H5     U  86           H5         U  86   2.984  43.465   5.628
  927    H6     U  86           H6         U  86   4.718  43.945   3.998
  928    H3T    U  86           H3T        U  86   6.351  46.665  -0.372
  929   1HN1  NCO 101          1HN1      NCO 101 -10.351  10.292   6.000
  930   2HN1  NCO 101          2HN1      NCO 101 -10.221  11.905   5.752
  931   3HN1  NCO 101          3HN1      NCO 101 -11.263  11.331   6.877
  932   1HN2  NCO 101          1HN2      NCO 101 -10.743  12.993   4.262
  933   2HN2  NCO 101          2HN2      NCO 101 -11.584  12.719   2.885
  934   3HN2  NCO 101          3HN2      NCO 101 -12.291  13.506   4.135
  935   1HN3  NCO 101          1HN3      NCO 101 -13.028  12.843   6.171
  936   2HN3  NCO 101          2HN3      NCO 101 -13.730  11.427   6.597
  937   3HN3  NCO 101          3HN3      NCO 101 -14.318  12.286   5.333
  938   1HN4  NCO 101          1HN4      NCO 101 -12.218   9.027   6.029
  939   2HN4  NCO 101          2HN4      NCO 101 -12.980   8.684   4.620
  940   3HN4  NCO 101          3HN4      NCO 101 -13.773   9.489   5.804
  941   1HN5  NCO 101          1HN5      NCO 101 -11.533   9.812   2.598
  942   2HN5  NCO 101          2HN5      NCO 101 -10.677   9.301   3.897
  943   3HN5  NCO 101          3HN5      NCO 101 -10.289  10.712   3.164
  944   1HN6  NCO 101          1HN6      NCO 101 -13.543  10.215   2.643
  945   2HN6  NCO 101          2HN6      NCO 101 -13.662  11.845   2.698
  946   3HN6  NCO 101          3HN6      NCO 101 -14.586  10.925   3.688
  947   1HN1  NCO 102          1HN1      NCO 102  -6.912 -13.669  -2.448
  948   2HN1  NCO 102          2HN1      NCO 102  -5.973 -15.009  -2.511
  949   3HN1  NCO 102          3HN1      NCO 102  -6.721 -14.470  -3.863
  950   1HN2  NCO 102          1HN2      NCO 102  -8.458 -17.616  -4.041
  951   2HN2  NCO 102          2HN2      NCO 102  -7.019 -17.627  -3.257
  952   3HN2  NCO 102          3HN2      NCO 102  -7.269 -16.588  -4.498
  953   1HN3  NCO 102          1HN3      NCO 102  -9.504 -13.855  -3.684
  954   2HN3  NCO 102          2HN3      NCO 102  -8.838 -14.894  -4.760
  955   3HN3  NCO 102          3HN3      NCO 102 -10.254 -15.271  -4.026
  956   1HN4  NCO 102          1HN4      NCO 102  -8.572 -13.465  -1.399
  957   2HN4  NCO 102          2HN4      NCO 102 -10.015 -14.234  -1.302
  958   3HN4  NCO 102          3HN4      NCO 102  -8.809 -14.620  -0.264
  959   1HN5  NCO 102          1HN5      NCO 102  -7.094 -15.853  -0.329
  960   2HN5  NCO 102          2HN5      NCO 102  -7.936 -17.238  -0.554
  961   3HN5  NCO 102          3HN5      NCO 102  -6.544 -16.983  -1.380
  962   1HN6  NCO 102          1HN6      NCO 102  -9.995 -17.559  -2.766
  963   2HN6  NCO 102          2HN6      NCO 102 -10.768 -16.278  -2.100
  964   3HN6  NCO 102          3HN6      NCO 102  -9.834 -17.247  -1.166
  965   1HN1  NCO 103          1HN1      NCO 103  11.806 -11.708   3.127
  966   2HN1  NCO 103          2HN1      NCO 103  13.252 -11.863   3.882
  967   3HN1  NCO 103          3HN1      NCO 103  12.322 -10.540   4.151
  968   1HN2  NCO 103          1HN2      NCO 103  11.947 -10.971   0.138
  969   2HN2  NCO 103          2HN2      NCO 103  13.248 -11.967   0.139
  970   3HN2  NCO 103          3HN2      NCO 103  12.051 -12.177   1.239
  971   1HN3  NCO 103          1HN3      NCO 103  14.919 -12.244   1.360
  972   2HN3  NCO 103          2HN3      NCO 103  15.866 -11.071   1.997
  973   3HN3  NCO 103          3HN3      NCO 103  14.969 -12.023   2.981
  974   1HN4  NCO 103          1HN4      NCO 103  15.204  -9.567   3.615
  975   2HN4  NCO 103          2HN4      NCO 103  13.772  -8.848   3.959
  976   3HN4  NCO 103          3HN4      NCO 103  14.709  -8.270   2.747
  977   1HN5  NCO 103          1HN5      NCO 103  11.454  -9.234   1.040
  978   2HN5  NCO 103          2HN5      NCO 103  12.348  -8.099   1.812
  979   3HN5  NCO 103          3HN5      NCO 103  11.420  -9.138   2.674
  980   1HN6  NCO 103          1HN6      NCO 103  15.305  -9.101   0.725
  981   2HN6  NCO 103          2HN6      NCO 103  13.850  -8.613   0.155
  982   3HN6  NCO 103          3HN6      NCO 103  14.475 -10.052  -0.316
  983   1HN1  NCO 104          1HN1      NCO 104   9.379  18.184   2.009
  984   2HN1  NCO 104          2HN1      NCO 104   8.315  17.102   2.627
  985   3HN1  NCO 104          3HN1      NCO 104   9.924  16.865   2.811
  986   1HN2  NCO 104          1HN2      NCO 104   9.999  18.364  -0.489
  987   2HN2  NCO 104          2HN2      NCO 104  11.184  17.778   0.477
  988   3HN2  NCO 104          3HN2      NCO 104  10.979  17.166  -1.028
  989   1HN3  NCO 104          1HN3      NCO 104   6.889  16.917   0.249
  990   2HN3  NCO 104          2HN3      NCO 104   7.868  18.220   0.096
  991   3HN3  NCO 104          3HN3      NCO 104   7.682  17.184  -1.158
  992   1HN4  NCO 104          1HN4      NCO 104   7.075  15.162   1.038
  993   2HN4  NCO 104          2HN4      NCO 104   8.194  13.985   0.831
  994   3HN4  NCO 104          3HN4      NCO 104   8.144  14.830   2.233
  995   1HN5  NCO 104          1HN5      NCO 104  10.439  14.275   1.527
  996   2HN5  NCO 104          2HN5      NCO 104  11.435  15.001   0.447
  997   3HN5  NCO 104          3HN5      NCO 104  11.213  15.660   1.930
  998   1HN6  NCO 104          1HN6      NCO 104   9.427  14.245  -1.034
  999   2HN6  NCO 104          2HN6      NCO 104   8.468  15.383  -1.718
 1000   3HN6  NCO 104          3HN6      NCO 104  10.096  15.554  -1.755
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   4.264 -47.389  -6.330
    2   2H5*    G   1          2H5*        G   1   5.275 -45.945  -6.535
    3    H4*    G   1           H4*        G   1   4.369 -46.319  -8.670
    4    H3*    G   1           H3*        G   1   2.935 -44.157  -7.175
    5    H2*    G   1           H2*        G   1   1.152 -44.041  -8.691
    6   2HO*    G   1          2HO*        G   1   3.065 -45.026 -10.456
    7    H1*    G   1           H1*        G   1   0.831 -46.677  -9.265
    8    H8     G   1           H8         G   1   1.756 -46.595  -5.626
    9    H1     G   1           H1         G   1  -4.325 -44.870  -6.652
   10   1H2     G   1          1H2         G   1  -4.671 -44.562  -8.822
   11   2H2     G   1          2H2         G   1  -3.410 -44.776 -10.014
   12    H5T    G   1           H5T        G   1   3.685 -46.130  -4.681
   13   1H5*    G   2          1H5*        G   2   2.318 -43.143 -10.824
   14   2H5*    G   2          2H5*        G   2   2.816 -41.491 -11.239
   15    H4*    G   2           H4*        G   2   0.440 -41.900 -11.760
   16    H3*    G   2           H3*        G   2   1.106 -39.861  -9.638
   17    H2*    G   2           H2*        G   2  -1.140 -39.556  -9.133
   18   2HO*    G   2          2HO*        G   2  -2.751 -40.313 -10.815
   19    H1*    G   2           H1*        G   2  -2.101 -42.102  -9.957
   20    H8     G   2           H8         G   2   0.568 -42.433  -7.319
   21    H1     G   2           H1         G   2  -5.195 -41.012  -4.909
   22   1H2     G   2          1H2         G   2  -6.579 -40.445  -6.536
   23   2H2     G   2          2H2         G   2  -6.090 -40.410  -8.216
   24   1H5*    G   3          1H5*        G   3  -1.538 -38.534 -12.330
   25   2H5*    G   3          2H5*        G   3  -1.282 -37.036 -13.247
   26    H4*    G   3           H4*        G   3  -3.532 -36.968 -12.480
   27    H3*    G   3           H3*        G   3  -1.669 -35.195 -10.920
   28    H2*    G   3           H2*        G   3  -3.303 -34.671  -9.338
   29   2HO*    G   3          2HO*        G   3  -5.536 -35.740 -10.473
   30    H1*    G   3           H1*        G   3  -4.688 -37.074  -9.294
   31    H8     G   3           H8         G   3  -0.860 -37.373  -9.187
   32    H1     G   3           H1         G   3  -3.642 -36.766  -3.453
   33   1H2     G   3          1H2         G   3  -5.801 -36.324  -3.705
   34   2H2     G   3          2H2         G   3  -6.555 -36.176  -5.275
   35   1H5*    A   4          1H5*        A   4  -5.221 -33.648 -11.417
   36   2H5*    A   4          2H5*        A   4  -5.411 -32.192 -12.416
   37    H4*    A   4           H4*        A   4  -6.888 -31.857 -10.619
   38    H3*    A   4           H3*        A   4  -4.297 -30.383 -10.198
   39    H2*    A   4           H2*        A   4  -4.877 -29.772  -8.023
   40   2HO*    A   4          2HO*        A   4  -7.510 -30.507  -7.956
   41    H1*    A   4           H1*        A   4  -6.390 -31.997  -7.311
   42    H8     A   4           H8         A   4  -2.939 -32.479  -8.996
   43   1H6     A   4          1H6         A   4  -0.753 -33.069  -3.254
   44   2H6     A   4          2H6         A   4  -0.366 -33.150  -4.957
   45    H2     A   4           H2         A   4  -5.106 -31.978  -2.966
   46   1H5*    U   5          1H5*        U   5  -7.463 -28.106  -8.644
   47   2H5*    U   5          2H5*        U   5  -7.224 -26.372  -8.943
   48    H4*    U   5           H4*        U   5  -7.429 -27.026  -6.512
   49    H3*    U   5           H3*        U   5  -5.071 -25.503  -7.589
   50    H2*    U   5           H2*        U   5  -3.882 -25.683  -5.604
   51   2HO*    U   5          2HO*        U   5  -5.345 -24.790  -4.212
   52    H1*    U   5           H1*        U   5  -4.967 -28.089  -4.626
   53    H3     U   5           H3         U   5  -0.629 -29.255  -4.794
   54    H5     U   5           H5         U   5  -1.637 -28.642  -8.840
   55    H6     U   5           H6         U   5  -3.814 -27.858  -8.112
   56   1H5*    A   6          1H5*        A   6  -7.945 -20.397  -5.932
   57   2H5*    A   6          2H5*        A   6  -6.243 -20.790  -5.613
   58    H4*    A   6           H4*        A   6  -8.364 -21.827  -3.755
   59    H3*    A   6           H3*        A   6  -8.312 -19.101  -4.176
   60    H2*    A   6           H2*        A   6  -6.129 -18.617  -3.496
   61   2HO*    A   6          2HO*        A   6  -6.930 -17.529  -1.848
   62    H1*    A   6           H1*        A   6  -6.012 -20.732  -1.395
   63    H8     A   6           H8         A   6  -4.355 -19.977  -4.845
   64   1H6     A   6          1H6         A   6   0.978 -20.310  -1.751
   65   2H6     A   6          2H6         A   6   0.242 -20.049  -3.314
   66    H2     A   6           H2         A   6  -2.363 -20.997   1.174
   67   1H5*    U   7          1H5*        U   7  -9.144 -19.511   0.986
   68   2H5*    U   7          2H5*        U   7  -7.688 -18.497   0.931
   69    H4*    U   7           H4*        U   7  -8.297 -20.186   2.971
   70    H3*    U   7           H3*        U   7  -5.870 -18.816   2.107
   71    H2*    U   7           H2*        U   7  -4.481 -20.649   2.092
   72   2HO*    U   7          2HO*        U   7  -5.238 -20.401   4.778
   73    H1*    U   7           H1*        U   7  -6.381 -22.434   3.557
   74    H3     U   7           H3         U   7  -4.689 -26.194   1.853
   75    H5     U   7           H5         U   7  -3.779 -23.360  -1.130
   76    H6     U   7           H6         U   7  -4.887 -21.678   0.222
   77   1H5*    G   8          1H5*        G   8  -3.005 -19.663   3.513
   78   2H5*    G   8          2H5*        G   8  -2.843 -18.757   5.032
   79    H4*    G   8           H4*        G   8  -0.990 -17.920   4.033
   80    H3*    G   8           H3*        G   8  -3.235 -16.281   2.881
   81    H2*    G   8           H2*        G   8  -1.872 -15.370   1.233
   82   2HO*    G   8          2HO*        G   8   0.452 -15.389   1.462
   83    H1*    G   8           H1*        G   8  -0.097 -17.501   0.873
   84    H8     G   8           H8         G   8  -3.855 -18.293   0.801
   85    H1     G   8           H1         G   8  -1.385 -16.659  -4.869
   86   1H2     G   8          1H2         G   8   0.715 -16.002  -4.621
   87   2H2     G   8          2H2         G   8   1.509 -15.963  -3.065
   88   1H5*    G   9          1H5*        G   9  -2.332 -11.727   2.867
   89   2H5*    G   9          2H5*        G   9  -3.565 -12.270   1.711
   90    H4*    G   9           H4*        G   9  -0.583 -12.083   1.382
   91    H3*    G   9           H3*        G   9  -3.003 -11.115  -0.108
   92    H2*    G   9           H2*        G   9  -2.055 -11.547  -2.203
   93   2HO*    G   9          2HO*        G   9   0.332 -11.190  -0.802
   94    H1*    G   9           H1*        G   9  -0.662 -13.838  -1.630
   95    H8     G   9           H8         G   9  -3.672 -14.787   0.106
   96    H1     G   9           H1         G   9  -4.878 -14.235  -6.160
   97   1H2     G   9          1H2         G   9  -3.228 -13.118  -7.151
   98   2H2     G   9          2H2         G   9  -1.837 -12.520  -6.276
   99   1H5*    A  10          1H5*        A  10  -0.308  -9.552  -2.340
  100   2H5*    A  10          2H5*        A  10   0.059  -7.909  -1.780
  101    H4*    A  10           H4*        A  10   0.154  -7.548  -4.038
  102    H3*    A  10           H3*        A  10  -2.745  -7.192  -3.279
  103    H2*    A  10           H2*        A  10  -3.377  -7.026  -5.531
  104   2HO*    A  10          2HO*        A  10  -1.339  -6.940  -7.063
  105    H1*    A  10           H1*        A  10  -1.608  -8.853  -6.606
  106    H8     A  10           H8         A  10  -3.194 -10.077  -3.355
  107   1H6     A  10          1H6         A  10  -7.806 -12.223  -6.849
  108   2H6     A  10          2H6         A  10  -7.121 -12.177  -5.240
  109    H2     A  10           H2         A  10  -5.107  -9.773  -9.479
  110   1H5*    A  11          1H5*        A  11  -1.533  -4.238  -6.079
  111   2H5*    A  11          2H5*        A  11  -2.231  -2.638  -5.762
  112    H4*    A  11           H4*        A  11  -2.648  -3.499  -8.078
  113    H3*    A  11           H3*        A  11  -5.007  -2.906  -6.273
  114    H2*    A  11           H2*        A  11  -6.463  -3.509  -8.028
  115   2HO*    A  11          2HO*        A  11  -4.199  -3.050  -9.658
  116    H1*    A  11           H1*        A  11  -4.978  -5.632  -9.001
  117    H8     A  11           H8         A  11  -5.052  -5.670  -5.197
  118   1H6     A  11          1H6         A  11 -10.426  -8.685  -5.708
  119   2H6     A  11          2H6         A  11  -9.170  -8.165  -4.605
  120    H2     A  11           H2         A  11  -9.249  -7.241  -9.796
  121   1H5*    G  12          1H5*        G  12  -5.871   0.102  -9.425
  122   2H5*    G  12          2H5*        G  12  -6.468   1.520  -8.541
  123    H4*    G  12           H4*        G  12  -8.118   0.564 -10.159
  124    H3*    G  12           H3*        G  12  -8.826   0.618  -7.214
  125    H2*    G  12           H2*        G  12 -10.923  -0.323  -7.733
  126   2HO*    G  12          2HO*        G  12 -10.508   0.094 -10.508
  127    H1*    G  12           H1*        G  12 -10.063  -1.986  -9.793
  128    H8     G  12           H8         G  12  -7.740  -2.229  -6.803
  129    H1     G  12           H1         G  12 -13.090  -5.688  -6.175
  130   1H2     G  12          1H2         G  12 -14.511  -5.184  -7.807
  131   2H2     G  12          2H2         G  12 -14.143  -4.000  -9.040
  132   1H5*    A  13          1H5*        A  13 -11.933   1.991  -9.068
  133   2H5*    A  13          2H5*        A  13 -12.420   3.660  -8.712
  134    H4*    A  13           H4*        A  13 -14.422   2.444  -8.580
  135    H3*    A  13           H3*        A  13 -13.267   2.826  -5.813
  136    H2*    A  13           H2*        A  13 -14.986   1.530  -4.887
  137   2HO*    A  13          2HO*        A  13 -16.378   2.316  -7.201
  138    H1*    A  13           H1*        A  13 -15.311  -0.270  -6.988
  139    H8     A  13           H8         A  13 -11.702   0.413  -5.825
  140   1H6     A  13          1H6         A  13 -12.488  -4.436  -2.079
  141   2H6     A  13          2H6         A  13 -11.342  -3.268  -2.695
  142    H2     A  13           H2         A  13 -16.438  -3.533  -4.021
  143   1H5*    A  14          1H5*        A  14 -17.772   3.928  -6.230
  144   2H5*    A  14          2H5*        A  14 -17.951   5.390  -5.240
  145    H4*    A  14           H4*        A  14 -19.758   3.746  -4.836
  146    H3*    A  14           H3*        A  14 -17.892   4.467  -2.580
  147    H2*    A  14           H2*        A  14 -18.909   2.910  -1.147
  148   2HO*    A  14          2HO*        A  14 -21.019   3.017  -1.223
  149    H1*    A  14           H1*        A  14 -19.379   0.903  -2.968
  150    H8     A  14           H8         A  14 -15.986   2.683  -3.321
  151   1H6     A  14          1H6         A  14 -13.801  -1.648   0.491
  152   2H6     A  14          2H6         A  14 -13.389  -0.297  -0.538
  153    H2     A  14           H2         A  14 -18.265  -2.146   0.253
  154   1H5*    C  15          1H5*        C  15 -21.920   4.759  -0.774
  155   2H5*    C  15          2H5*        C  15 -21.912   6.277   0.146
  156    H4*    C  15           H4*        C  15 -22.592   4.408   1.568
  157    H3*    C  15           H3*        C  15 -19.912   5.661   2.195
  158    H2*    C  15           H2*        C  15 -19.590   4.126   3.941
  159   2HO*    C  15          2HO*        C  15 -21.407   2.845   4.719
  160    H1*    C  15           H1*        C  15 -20.848   1.932   2.766
  161   1H4     C  15          1H4         C  15 -14.661   0.725   1.980
  162   2H4     C  15          2H4         C  15 -14.512   2.032   0.828
  163    H5     C  15           H5         C  15 -16.326   3.511   0.266
  164    H6     C  15           H6         C  15 -18.675   4.067   0.699
  165   1H5*    C  16          1H5*        C  16 -21.543   5.473   5.707
  166   2H5*    C  16          2H5*        C  16 -21.429   6.914   6.738
  167    H4*    C  16           H4*        C  16 -20.302   5.144   7.882
  168    H3*    C  16           H3*        C  16 -18.414   7.122   6.599
  169    H2*    C  16           H2*        C  16 -16.570   5.850   7.248
  170   2HO*    C  16          2HO*        C  16 -16.479   5.021   9.178
  171    H1*    C  16           H1*        C  16 -17.794   3.312   7.199
  172   1H4     C  16          1H4         C  16 -13.939   3.220   2.162
  173   2H4     C  16          2H4         C  16 -14.849   4.495   1.379
  174    H5     C  16           H5         C  16 -16.736   5.593   2.407
  175    H6     C  16           H6         C  16 -18.139   5.719   4.414
  176   1H5*    G  17          1H5*        G  17 -17.924   6.118  10.932
  177   2H5*    G  17          2H5*        G  17 -17.826   7.630  11.856
  178    H4*    G  17           H4*        G  17 -16.351   6.121  12.936
  179    H3*    G  17           H3*        G  17 -14.887   8.093  11.187
  180    H2*    G  17           H2*        G  17 -12.832   7.042  11.610
  181   2HO*    G  17          2HO*        G  17 -12.750   5.385  13.346
  182    H1*    G  17           H1*        G  17 -13.702   4.425  11.666
  183    H8     G  17           H8         G  17 -15.277   6.506   8.873
  184    H1     G  17           H1         G  17  -9.636   3.916   7.323
  185   1H2     G  17          1H2         G  17  -8.697   3.001   9.120
  186   2H2     G  17          2H2         G  17  -9.456   3.033  10.696
  187   1H5*    G  18          1H5*        G  18 -12.431   7.289  14.365
  188   2H5*    G  18          2H5*        G  18 -11.986   8.805  15.174
  189    H4*    G  18           H4*        G  18 -10.000   7.458  14.653
  190    H3*    G  18           H3*        G  18 -10.312  10.073  13.173
  191    H2*    G  18           H2*        G  18  -8.403   9.637  11.917
  192   2HO*    G  18          2HO*        G  18  -6.782   8.150  12.697
  193    H1*    G  18           H1*        G  18  -8.491   6.798  12.040
  194    H8     G  18           H8         G  18 -11.574   8.497  10.569
  195    H1     G  18           H1         G  18  -6.924   7.393   6.311
  196   1H2     G  18          1H2         G  18  -5.085   6.713   7.352
  197   2H2     G  18          2H2         G  18  -5.001   6.534   9.091
  198   1H5*    G  19          1H5*        G  19  -6.368   9.347  14.247
  199   2H5*    G  19          2H5*        G  19  -5.733  10.665  15.254
  200    H4*    G  19           H4*        G  19  -4.074  10.102  13.598
  201    H3*    G  19           H3*        G  19  -5.487  12.727  13.167
  202    H2*    G  19           H2*        G  19  -4.502  13.034  11.090
  203   2HO*    G  19          2HO*        G  19  -2.484  11.341  10.922
  204    H1*    G  19           H1*        G  19  -4.012  10.320  10.426
  205    H8     G  19           H8         G  19  -7.576  11.561  11.247
  206    H1     G  19           H1         G  19  -6.084  11.555   5.022
  207   1H2     G  19          1H2         G  19  -3.940  11.051   4.755
  208   2H2     G  19          2H2         G  19  -2.879  10.718   6.104
  209   1H5*    G  20          1H5*        G  20  -3.791  16.671  13.805
  210   2H5*    G  20          2H5*        G  20  -5.340  16.565  12.944
  211    H4*    G  20           H4*        G  20  -2.558  16.459  11.908
  212    H3*    G  20           H3*        G  20  -5.205  17.558  11.000
  213    H2*    G  20           H2*        G  20  -4.722  17.176   8.730
  214   2HO*    G  20          2HO*        G  20  -2.769  17.543   8.059
  215    H1*    G  20           H1*        G  20  -3.551  14.737   8.936
  216    H8     G  20           H8         G  20  -6.114  14.449  11.581
  217    H1     G  20           H1         G  20  -8.804  14.521   5.776
  218   1H2     G  20          1H2         G  20  -7.318  15.129   4.256
  219   2H2     G  20          2H2         G  20  -5.662  15.518   4.663
  220   1H5*    A  21          1H5*        A  21  -5.612  22.118  11.292
  221   2H5*    A  21          2H5*        A  21  -6.885  20.885  11.213
  222    H4*    A  21           H4*        A  21  -7.381  22.656   9.634
  223    H3*    A  21           H3*        A  21  -6.668  19.967   8.530
  224    H2*    A  21           H2*        A  21  -6.452  20.725   6.323
  225   2HO*    A  21          2HO*        A  21  -7.446  22.531   5.553
  226    H1*    A  21           H1*        A  21  -5.285  23.143   6.745
  227    H8     A  21           H8         A  21  -4.234  20.244   9.088
  228   1H6     A  21          1H6         A  21   0.493  19.452   5.201
  229   2H6     A  21          2H6         A  21  -0.229  18.944   6.712
  230    H2     A  21           H2         A  21  -2.199  22.614   3.477
  231   1H5*    A  22          1H5*        A  22  -9.700  18.505   5.203
  232   2H5*    A  22          2H5*        A  22  -8.294  17.449   5.446
  233    H4*    A  22           H4*        A  22  -8.568  19.942   3.835
  234    H3*    A  22           H3*        A  22  -7.275  17.258   3.522
  235    H2*    A  22           H2*        A  22  -5.373  18.092   2.484
  236   2HO*    A  22          2HO*        A  22  -7.110  20.157   1.668
  237    H1*    A  22           H1*        A  22  -5.218  20.616   3.636
  238    H8     A  22           H8         A  22  -5.462  18.827   6.720
  239   1H6     A  22          1H6         A  22   0.155  16.420   5.845
  240   2H6     A  22          2H6         A  22  -1.122  16.711   7.005
  241    H2     A  22           H2         A  22  -1.264  18.084   1.914
  242   1H5*    A  23          1H5*        A  23  -7.758  17.306  -1.746
  243   2H5*    A  23          2H5*        A  23  -7.848  15.628  -1.173
  244    H4*    A  23           H4*        A  23  -5.826  16.671  -2.709
  245    H3*    A  23           H3*        A  23  -6.049  14.245  -0.971
  246    H2*    A  23           H2*        A  23  -3.735  13.938  -0.786
  247   2HO*    A  23          2HO*        A  23  -2.266  14.846  -2.251
  248    H1*    A  23           H1*        A  23  -2.896  16.524  -0.663
  249    H8     A  23           H8         A  23  -6.179  15.925   1.221
  250   1H6     A  23          1H6         A  23  -2.662  14.723   6.156
  251   2H6     A  23          2H6         A  23  -4.300  14.986   5.591
  252    H2     A  23           H2         A  23   0.052  15.145   2.582
  253   1H5*    C  24          1H5*        C  24  -4.027  12.608  -3.601
  254   2H5*    C  24          2H5*        C  24  -4.381  10.940  -4.091
  255    H4*    C  24           H4*        C  24  -2.428  11.142  -2.548
  256    H3*    C  24           H3*        C  24  -4.838   9.510  -1.755
  257    H2*    C  24           H2*        C  24  -3.932   9.071   0.358
  258   2HO*    C  24          2HO*        C  24  -1.443   9.734  -0.843
  259    H1*    C  24           H1*        C  24  -2.610  11.482   0.765
  260   1H4     C  24          1H4         C  24  -7.932  12.042   4.202
  261   2H4     C  24          2H4         C  24  -8.878  12.285   2.750
  262    H5     C  24           H5         C  24  -7.953  12.137   0.531
  263    H6     C  24           H6         C  24  -5.920  11.733  -0.778
  264   1H5*    U  25          1H5*        U  25  -1.838   7.676  -0.430
  265   2H5*    U  25          2H5*        U  25  -1.606   5.965  -0.844
  266    H4*    U  25           H4*        U  25  -1.529   6.217   1.562
  267    H3*    U  25           H3*        U  25  -4.013   4.862   0.501
  268    H2*    U  25           H2*        U  25  -4.891   4.717   2.658
  269   2HO*    U  25          2HO*        U  25  -2.274   5.139   3.701
  270    H1*    U  25           H1*        U  25  -3.650   7.013   3.743
  271    H3     U  25           H3         U  25  -8.032   7.855   4.475
  272    H5     U  25           H5         U  25  -7.614   8.200   0.299
  273    H6     U  25           H6         U  25  -5.335   7.397   0.525
  274   1H5*    U  26          1H5*        U  26  -2.373   3.068   3.570
  275   2H5*    U  26          2H5*        U  26  -1.834   1.379   3.504
  276    H4*    U  26           H4*        U  26  -2.919   1.477   5.561
  277    H3*    U  26           H3*        U  26  -4.913   0.541   3.490
  278    H2*    U  26           H2*        U  26  -6.609   0.545   5.096
  279   2HO*    U  26          2HO*        U  26  -4.575   0.603   7.092
  280    H1*    U  26           H1*        U  26  -5.714   2.710   6.621
  281    H3     U  26           H3         U  26  -9.604   4.447   5.198
  282    H5     U  26           H5         U  26  -7.507   3.744   1.613
  283    H6     U  26           H6         U  26  -5.738   2.727   2.923
  284   1H5*    G  27          1H5*        G  27  -5.155  -1.541   7.012
  285   2H5*    G  27          2H5*        G  27  -5.783  -3.199   6.933
  286    H4*    G  27           H4*        G  27  -7.173  -1.605   8.298
  287    H3*    G  27           H3*        G  27  -8.410  -2.998   5.908
  288    H2*    G  27           H2*        G  27 -10.424  -1.902   6.345
  289   2HO*    G  27          2HO*        G  27 -10.727  -2.498   8.459
  290    H1*    G  27           H1*        G  27  -9.301   0.407   7.567
  291    H8     G  27           H8         G  27  -8.183  -0.475   3.997
  292    H1     G  27           H1         G  27 -13.400   3.215   4.344
  293   1H2     G  27          1H2         G  27 -14.072   3.376   6.455
  294   2H2     G  27          2H2         G  27 -13.232   2.580   7.768
  295   1H5*    G  28          1H5*        G  28 -10.860  -4.420   9.585
  296   2H5*    G  28          2H5*        G  28 -10.656  -6.177   9.444
  297    H4*    G  28           H4*        G  28 -12.932  -5.981   9.862
  298    H3*    G  28           H3*        G  28 -12.468  -6.141   6.893
  299    H2*    G  28           H2*        G  28 -14.717  -5.668   6.411
  300   2HO*    G  28          2HO*        G  28 -16.329  -5.740   8.101
  301    H1*    G  28           H1*        G  28 -15.197  -3.790   8.339
  302    H8     G  28           H8         G  28 -11.710  -3.660   6.694
  303    H1     G  28           H1         G  28 -16.188  -0.183   3.718
  304   1H2     G  28          1H2         G  28 -18.164  -0.512   4.680
  305   2H2     G  28          2H2         G  28 -18.384  -1.607   6.026
  306   1H5*    U  29          1H5*        U  29 -15.898  -8.122   7.243
  307   2H5*    U  29          2H5*        U  29 -15.823  -9.744   6.525
  308    H4*    U  29           H4*        U  29 -17.667  -8.512   5.543
  309    H3*    U  29           H3*        U  29 -15.306  -8.955   3.706
  310    H2*    U  29           H2*        U  29 -16.354  -7.732   2.026
  311   2HO*    U  29          2HO*        U  29 -18.900  -7.607   3.087
  312    H1*    U  29           H1*        U  29 -17.894  -6.028   3.687
  313    H3     U  29           H3         U  29 -15.607  -3.116   1.088
  314    H5     U  29           H5         U  29 -12.632  -4.876   3.505
  315    H6     U  29           H6         U  29 -14.323  -6.380   4.377
  316   1H5*    U  30          1H5*        U  30 -19.342 -10.284   1.931
  317   2H5*    U  30          2H5*        U  30 -18.989 -11.654   0.857
  318    H4*    U  30           H4*        U  30 -20.378  -9.849  -0.192
  319    H3*    U  30           H3*        U  30 -17.696 -10.572  -1.391
  320    H2*    U  30           H2*        U  30 -18.007  -8.948  -3.064
  321   2HO*    U  30          2HO*        U  30 -20.259  -7.901  -3.066
  322    H1*    U  30           H1*        U  30 -19.262  -7.033  -1.501
  323    H3     U  30           H3         U  30 -15.335  -5.064  -2.555
  324    H5     U  30           H5         U  30 -14.266  -8.032   0.241
  325    H6     U  30           H6         U  30 -16.555  -8.838   0.157
  326   1H5*    C  31          1H5*        C  31 -20.268 -10.526  -4.688
  327   2H5*    C  31          2H5*        C  31 -19.776 -11.758  -5.865
  328    H4*    C  31           H4*        C  31 -19.669  -9.383  -6.700
  329    H3*    C  31           H3*        C  31 -17.161 -11.083  -6.683
  330    H2*    C  31           H2*        C  31 -15.957  -9.284  -7.548
  331   2HO*    C  31          2HO*        C  31 -18.448  -8.237  -8.451
  332    H1*    C  31           H1*        C  31 -17.549  -7.212  -6.438
  333   1H4     C  31          1H4         C  31 -11.920  -6.841  -3.494
  334   2H4     C  31          2H4         C  31 -12.282  -8.281  -2.567
  335    H5     C  31           H5         C  31 -14.281  -9.589  -2.883
  336    H6     C  31           H6         C  31 -16.347  -9.820  -4.181
  337   1H5*    U  32          1H5*        U  32 -17.608 -10.094 -11.093
  338   2H5*    U  32          2H5*        U  32 -17.327 -11.653 -11.895
  339    H4*    U  32           H4*        U  32 -15.861  -9.965 -12.848
  340    H3*    U  32           H3*        U  32 -14.539 -12.107 -11.189
  341    H2*    U  32           H2*        U  32 -12.448 -11.079 -11.389
  342   2HO*    U  32          2HO*        U  32 -12.286  -9.269 -13.032
  343    H1*    U  32           H1*        U  32 -13.266  -8.427 -11.397
  344    H3     U  32           H3         U  32 -10.957  -8.578  -7.539
  345    H5     U  32           H5         U  32 -14.311 -10.999  -6.766
  346    H6     U  32           H6         U  32 -14.952 -10.734  -9.092
  347   1H5*    U  33          1H5*        U  33 -12.515 -11.374 -15.101
  348   2H5*    U  33          2H5*        U  33 -11.854 -12.893 -15.738
  349    H4*    U  33           H4*        U  33 -10.211 -10.988 -15.636
  350    H3*    U  33           H3*        U  33  -9.692 -13.599 -14.229
  351    H2*    U  33           H2*        U  33  -7.795 -12.777 -13.172
  352   2HO*    U  33          2HO*        U  33  -6.525 -12.071 -14.750
  353    H1*    U  33           H1*        U  33  -8.482 -10.043 -13.072
  354    H3     U  33           H3         U  33  -7.771 -10.905  -8.705
  355    H5     U  33           H5         U  33 -11.206 -13.169  -9.627
  356    H6     U  33           H6         U  33 -10.916 -12.543 -11.953
  357   1H5*    C  34          1H5*        C  34  -5.294 -15.198 -14.857
  358   2H5*    C  34          2H5*        C  34  -6.570 -14.634 -13.759
  359    H4*    C  34           H4*        C  34  -4.393 -12.702 -14.413
  360    H3*    C  34           H3*        C  34  -3.902 -15.254 -12.901
  361    H2*    C  34           H2*        C  34  -2.962 -14.151 -11.084
  362   2HO*    C  34          2HO*        C  34  -2.401 -11.721 -11.652
  363    H1*    C  34           H1*        C  34  -4.318 -11.699 -11.270
  364   1H4     C  34          1H4         C  34  -6.620 -14.937  -6.236
  365   2H4     C  34          2H4         C  34  -7.974 -15.410  -7.237
  366    H5     C  34           H5         C  34  -8.092 -14.953  -9.599
  367    H6     C  34           H6         C  34  -6.934 -13.954 -11.513
  368   1H5*    C  35          1H5*        C  35   0.946 -16.472 -13.183
  369   2H5*    C  35          2H5*        C  35  -0.156 -17.036 -11.911
  370    H4*    C  35           H4*        C  35   2.078 -15.027 -11.753
  371    H3*    C  35           H3*        C  35   1.401 -17.603 -10.436
  372    H2*    C  35           H2*        C  35   1.669 -16.876  -8.251
  373   2HO*    C  35          2HO*        C  35   2.887 -14.700  -8.037
  374    H1*    C  35           H1*        C  35   0.969 -14.222  -8.441
  375   1H4     C  35          1H4         C  35  -4.111 -17.384  -6.156
  376   2H4     C  35          2H4         C  35  -4.787 -17.359  -7.769
  377    H5     C  35           H5         C  35  -3.574 -16.584  -9.696
  378    H6     C  35           H6         C  35  -1.449 -15.664 -10.499
  379   1H5*    U  36          1H5*        U  36   4.092 -20.925 -10.900
  380   2H5*    U  36          2H5*        U  36   2.569 -21.201 -10.030
  381    H4*    U  36           H4*        U  36   5.098 -19.874  -9.093
  382    H3*    U  36           H3*        U  36   3.392 -22.148  -8.214
  383    H2*    U  36           H2*        U  36   3.237 -21.514  -5.986
  384   2HO*    U  36          2HO*        U  36   4.832 -19.887  -5.168
  385    H1*    U  36           H1*        U  36   3.340 -18.775  -6.171
  386    H3     U  36           H3         U  36  -0.774 -20.426  -4.698
  387    H5     U  36           H5         U  36  -1.094 -19.687  -8.834
  388    H6     U  36           H6         U  36   1.313 -19.392  -8.902
  389   1H5*    A  37          1H5*        A  37   5.876 -21.966  -3.921
  390   2H5*    A  37          2H5*        A  37   6.779 -23.353  -4.564
  391    H4*    A  37           H4*        A  37   5.415 -23.712  -2.416
  392    H3*    A  37           H3*        A  37   6.048 -25.529  -4.404
  393    H2*    A  37           H2*        A  37   4.026 -25.588  -5.570
  394   2HO*    A  37          2HO*        A  37   3.234 -27.057  -3.261
  395    H1*    A  37           H1*        A  37   2.302 -25.105  -3.182
  396    H8     A  37           H8         A  37   3.288 -23.862  -6.729
  397   1H6     A  37          1H6         A  37  -2.691 -22.437  -7.324
  398   2H6     A  37          2H6         A  37  -1.142 -22.508  -8.133
  399    H2     A  37           H2         A  37  -2.030 -23.895  -3.124
  400   1H5*    A  38          1H5*        A  38   7.804 -27.855   0.597
  401   2H5*    A  38          2H5*        A  38   6.436 -28.645  -0.213
  402    H4*    A  38           H4*        A  38   6.615 -27.857   2.488
  403    H3*    A  38           H3*        A  38   4.421 -28.943   0.736
  404    H2*    A  38           H2*        A  38   2.761 -28.302   2.258
  405   2HO*    A  38          2HO*        A  38   3.306 -27.707   4.440
  406    H1*    A  38           H1*        A  38   3.870 -25.936   3.142
  407    H8     A  38           H8         A  38   4.409 -25.720  -0.505
  408   1H6     A  38          1H6         A  38  -1.591 -24.414  -1.182
  409   2H6     A  38          2H6         A  38  -0.030 -24.457  -1.971
  410    H2     A  38           H2         A  38  -0.956 -25.855   3.028
  411   1H5*    G  39          1H5*        G  39   3.683 -32.161   4.697
  412   2H5*    G  39          2H5*        G  39   3.779 -31.298   3.149
  413    H4*    G  39           H4*        G  39   2.082 -30.306   5.452
  414    H3*    G  39           H3*        G  39   1.401 -32.398   3.395
  415    H2*    G  39           H2*        G  39  -0.631 -31.380   2.888
  416   2HO*    G  39          2HO*        G  39  -0.516 -29.823   5.260
  417    H1*    G  39           H1*        G  39   0.064 -28.717   3.389
  418    H8     G  39           H8         G  39   2.654 -30.254   1.138
  419    H1     G  39           H1         G  39  -2.683 -28.584  -1.980
  420   1H2     G  39          1H2         G  39  -4.284 -28.083  -0.530
  421   2H2     G  39          2H2         G  39  -4.042 -28.161   1.201
  422   1H5*    U  40          1H5*        U  40  -2.283 -32.004   6.111
  423   2H5*    U  40          2H5*        U  40  -2.638 -33.712   6.439
  424    H4*    U  40           H4*        U  40  -4.617 -32.432   5.637
  425    H3*    U  40           H3*        U  40  -3.589 -34.779   4.052
  426    H2*    U  40           H2*        U  40  -5.138 -34.403   2.333
  427   2HO*    U  40          2HO*        U  40  -6.582 -32.494   3.832
  428    H1*    U  40           H1*        U  40  -5.157 -31.648   2.359
  429    H3     U  40           H3         U  40  -3.151 -32.494  -1.597
  430    H5     U  40           H5         U  40  -0.266 -33.639   1.255
  431    H6     U  40           H6         U  40  -1.912 -33.228   2.989
  432   1H5*    C  41          1H5*        C  41  -7.588 -34.739   4.164
  433   2H5*    C  41          2H5*        C  41  -8.452 -36.243   4.541
  434    H4*    C  41           H4*        C  41  -9.323 -35.282   2.483
  435    H3*    C  41           H3*        C  41  -7.730 -37.831   2.178
  436    H2*    C  41           H2*        C  41  -7.966 -37.746  -0.147
  437   2HO*    C  41          2HO*        C  41  -9.800 -35.708  -0.359
  438    H1*    C  41           H1*        C  41  -7.966 -34.966  -0.453
  439   1H4     C  41          1H4         C  41  -2.176 -36.757  -2.367
  440   2H4     C  41          2H4         C  41  -1.715 -37.154  -0.726
  441    H5     C  41           H5         C  41  -3.231 -37.014   1.141
  442    H6     C  41           H6         C  41  -5.523 -36.489   1.835
  443   1H5*    C  42          1H5*        C  42 -10.968 -37.713  -0.008
  444   2H5*    C  42          2H5*        C  42 -12.232 -38.943   0.193
  445    H4*    C  42           H4*        C  42 -12.000 -38.633  -2.146
  446    H3*    C  42           H3*        C  42 -10.604 -41.131  -1.186
  447    H2*    C  42           H2*        C  42  -9.776 -41.557  -3.342
  448   2HO*    C  42          2HO*        C  42 -10.667 -40.079  -5.111
  449    H1*    C  42           H1*        C  42  -9.259 -38.958  -4.105
  450   1H4     C  42          1H4         C  42  -3.619 -41.083  -2.062
  451   2H4     C  42          2H4         C  42  -4.165 -41.029  -0.403
  452    H5     C  42           H5         C  42  -6.409 -40.447   0.231
  453    H6     C  42           H6         C  42  -8.624 -39.792  -0.586
  454   1H5*    U  43          1H5*        U  43 -12.036 -41.684  -4.818
  455   2H5*    U  43          2H5*        U  43 -12.956 -43.182  -5.060
  456    H4*    U  43           H4*        U  43 -11.138 -42.951  -6.705
  457    H3*    U  43           H3*        U  43 -10.968 -45.202  -4.714
  458    H2*    U  43           H2*        U  43  -8.831 -45.731  -5.355
  459   2HO*    U  43          2HO*        U  43  -8.333 -44.966  -7.742
  460    H1*    U  43           H1*        U  43  -8.257 -43.243  -6.750
  461    H3     U  43           H3         U  43  -4.288 -43.834  -4.725
  462    H5     U  43           H5         U  43  -6.999 -43.532  -1.509
  463    H6     U  43           H6         U  43  -8.806 -43.498  -3.126
  464    H3T    U  43           H3T        U  43 -11.074 -45.533  -7.475
  465   1H5*    G  44          1H5*        G  44  -8.776  45.127   4.072
  466   2H5*    G  44          2H5*        G  44  -8.686  43.388   3.724
  467    H4*    G  44           H4*        G  44  -8.611  44.844   1.688
  468    H3*    G  44           H3*        G  44  -6.478  42.855   2.338
  469    H2*    G  44           H2*        G  44  -4.965  43.647   0.743
  470   2HO*    G  44          2HO*        G  44  -6.879  45.298  -0.514
  471    H1*    G  44           H1*        G  44  -5.443  46.329   0.875
  472    H8     G  44           H8         G  44  -5.637  45.208   4.434
  473    H1     G  44           H1         G  44   0.394  45.408   2.284
  474   1H2     G  44          1H2         G  44   0.406  45.668   0.082
  475   2H2     G  44          2H2         G  44  -1.063  45.789  -0.859
  476    H5T    G  44           H5T        G  44  -6.894  43.282   4.785
  477   1H5*    G  45          1H5*        G  45  -6.078  42.860  -1.289
  478   2H5*    G  45          2H5*        G  45  -6.502  41.377  -2.166
  479    H4*    G  45           H4*        G  45  -4.293  42.006  -2.846
  480    H3*    G  45           H3*        G  45  -4.360  39.657  -0.952
  481    H2*    G  45           H2*        G  45  -2.041  39.612  -0.825
  482   2HO*    G  45          2HO*        G  45  -0.736  40.539  -2.526
  483    H1*    G  45           H1*        G  45  -1.540  42.349  -1.397
  484    H8     G  45           H8         G  45  -3.813  41.806   1.593
  485    H1     G  45           H1         G  45   2.430  41.411   2.982
  486   1H2     G  45          1H2         G  45   3.618  41.372   1.112
  487   2H2     G  45          2H2         G  45   2.880  41.449  -0.472
  488   1H5*    G  46          1H5*        G  46  -1.970  39.306  -4.077
  489   2H5*    G  46          2H5*        G  46  -2.046  37.940  -5.207
  490    H4*    G  46           H4*        G  46   0.264  38.348  -4.748
  491    H3*    G  46           H3*        G  46  -0.837  35.924  -3.325
  492    H2*    G  46           H2*        G  46   1.186  35.589  -2.213
  493   2HO*    G  46          2HO*        G  46   2.783  37.351  -3.599
  494    H1*    G  46           H1*        G  46   2.010  38.269  -2.035
  495    H8     G  46           H8         G  46  -1.549  37.474  -0.835
  496    H1     G  46           H1         G  46   2.978  36.829   3.647
  497   1H2     G  46          1H2         G  46   4.991  37.047   2.719
  498   2H2     G  46          2H2         G  46   5.210  37.348   1.011
  499   1H5*    A  47          1H5*        A  47   2.998  35.162  -5.187
  500   2H5*    A  47          2H5*        A  47   2.969  33.622  -6.070
  501    H4*    A  47           H4*        A  47   4.962  33.808  -4.640
  502    H3*    A  47           H3*        A  47   2.932  31.676  -3.993
  503    H2*    A  47           H2*        A  47   4.093  31.044  -2.066
  504   2HO*    A  47          2HO*        A  47   6.367  32.421  -3.097
  505    H1*    A  47           H1*        A  47   5.114  33.533  -1.337
  506    H8     A  47           H8         A  47   1.379  33.372  -2.260
  507   1H6     A  47          1H6         A  47   0.384  32.499   3.772
  508   2H6     A  47          2H6         A  47  -0.365  32.767   2.215
  509    H2     A  47           H2         A  47   4.826  32.420   3.079
  510   1H5*    U  48          1H5*        U  48   6.661  29.588  -3.679
  511   2H5*    U  48          2H5*        U  48   6.395  27.923  -4.234
  512    H4*    U  48           H4*        U  48   7.091  28.191  -1.808
  513    H3*    U  48           H3*        U  48   4.623  26.684  -2.651
  514    H2*    U  48           H2*        U  48   3.931  26.378  -0.447
  515   2HO*    U  48          2HO*        U  48   5.812  25.472   0.360
  516    H1*    U  48           H1*        U  48   4.965  28.718   0.678
  517    H3     U  48           H3         U  48   0.552  29.309   1.398
  518    H5     U  48           H5         U  48   0.936  29.632  -2.786
  519    H6     U  48           H6         U  48   3.266  28.999  -2.556
  520   1H5*    A  49          1H5*        A  49   8.862  23.500  -0.384
  521   2H5*    A  49          2H5*        A  49   7.219  22.866  -0.608
  522    H4*    A  49           H4*        A  49   8.577  23.435   2.048
  523    H3*    A  49           H3*        A  49   8.839  21.130   0.463
  524    H2*    A  49           H2*        A  49   6.689  20.266   0.738
  525   2HO*    A  49          2HO*        A  49   8.332  19.173   2.320
  526    H1*    A  49           H1*        A  49   6.375  21.453   3.479
  527    H8     A  49           H8         A  49   4.692  21.572  -0.046
  528   1H6     A  49          1H6         A  49  -0.535  20.464   3.045
  529   2H6     A  49          2H6         A  49   0.177  20.728   1.469
  530    H2     A  49           H2         A  49   2.819  20.666   6.029
  531   1H5*    U  50          1H5*        U  50  11.080  19.251   5.286
  532   2H5*    U  50          2H5*        U  50   9.591  19.135   4.329
  533    H4*    U  50           H4*        U  50   9.933  18.929   7.173
  534    H3*    U  50           H3*        U  50   8.109  17.927   5.329
  535    H2*    U  50           H2*        U  50   6.697  19.802   5.189
  536   2HO*    U  50          2HO*        U  50   4.951  19.237   6.259
  537    H1*    U  50           H1*        U  50   7.087  20.509   8.082
  538    H3     U  50           H3         U  50   7.865  25.073   6.495
  539    H5     U  50           H5         U  50   4.307  23.376   5.006
  540    H6     U  50           H6         U  50   5.088  21.215   5.789
  541   1H5*    G  51          1H5*        G  51   4.602  17.701   8.206
  542   2H5*    G  51          2H5*        G  51   4.701  15.943   8.432
  543    H4*    G  51           H4*        G  51   2.441  16.701   7.743
  544    H3*    G  51           H3*        G  51   4.005  14.815   6.001
  545    H2*    G  51           H2*        G  51   2.494  14.970   4.253
  546   2HO*    G  51          2HO*        G  51   0.494  14.605   4.732
  547    H1*    G  51           H1*        G  51   1.392  17.520   4.819
  548    H8     G  51           H8         G  51   5.133  17.675   4.394
  549    H1     G  51           H1         G  51   1.983  17.622  -1.174
  550   1H2     G  51          1H2         G  51  -0.152  17.141  -0.836
  551   2H2     G  51          2H2         G  51  -0.804  16.832   0.756
  552   1H5*    G  52          1H5*        G  52   2.807  10.629   5.304
  553   2H5*    G  52          2H5*        G  52   3.970  11.343   4.168
  554    H4*    G  52           H4*        G  52   0.984  11.166   4.002
  555    H3*    G  52           H3*        G  52   3.311  10.617   2.178
  556    H2*    G  52           H2*        G  52   2.152  11.389   0.284
  557   2HO*    G  52          2HO*        G  52  -0.046  10.622   1.777
  558    H1*    G  52           H1*        G  52   0.846  13.510   1.385
  559    H8     G  52           H8         G  52   4.054  13.913   3.098
  560    H1     G  52           H1         G  52   4.666  15.093  -3.166
  561   1H2     G  52          1H2         G  52   2.864  14.371  -4.249
  562   2H2     G  52          2H2         G  52   1.520  13.604  -3.434
  563   1H5*    A  53          1H5*        A  53   0.589   8.942   0.480
  564   2H5*    A  53          2H5*        A  53   0.158   7.220   0.500
  565    H4*    A  53           H4*        A  53  -0.018   7.591  -1.746
  566    H3*    A  53           H3*        A  53   2.892   6.954  -1.267
  567    H2*    A  53           H2*        A  53   3.441   7.509  -3.476
  568   2HO*    A  53          2HO*        A  53   0.669   7.166  -4.006
  569    H1*    A  53           H1*        A  53   1.683   9.608  -3.842
  570    H8     A  53           H8         A  53   3.422   9.760  -0.447
  571   1H6     A  53          1H6         A  53   7.997  12.747  -3.335
  572   2H6     A  53          2H6         A  53   7.362  12.242  -1.784
  573    H2     A  53           H2         A  53   5.129  11.256  -6.459
  574   1H5*    A  54          1H5*        A  54   1.758   5.441  -5.082
  575   2H5*    A  54          2H5*        A  54   2.196   3.722  -5.139
  576    H4*    A  54           H4*        A  54   2.986   4.899  -7.138
  577    H3*    A  54           H3*        A  54   5.105   3.876  -5.241
  578    H2*    A  54           H2*        A  54   6.785   4.759  -6.627
  579   2HO*    A  54          2HO*        A  54   5.699   5.662  -8.801
  580    H1*    A  54           H1*        A  54   5.450   7.049  -7.451
  581    H8     A  54           H8         A  54   5.214   6.292  -3.698
  582   1H6     A  54          1H6         A  54  10.302   9.731  -3.111
  583   2H6     A  54          2H6         A  54   9.015   8.908  -2.259
  584    H2     A  54           H2         A  54   9.548   9.120  -7.499
  585   1H5*    G  55          1H5*        G  55   6.172   1.831  -9.127
  586   2H5*    G  55          2H5*        G  55   6.772   0.233  -8.646
  587    H4*    G  55           H4*        G  55   8.427   1.513  -9.973
  588    H3*    G  55           H3*        G  55   9.144   0.872  -7.099
  589    H2*    G  55           H2*        G  55  11.249   1.900  -7.451
  590   2HO*    G  55          2HO*        G  55  12.201   1.951  -9.351
  591    H1*    G  55           H1*        G  55  10.338   4.019  -8.942
  592    H8     G  55           H8         G  55   8.038   3.092  -6.014
  593    H1     G  55           H1         G  55  12.937   6.884  -4.418
  594   1H2     G  55          1H2         G  55  14.320   7.099  -6.136
  595   2H2     G  55          2H2         G  55  14.040   6.307  -7.669
  596   1H5*    A  56          1H5*        A  56  12.065   0.169  -9.265
  597   2H5*    A  56          2H5*        A  56  12.826  -1.429  -9.395
  598    H4*    A  56           H4*        A  56  14.617   0.074  -9.086
  599    H3*    A  56           H3*        A  56  13.888  -1.275  -6.483
  600    H2*    A  56           H2*        A  56  15.449   0.018  -5.338
  601   2HO*    A  56          2HO*        A  56  17.194   1.077  -6.532
  602    H1*    A  56           H1*        A  56  15.399   2.292  -7.018
  603    H8     A  56           H8         A  56  12.041   1.126  -5.585
  604   1H6     A  56          1H6         A  56  13.247   4.812  -0.784
  605   2H6     A  56          2H6         A  56  12.055   3.783  -1.545
  606    H2     A  56           H2         A  56  16.911   4.699  -3.388
  607   1H5*    A  57          1H5*        A  57  18.430  -1.570  -7.514
  608   2H5*    A  57          2H5*        A  57  18.832  -3.242  -7.071
  609    H4*    A  57           H4*        A  57  20.540  -1.702  -6.248
  610    H3*    A  57           H3*        A  57  18.826  -3.073  -4.176
  611    H2*    A  57           H2*        A  57  19.917  -1.913  -2.443
  612   2HO*    A  57          2HO*        A  57  22.051  -2.308  -3.505
  613    H1*    A  57           H1*        A  57  20.139   0.525  -3.674
  614    H8     A  57           H8         A  57  16.836  -1.322  -4.346
  615   1H6     A  57          1H6         A  57  14.699   1.517   0.703
  616   2H6     A  57          2H6         A  57  14.287   0.502  -0.660
  617    H2     A  57           H2         A  57  19.097   2.410   0.370
  618   1H5*    C  58          1H5*        C  58  22.796  -3.997  -2.627
  619   2H5*    C  58          2H5*        C  58  22.744  -5.707  -2.153
  620    H4*    C  58           H4*        C  58  23.368  -4.251  -0.266
  621    H3*    C  58           H3*        C  58  20.721  -5.703  -0.071
  622    H2*    C  58           H2*        C  58  20.322  -4.703   2.008
  623   2HO*    C  58          2HO*        C  58  21.932  -4.016   3.359
  624    H1*    C  58           H1*        C  58  21.666  -2.277   1.531
  625   1H4     C  58          1H4         C  58  15.514  -0.696   1.310
  626   2H4     C  58          2H4         C  58  15.329  -1.507  -0.228
  627    H5     C  58           H5         C  58  17.092  -2.773  -1.273
  628    H6     C  58           H6         C  58  19.413  -3.535  -1.071
  629   1H5*    C  59          1H5*        C  59  22.577  -6.398   3.569
  630   2H5*    C  59          2H5*        C  59  22.216  -8.021   4.192
  631    H4*    C  59           H4*        C  59  21.389  -6.241   5.693
  632    H3*    C  59           H3*        C  59  19.315  -7.983   4.338
  633    H2*    C  59           H2*        C  59  17.627  -6.791   5.430
  634   2HO*    C  59          2HO*        C  59  18.578  -7.028   7.525
  635    H1*    C  59           H1*        C  59  18.955  -4.305   5.536
  636   1H4     C  59          1H4         C  59  14.323  -3.578   1.242
  637   2H4     C  59          2H4         C  59  15.111  -4.687   0.141
  638    H5     C  59           H5         C  59  17.159  -5.847   0.674
  639    H6     C  59           H6         C  59  18.850  -6.249   2.404
  640   1H5*    G  60          1H5*        G  60  19.396  -8.310   9.136
  641   2H5*    G  60          2H5*        G  60  18.910  -9.997   9.399
  642    H4*    G  60           H4*        G  60  17.803  -8.421  10.963
  643    H3*    G  60           H3*        G  60  16.102  -9.996   9.030
  644    H2*    G  60           H2*        G  60  14.163  -8.930   9.796
  645   2HO*    G  60          2HO*        G  60  14.064  -7.875  11.802
  646    H1*    G  60           H1*        G  60  15.248  -6.422  10.311
  647    H8     G  60           H8         G  60  16.407  -7.728   6.956
  648    H1     G  60           H1         G  60  10.585  -5.072   6.758
  649   1H2     G  60          1H2         G  60   9.849  -4.702   8.822
  650   2H2     G  60          2H2         G  60  10.787  -5.106  10.241
  651   1H5*    G  61          1H5*        G  61  13.934  -9.974  12.294
  652   2H5*    G  61          2H5*        G  61  13.716 -11.602  12.966
  653    H4*    G  61           H4*        G  61  11.554 -10.630  12.917
  654    H3*    G  61           H3*        G  61  11.971 -12.526  10.600
  655    H2*    G  61           H2*        G  61   9.867 -11.997   9.749
  656   2HO*    G  61          2HO*        G  61   9.284 -11.539  12.449
  657    H1*    G  61           H1*        G  61   9.702  -9.349  10.726
  658    H8     G  61           H8         G  61  12.805 -10.213   8.658
  659    H1     G  61           H1         G  61   7.766  -8.356   5.177
  660   1H2     G  61          1H2         G  61   5.973  -8.176   6.473
  661   2H2     G  61          2H2         G  61   6.017  -8.511   8.189
  662   1H5*    G  62          1H5*        G  62   7.964 -12.817  12.407
  663   2H5*    G  62          2H5*        G  62   7.624 -14.547  12.604
  664    H4*    G  62           H4*        G  62   5.780 -13.244  11.505
  665    H3*    G  62           H3*        G  62   7.076 -15.574  10.091
  666    H2*    G  62           H2*        G  62   5.838 -15.176   8.162
  667   2HO*    G  62          2HO*        G  62   3.957 -13.416   9.028
  668    H1*    G  62           H1*        G  62   5.477 -12.388   8.462
  669    H8     G  62           H8         G  62   9.075 -13.698   8.578
  670    H1     G  62           H1         G  62   6.975 -12.264   2.703
  671   1H2     G  62          1H2         G  62   4.801 -11.820   2.757
  672   2H2     G  62          2H2         G  62   3.868 -11.879   4.238
  673   1H5*    G  63          1H5*        G  63   5.387 -19.533   9.565
  674   2H5*    G  63          2H5*        G  63   6.816 -19.102   8.607
  675    H4*    G  63           H4*        G  63   3.920 -18.702   8.025
  676    H3*    G  63           H3*        G  63   6.365 -19.557   6.520
  677    H2*    G  63           H2*        G  63   5.792 -18.412   4.564
  678   2HO*    G  63          2HO*        G  63   3.645 -17.665   4.190
  679    H1*    G  63           H1*        G  63   4.694 -16.151   5.611
  680    H8     G  63           H8         G  63   7.471 -16.631   7.975
  681    H1     G  63           H1         G  63   9.666 -15.073   2.168
  682   1H2     G  63          1H2         G  63   8.048 -15.224   0.680
  683   2H2     G  63          2H2         G  63   6.422 -15.714   1.101
  684   1H5*    A  64          1H5*        A  64   7.013 -23.599   5.848
  685   2H5*    A  64          2H5*        A  64   7.796 -22.119   5.259
  686    H4*    A  64           H4*        A  64   7.929 -24.325   3.851
  687    H3*    A  64           H3*        A  64   7.616 -21.515   2.926
  688    H2*    A  64           H2*        A  64   6.829 -22.027   0.802
  689   2HO*    A  64          2HO*        A  64   7.160 -24.263  -0.025
  690    H1*    A  64           H1*        A  64   5.457 -24.363   1.258
  691    H8     A  64           H8         A  64   4.708 -21.886   4.027
  692   1H6     A  64          1H6         A  64   0.265 -19.659   0.370
  693   2H6     A  64          2H6         A  64   0.953 -19.634   1.979
  694    H2     A  64           H2         A  64   2.744 -22.513  -2.057
  695   1H5*    A  65          1H5*        A  65  10.565 -19.732   0.176
  696   2H5*    A  65          2H5*        A  65   9.353 -18.592   0.794
  697    H4*    A  65           H4*        A  65   9.297 -20.331  -1.595
  698    H3*    A  65           H3*        A  65   8.220 -17.651  -0.799
  699    H2*    A  65           H2*        A  65   6.242 -17.884  -1.997
  700   2HO*    A  65          2HO*        A  65   6.412 -18.570  -3.967
  701    H1*    A  65           H1*        A  65   5.828 -20.604  -1.784
  702    H8     A  65           H8         A  65   6.588 -19.943   1.698
  703   1H6     A  65          1H6         A  65   1.076 -17.228   2.315
  704   2H6     A  65          2H6         A  65   2.447 -17.907   3.162
  705    H2     A  65           H2         A  65   1.938 -17.624  -2.080
  706   1H5*    A  66          1H5*        A  66   8.749 -15.523  -5.653
  707   2H5*    A  66          2H5*        A  66   8.556 -14.286  -4.396
  708    H4*    A  66           H4*        A  66   6.735 -14.968  -6.438
  709    H3*    A  66           H3*        A  66   6.752 -13.080  -4.127
  710    H2*    A  66           H2*        A  66   4.431 -13.033  -3.852
  711   2HO*    A  66          2HO*        A  66   3.162 -14.129  -5.698
  712    H1*    A  66           H1*        A  66   3.782 -15.605  -4.413
  713    H8     A  66           H8         A  66   7.103 -15.426  -2.538
  714   1H6     A  66          1H6         A  66   3.749 -15.603   2.650
  715   2H6     A  66          2H6         A  66   5.370 -15.677   1.986
  716    H2     A  66           H2         A  66   0.919 -15.122  -0.823
  717   1H5*    C  67          1H5*        C  67   4.293 -11.188  -5.774
  718   2H5*    C  67          2H5*        C  67   4.467  -9.425  -5.870
  719    H4*    C  67           H4*        C  67   2.725 -10.146  -4.249
  720    H3*    C  67           H3*        C  67   5.126  -8.607  -3.261
  721    H2*    C  67           H2*        C  67   4.399  -8.784  -1.043
  722   2HO*    C  67          2HO*        C  67   1.951  -9.843  -1.209
  723    H1*    C  67           H1*        C  67   3.221 -11.304  -1.191
  724   1H4     C  67          1H4         C  67   8.825 -12.315   1.641
  725   2H4     C  67          2H4         C  67   9.666 -12.088   0.124
  726    H5     C  67           H5         C  67   8.558 -11.442  -1.916
  727    H6     C  67           H6         C  67   6.405 -10.891  -2.945
  728   1H5*    U  68          1H5*        U  68   2.109  -7.564  -1.011
  729   2H5*    U  68          2H5*        U  68   1.779  -5.820  -1.046
  730    H4*    U  68           H4*        U  68   1.899  -6.557   1.255
  731    H3*    U  68           H3*        U  68   4.254  -4.895   0.341
  732    H2*    U  68           H2*        U  68   5.258  -5.131   2.449
  733   2HO*    U  68          2HO*        U  68   2.864  -6.104   3.604
  734    H1*    U  68           H1*        U  68   4.261  -7.691   3.061
  735    H3     U  68           H3         U  68   8.699  -8.459   3.168
  736    H5     U  68           H5         U  68   7.930  -7.660  -0.899
  737    H6     U  68           H6         U  68   5.642  -7.126  -0.294
  738   1H5*    U  69          1H5*        U  69   2.662  -3.641   3.953
  739   2H5*    U  69          2H5*        U  69   2.513  -1.890   4.200
  740    H4*    U  69           H4*        U  69   3.672  -2.862   6.090
  741    H3*    U  69           H3*        U  69   5.436  -1.245   4.237
  742    H2*    U  69           H2*        U  69   7.279  -1.724   5.584
  743   2HO*    U  69          2HO*        U  69   5.367  -2.226   7.624
  744    H1*    U  69           H1*        U  69   6.474  -4.271   6.450
  745    H3     U  69           H3         U  69  10.345  -5.273   4.372
  746    H5     U  69           H5         U  69   7.920  -3.805   1.261
  747    H6     U  69           H6         U  69   6.230  -3.270   2.915
  748   1H5*    G  70          1H5*        G  70   6.220  -0.425   7.852
  749   2H5*    G  70          2H5*        G  70   6.538   1.233   8.396
  750    H4*    G  70           H4*        G  70   8.456  -0.104   8.932
  751    H3*    G  70           H3*        G  70   8.937   1.687   6.533
  752    H2*    G  70           H2*        G  70  11.100   0.824   6.372
  753   2HO*    G  70          2HO*        G  70  11.664   1.310   8.538
  754    H1*    G  70           H1*        G  70  10.532  -1.714   7.544
  755    H8     G  70           H8         G  70   8.678  -0.597   4.349
  756    H1     G  70           H1         G  70  14.079  -3.904   3.383
  757   1H2     G  70          1H2         G  70  15.109  -4.238   5.324
  758   2H2     G  70          2H2         G  70  14.468  -3.646   6.840
  759   1H5*    G  71          1H5*        G  71  11.758   2.186  10.130
  760   2H5*    G  71          2H5*        G  71  11.768   3.933  10.444
  761    H4*    G  71           H4*        G  71  13.985   3.297  10.840
  762    H3*    G  71           H3*        G  71  13.684   4.397   8.050
  763    H2*    G  71           H2*        G  71  15.908   3.851   7.511
  764   2HO*    G  71          2HO*        G  71  17.468   3.828   8.950
  765    H1*    G  71           H1*        G  71  16.054   1.420   8.737
  766    H8     G  71           H8         G  71  12.650   2.182   7.117
  767    H1     G  71           H1         G  71  16.921  -0.454   3.143
  768   1H2     G  71          1H2         G  71  18.887  -0.653   4.170
  769   2H2     G  71          2H2         G  71  19.150  -0.106   5.810
  770   1H5*    U  72          1H5*        U  72  17.259   6.361   9.072
  771   2H5*    U  72          2H5*        U  72  17.091   8.054   8.569
  772    H4*    U  72           H4*        U  72  18.990   6.891   7.462
  773    H3*    U  72           H3*        U  72  16.720   7.872   5.711
  774    H2*    U  72           H2*        U  72  17.839   7.048   3.833
  775   2HO*    U  72          2HO*        U  72  20.215   7.084   5.407
  776    H1*    U  72           H1*        U  72  19.167   4.905   5.125
  777    H3     U  72           H3         U  72  16.902   2.981   1.688
  778    H5     U  72           H5         U  72  13.916   3.963   4.497
  779    H6     U  72           H6         U  72  15.602   5.136   5.784
  780   1H5*    U  73          1H5*        U  73  20.434   9.534   4.000
  781   2H5*    U  73          2H5*        U  73  20.080  11.222   3.586
  782    H4*    U  73           H4*        U  73  21.029  10.093   1.655
  783    H3*    U  73           H3*        U  73  18.061  10.667   1.392
  784    H2*    U  73           H2*        U  73  18.187   9.827  -0.817
  785   2HO*    U  73          2HO*        U  73  21.028   9.842  -0.574
  786    H1*    U  73           H1*        U  73  19.903   7.732  -0.248
  787    H3     U  73           H3         U  73  16.036   5.655  -1.307
  788    H5     U  73           H5         U  73  15.203   7.484   2.406
  789    H6     U  73           H6         U  73  17.392   8.531   2.301
  790   1H5*    C  74          1H5*        C  74  20.181  11.558  -1.869
  791   2H5*    C  74          2H5*        C  74  19.812  13.096  -2.671
  792    H4*    C  74           H4*        C  74  19.808  11.250  -4.276
  793    H3*    C  74           H3*        C  74  17.060  12.419  -3.718
  794    H2*    C  74           H2*        C  74  16.245  10.990  -5.428
  795   2HO*    C  74          2HO*        C  74  18.804  11.259  -6.371
  796    H1*    C  74           H1*        C  74  17.877   8.819  -4.791
  797   1H4     C  74          1H4         C  74  12.244   7.384  -2.222
  798   2H4     C  74          2H4         C  74  12.511   8.522  -0.921
  799    H5     C  74           H5         C  74  14.450   9.959  -0.803
  800    H6     C  74           H6         C  74  16.515  10.643  -1.932
  801   1H5*    U  75          1H5*        U  75  17.901  13.307  -7.610
  802   2H5*    U  75          2H5*        U  75  17.100  14.665  -8.429
  803    H4*    U  75           H4*        U  75  16.268  12.426  -9.164
  804    H3*    U  75           H3*        U  75  14.337  14.319  -7.804
  805    H2*    U  75           H2*        U  75  12.641  12.731  -8.022
  806   2HO*    U  75          2HO*        U  75  13.310  10.838  -9.585
  807    H1*    U  75           H1*        U  75  14.313  10.432  -7.945
  808    H3     U  75           H3         U  75  11.159   9.785  -4.726
  809    H5     U  75           H5         U  75  13.842  12.573  -3.062
  810    H6     U  75           H6         U  75  14.922  12.725  -5.230
  811   1H5*    U  76          1H5*        U  76  12.425  13.648 -11.796
  812   2H5*    U  76          2H5*        U  76  11.879  15.253 -12.313
  813    H4*    U  76           H4*        U  76  10.037  13.644 -12.378
  814    H3*    U  76           H3*        U  76   9.841  15.829 -10.296
  815    H2*    U  76           H2*        U  76   7.820  14.939  -9.519
  816   2HO*    U  76          2HO*        U  76   6.666  13.347 -10.860
  817    H1*    U  76           H1*        U  76   8.363  12.232 -10.036
  818    H3     U  76           H3         U  76   7.808  12.142  -5.563
  819    H5     U  76           H5         U  76  11.360  14.350  -6.077
  820    H6     U  76           H6         U  76  10.988  14.266  -8.473
  821   1H5*    C  77          1H5*        C  77   5.327  17.567 -12.157
  822   2H5*    C  77          2H5*        C  77   5.569  18.283 -10.552
  823    H4*    C  77           H4*        C  77   3.957  15.940 -11.374
  824    H3*    C  77           H3*        C  77   3.787  18.113  -9.312
  825    H2*    C  77           H2*        C  77   2.827  16.739  -7.711
  826   2HO*    C  77          2HO*        C  77   1.978  15.082  -9.869
  827    H1*    C  77           H1*        C  77   3.864  14.255  -8.499
  828   1H4     C  77          1H4         C  77   6.843  15.925  -3.095
  829   2H4     C  77          2H4         C  77   8.115  16.644  -4.058
  830    H5     C  77           H5         C  77   7.996  16.859  -6.452
  831    H6     C  77           H6         C  77   6.630  16.440  -8.443
  832   1H5*    C  78          1H5*        C  78  -0.321  16.420  -9.189
  833   2H5*    C  78          2H5*        C  78  -1.282  17.822  -9.703
  834    H4*    C  78           H4*        C  78  -2.271  16.890  -7.705
  835    H3*    C  78           H3*        C  78  -0.881  19.539  -7.357
  836    H2*    C  78           H2*        C  78  -1.172  19.496  -5.046
  837   2HO*    C  78          2HO*        C  78  -2.782  17.849  -4.192
  838    H1*    C  78           H1*        C  78  -1.102  16.724  -4.638
  839   1H4     C  78          1H4         C  78   4.557  18.678  -2.507
  840   2H4     C  78          2H4         C  78   5.092  19.014  -4.139
  841    H5     C  78           H5         C  78   3.664  18.803  -6.065
  842    H6     C  78           H6         C  78   1.416  18.218  -6.849
  843   1H5*    U  79          1H5*        U  79  -4.484  22.494  -5.645
  844   2H5*    U  79          2H5*        U  79  -2.953  22.967  -4.881
  845    H4*    U  79           H4*        U  79  -5.132  21.176  -3.864
  846    H3*    U  79           H3*        U  79  -3.635  23.559  -2.880
  847    H2*    U  79           H2*        U  79  -3.224  22.719  -0.754
  848   2HO*    U  79          2HO*        U  79  -4.665  20.585  -0.384
  849    H1*    U  79           H1*        U  79  -3.013  20.022  -1.265
  850    H3     U  79           H3         U  79   1.087  21.521   0.133
  851    H5     U  79           H5         U  79   0.956  22.264  -4.016
  852    H6     U  79           H6         U  79  -1.399  21.679  -3.980
  853   1H5*    A  80          1H5*        A  80  -6.077  26.198   0.179
  854   2H5*    A  80          2H5*        A  80  -4.472  26.747  -0.342
  855    H4*    A  80           H4*        A  80  -5.232  25.070   2.043
  856    H3*    A  80           H3*        A  80  -4.555  27.716   1.915
  857    H2*    A  80           H2*        A  80  -2.370  27.573   1.092
  858   2HO*    A  80          2HO*        A  80  -1.770  26.716   3.730
  859    H1*    A  80           H1*        A  80  -1.641  25.050   2.483
  860    H8     A  80           H8         A  80  -2.583  25.672  -1.229
  861   1H6     A  80          1H6         A  80   3.412  24.726  -2.383
  862   2H6     A  80          2H6         A  80   1.840  25.014  -3.093
  863    H2     A  80           H2         A  80   2.831  24.643   2.073
  864   1H5*    A  81          1H5*        A  81  -7.439  26.160   6.842
  865   2H5*    A  81          2H5*        A  81  -6.583  27.713   6.765
  866    H4*    A  81           H4*        A  81  -6.258  25.957   8.777
  867    H3*    A  81           H3*        A  81  -4.346  27.946   7.586
  868    H2*    A  81           H2*        A  81  -2.502  27.027   8.669
  869   2HO*    A  81          2HO*        A  81  -2.801  25.660  10.555
  870    H1*    A  81           H1*        A  81  -3.317  24.359   8.817
  871    H8     A  81           H8         A  81  -3.794  25.389   5.264
  872   1H6     A  81          1H6         A  81   2.268  24.564   4.430
  873   2H6     A  81          2H6         A  81   0.729  24.829   3.640
  874    H2     A  81           H2         A  81   1.452  24.435   8.849
  875   1H5*    G  82          1H5*        G  82  -2.140  30.562  11.445
  876   2H5*    G  82          2H5*        G  82  -2.010  30.377   9.685
  877    H4*    G  82           H4*        G  82  -0.729  28.629  11.810
  878    H3*    G  82           H3*        G  82   0.305  30.786  10.013
  879    H2*    G  82           H2*        G  82   2.106  29.535   9.227
  880   2HO*    G  82          2HO*        G  82   2.028  28.546  11.755
  881    H1*    G  82           H1*        G  82   1.012  27.006   9.240
  882    H8     G  82           H8         G  82  -1.713  28.975   7.731
  883    H1     G  82           H1         G  82   3.225  28.334   3.706
  884   1H2     G  82          1H2         G  82   5.009  27.608   4.804
  885   2H2     G  82          2H2         G  82   4.986  27.279   6.522
  886   1H5*    U  83          1H5*        U  83   3.899  29.989  11.777
  887   2H5*    U  83          2H5*        U  83   4.315  31.366  12.817
  888    H4*    U  83           H4*        U  83   6.225  30.957  11.467
  889    H3*    U  83           H3*        U  83   4.624  33.354  10.654
  890    H2*    U  83           H2*        U  83   5.753  33.646   8.635
  891   2HO*    U  83          2HO*        U  83   7.820  31.880   8.926
  892    H1*    U  83           H1*        U  83   6.282  31.029   7.968
  893    H3     U  83           H3         U  83   3.310  32.194   4.773
  894    H5     U  83           H5         U  83   0.977  31.934   8.272
  895    H6     U  83           H6         U  83   3.022  31.592   9.533
  896   1H5*    C  84          1H5*        C  84   8.095  34.152   9.817
  897   2H5*    C  84          2H5*        C  84   8.967  35.584  10.401
  898    H4*    C  84           H4*        C  84   9.090  35.627   8.018
  899    H3*    C  84           H3*        C  84   7.080  37.580   9.139
  900    H2*    C  84           H2*        C  84   6.383  38.176   7.002
  901   2HO*    C  84          2HO*        C  84   7.716  38.232   5.276
  902    H1*    C  84           H1*        C  84   6.992  35.744   5.683
  903   1H4     C  84          1H4         C  84   0.646  36.027   5.663
  904   2H4     C  84          2H4         C  84   0.593  35.792   7.395
  905    H5     C  84           H5         C  84   2.567  35.642   8.770
  906    H6     C  84           H6         C  84   5.017  35.708   8.783
  907   1H5*    C  85          1H5*        C  85   9.594  38.715   6.234
  908   2H5*    C  85          2H5*        C  85  10.665  40.117   6.426
  909    H4*    C  85           H4*        C  85   9.961  40.193   4.176
  910    H3*    C  85           H3*        C  85   8.357  42.104   5.880
  911    H2*    C  85           H2*        C  85   7.045  42.700   4.027
  912   2HO*    C  85          2HO*        C  85   8.198  41.438   1.966
  913    H1*    C  85           H1*        C  85   6.934  40.215   2.804
  914   1H4     C  85          1H4         C  85   1.401  40.653   5.915
  915   2H4     C  85          2H4         C  85   2.211  40.439   7.448
  916    H5     C  85           H5         C  85   4.599  40.268   7.668
  917    H6     C  85           H6         C  85   6.735  40.275   6.467
  918   1H5*    U  86          1H5*        U  86   8.770  43.611   2.282
  919   2H5*    U  86          2H5*        U  86   9.359  45.283   2.247
  920    H4*    U  86           H4*        U  86   7.286  45.052   0.961
  921    H3*    U  86           H3*        U  86   7.212  46.710   3.468
  922    H2*    U  86           H2*        U  86   4.928  46.793   3.477
  923   2HO*    U  86          2HO*        U  86   4.967  48.104   1.583
  924    H1*    U  86           H1*        U  86   4.538  44.759   1.389
  925    H3     U  86           H3         U  86   0.861  43.916   3.819
  926    H5     U  86           H5         U  86   4.013  43.244   6.544
  927    H6     U  86           H6         U  86   5.550  44.063   4.852
  928    H3T    U  86           H3T        U  86   8.218  47.324   1.406
  929   1HN1  NCO 101          1HN1      NCO 101 -14.331  11.046   6.079
  930   2HN1  NCO 101          2HN1      NCO 101 -13.451  10.899   7.452
  931   3HN1  NCO 101          3HN1      NCO 101 -13.530  12.342   6.679
  932   1HN2  NCO 101          1HN2      NCO 101 -10.682  13.022   5.462
  933   2HN2  NCO 101          2HN2      NCO 101 -11.671  12.952   4.159
  934   3HN2  NCO 101          3HN2      NCO 101 -12.285  13.314   5.633
  935   1HN3  NCO 101          1HN3      NCO 101 -12.502  10.987   3.070
  936   2HN3  NCO 101          2HN3      NCO 101 -13.412   9.828   3.785
  937   3HN3  NCO 101          3HN3      NCO 101 -13.805  11.406   3.969
  938   1HN4  NCO 101          1HN4      NCO 101 -12.290   8.810   6.830
  939   2HN4  NCO 101          2HN4      NCO 101 -13.124   8.696   5.425
  940   3HN4  NCO 101          3HN4      NCO 101 -11.512   8.411   5.445
  941   1HN5  NCO 101          1HN5      NCO 101 -10.213  11.769   7.047
  942   2HN5  NCO 101          2HN5      NCO 101 -11.404  11.048   7.907
  943   3HN5  NCO 101          3HN5      NCO 101 -10.250  10.139   7.185
  944   1HN6  NCO 101          1HN6      NCO 101  -9.953  11.243   4.003
  945   2HN6  NCO 101          2HN6      NCO 101 -10.607   9.780   3.665
  946   3HN6  NCO 101          3HN6      NCO 101  -9.647   9.962   4.979
  947   1HN1  NCO 102          1HN1      NCO 102 -10.769 -16.662  -1.448
  948   2HN1  NCO 102          2HN1      NCO 102 -11.982 -15.585  -1.672
  949   3HN1  NCO 102          3HN1      NCO 102 -10.768 -15.246  -0.626
  950   1HN2  NCO 102          1HN2      NCO 102 -11.516 -13.710  -4.566
  951   2HN2  NCO 102          2HN2      NCO 102 -12.365 -14.788  -3.674
  952   3HN2  NCO 102          3HN2      NCO 102 -11.962 -13.336  -3.036
  953   1HN3  NCO 102          1HN3      NCO 102 -10.292 -17.254  -3.472
  954   2HN3  NCO 102          2HN3      NCO 102  -9.505 -16.539  -4.718
  955   3HN3  NCO 102          3HN3      NCO 102 -11.125 -16.362  -4.562
  956   1HN4  NCO 102          1HN4      NCO 102  -7.863 -16.137  -2.985
  957   2HN4  NCO 102          2HN4      NCO 102  -7.715 -14.883  -1.946
  958   3HN4  NCO 102          3HN4      NCO 102  -8.537 -16.224  -1.496
  959   1HN5  NCO 102          1HN5      NCO 102 -10.377 -13.264  -1.087
  960   2HN5  NCO 102          2HN5      NCO 102  -8.783 -13.267  -1.460
  961   3HN5  NCO 102          3HN5      NCO 102  -9.839 -12.427  -2.389
  962   1HN6  NCO 102          1HN6      NCO 102  -8.711 -13.073  -4.174
  963   2HN6  NCO 102          2HN6      NCO 102  -8.188 -14.545  -4.664
  964   3HN6  NCO 102          3HN6      NCO 102  -9.590 -13.939  -5.249
  965   1HN1  NCO 103          1HN1      NCO 103  14.149  -9.241   0.397
  966   2HN1  NCO 103          2HN1      NCO 103  12.539  -9.527   0.332
  967   3HN1  NCO 103          3HN1      NCO 103  13.099  -8.155   1.030
  968   1HN2  NCO 103          1HN2      NCO 103  15.772 -10.291   3.245
  969   2HN2  NCO 103          2HN2      NCO 103  15.658  -9.515   1.808
  970   3HN2  NCO 103          3HN2      NCO 103  15.380  -8.701   3.202
  971   1HN3  NCO 103          1HN3      NCO 103  14.284 -12.352   2.340
  972   2HN3  NCO 103          2HN3      NCO 103  12.998 -12.153   1.346
  973   3HN3  NCO 103          3HN3      NCO 103  14.453 -11.524   0.937
  974   1HN4  NCO 103          1HN4      NCO 103  11.061 -10.509   3.407
  975   2HN4  NCO 103          2HN4      NCO 103  11.008  -9.839   1.913
  976   3HN4  NCO 103          3HN4      NCO 103  11.377 -11.425   2.086
  977   1HN5  NCO 103          1HN5      NCO 103  12.834  -8.527   4.510
  978   2HN5  NCO 103          2HN5      NCO 103  13.609  -7.688   3.336
  979   3HN5  NCO 103          3HN5      NCO 103  12.019  -8.047   3.174
  980   1HN6  NCO 103          1HN6      NCO 103  12.781 -11.673   4.424
  981   2HN6  NCO 103          2HN6      NCO 103  13.393 -10.314   5.102
  982   3HN6  NCO 103          3HN6      NCO 103  14.399 -11.421   4.437
  983   1HN1  NCO 104          1HN1      NCO 104  12.414  16.557  -0.307
  984   2HN1  NCO 104          2HN1      NCO 104  11.752  15.486  -1.353
  985   3HN1  NCO 104          3HN1      NCO 104  11.773  17.081  -1.719
  986   1HN2  NCO 104          1HN2      NCO 104  11.050  18.860  -0.236
  987   2HN2  NCO 104          2HN2      NCO 104   9.682  19.004   0.652
  988   3HN2  NCO 104          3HN2      NCO 104  11.030  18.362   1.325
  989   1HN3  NCO 104          1HN3      NCO 104  10.507  16.499   2.319
  990   2HN3  NCO 104          2HN3      NCO 104  10.230  14.992   1.742
  991   3HN3  NCO 104          3HN3      NCO 104  11.658  15.735   1.442
  992   1HN4  NCO 104          1HN4      NCO 104   8.445  14.677  -0.405
  993   2HN4  NCO 104          2HN4      NCO 104   9.465  14.789  -1.681
  994   3HN4  NCO 104          3HN4      NCO 104   9.994  14.169  -0.262
  995   1HN5  NCO 104          1HN5      NCO 104   9.844  17.205  -2.513
  996   2HN5  NCO 104          2HN5      NCO 104   8.319  16.986  -1.957
  997   3HN5  NCO 104          3HN5      NCO 104   9.106  18.390  -1.657
  998   1HN6  NCO 104          1HN6      NCO 104   7.763  17.734   0.461
  999   2HN6  NCO 104          2HN6      NCO 104   7.601  16.113   0.615
 1000   3HN6  NCO 104          3HN6      NCO 104   8.342  16.978   1.793
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   6.071 -47.442  -4.730
    2   2H5*    G   1          2H5*        G   1   6.753 -45.841  -5.083
    3    H4*    G   1           H4*        G   1   5.976 -46.737  -7.154
    4    H3*    G   1           H3*        G   1   4.323 -44.531  -5.998
    5    H2*    G   1           H2*        G   1   2.526 -44.838  -7.461
    6   2HO*    G   1          2HO*        G   1   3.387 -46.652  -9.230
    7    H1*    G   1           H1*        G   1   2.513 -47.554  -7.682
    8    H8     G   1           H8         G   1   3.344 -46.908  -4.087
    9    H1     G   1           H1         G   1  -2.858 -45.951  -5.367
   10   1H2     G   1          1H2         G   1  -3.188 -45.952  -7.562
   11   2H2     G   1          2H2         G   1  -1.888 -46.185  -8.708
   12    H5T    G   1           H5T        G   1   5.018 -44.884  -4.178
   13   1H5*    G   2          1H5*        G   2   3.483 -44.170  -9.664
   14   2H5*    G   2          2H5*        G   2   3.925 -42.608 -10.383
   15    H4*    G   2           H4*        G   2   1.576 -43.071 -10.804
   16    H3*    G   2           H3*        G   2   2.152 -40.840  -8.854
   17    H2*    G   2           H2*        G   2  -0.111 -40.574  -8.399
   18   2HO*    G   2          2HO*        G   2  -0.664 -41.841 -10.892
   19    H1*    G   2           H1*        G   2  -0.961 -43.220  -8.996
   20    H8     G   2           H8         G   2   1.718 -43.134  -6.331
   21    H1     G   2           H1         G   2  -4.159 -41.940  -4.081
   22   1H2     G   2          1H2         G   2  -5.568 -41.642  -5.764
   23   2H2     G   2          2H2         G   2  -5.064 -41.731  -7.437
   24   1H5*    G   3          1H5*        G   3  -0.534 -39.939 -11.604
   25   2H5*    G   3          2H5*        G   3  -0.382 -38.544 -12.692
   26    H4*    G   3           H4*        G   3  -2.634 -38.544 -11.939
   27    H3*    G   3           H3*        G   3  -0.924 -36.492 -10.548
   28    H2*    G   3           H2*        G   3  -2.643 -35.918  -9.073
   29   2HO*    G   3          2HO*        G   3  -4.440 -37.163 -10.904
   30    H1*    G   3           H1*        G   3  -3.861 -38.404  -8.818
   31    H8     G   3           H8         G   3  -0.029 -38.381  -8.534
   32    H1     G   3           H1         G   3  -3.119 -37.404  -3.011
   33   1H2     G   3          1H2         G   3  -5.290 -37.174  -3.394
   34   2H2     G   3          2H2         G   3  -5.979 -37.257  -4.998
   35   1H5*    A   4          1H5*        A   4  -4.493 -35.315 -11.161
   36   2H5*    A   4          2H5*        A   4  -4.860 -33.982 -12.274
   37    H4*    A   4           H4*        A   4  -6.312 -33.646 -10.454
   38    H3*    A   4           H3*        A   4  -3.888 -31.870 -10.285
   39    H2*    A   4           H2*        A   4  -4.440 -31.133  -8.148
   40   2HO*    A   4          2HO*        A   4  -7.074 -32.105  -8.216
   41    H1*    A   4           H1*        A   4  -5.780 -33.410  -7.210
   42    H8     A   4           H8         A   4  -2.265 -33.704  -8.806
   43   1H6     A   4          1H6         A   4  -0.149 -33.530  -3.007
   44   2H6     A   4          2H6         A   4   0.281 -33.734  -4.689
   45    H2     A   4           H2         A   4  -4.593 -32.861  -2.875
   46   1H5*    U   5          1H5*        U   5  -7.261 -29.843  -8.796
   47   2H5*    U   5          2H5*        U   5  -7.268 -28.141  -9.304
   48    H4*    U   5           H4*        U   5  -7.340 -28.490  -6.816
   49    H3*    U   5           H3*        U   5  -5.182 -26.874  -8.141
   50    H2*    U   5           H2*        U   5  -3.927 -26.700  -6.201
   51   2HO*    U   5          2HO*        U   5  -5.224 -27.245  -4.113
   52    H1*    U   5           H1*        U   5  -4.791 -29.036  -4.869
   53    H3     U   5           H3         U   5  -0.383 -29.885  -4.904
   54    H5     U   5           H5         U   5  -1.377 -29.760  -8.999
   55    H6     U   5           H6         U   5  -3.624 -29.099  -8.365
   56   1H5*    A   6          1H5*        A   6  -8.237 -21.817  -6.968
   57   2H5*    A   6          2H5*        A   6  -6.497 -21.876  -6.621
   58    H4*    A   6           H4*        A   6  -8.539 -23.023  -4.711
   59    H3*    A   6           H3*        A   6  -8.465 -20.286  -5.287
   60    H2*    A   6           H2*        A   6  -6.422 -19.708  -4.358
   61   2HO*    A   6          2HO*        A   6  -6.854 -19.989  -1.798
   62    H1*    A   6           H1*        A   6  -6.350 -21.878  -2.321
   63    H8     A   6           H8         A   6  -4.504 -21.213  -5.691
   64   1H6     A   6          1H6         A   6   0.590 -20.866  -2.209
   65   2H6     A   6          2H6         A   6  -0.041 -20.802  -3.839
   66    H2     A   6           H2         A   6  -2.909 -21.529   0.525
   67   1H5*    U   7          1H5*        U   7 -10.367 -21.978   0.074
   68   2H5*    U   7          2H5*        U   7 -10.287 -20.204   0.102
   69    H4*    U   7           H4*        U   7  -9.484 -20.880   2.215
   70    H3*    U   7           H3*        U   7  -7.725 -19.506   0.580
   71    H2*    U   7           H2*        U   7  -6.363 -21.294  -0.086
   72   2HO*    U   7          2HO*        U   7  -4.548 -21.193   1.080
   73    H1*    U   7           H1*        U   7  -6.596 -22.717   2.542
   74    H3     U   7           H3         U   7  -7.685 -26.681  -0.124
   75    H5     U   7           H5         U   7  -4.164 -24.731  -1.376
   76    H6     U   7           H6         U   7  -4.800 -22.836   0.003
   77   1H5*    G   8          1H5*        G   8  -4.146 -20.298   3.040
   78   2H5*    G   8          2H5*        G   8  -4.279 -18.850   4.058
   79    H4*    G   8           H4*        G   8  -2.002 -18.996   3.360
   80    H3*    G   8           H3*        G   8  -3.600 -16.879   1.947
   81    H2*    G   8           H2*        G   8  -1.894 -16.415   0.433
   82   2HO*    G   8          2HO*        G   8  -0.004 -16.127   1.292
   83    H1*    G   8           H1*        G   8  -0.748 -18.936   0.217
   84    H8     G   8           H8         G   8  -4.486 -19.249  -0.097
   85    H1     G   8           H1         G   8  -1.702 -17.209  -5.481
   86   1H2     G   8          1H2         G   8   0.415 -16.691  -5.097
   87   2H2     G   8          2H2         G   8   1.148 -16.848  -3.517
   88   1H5*    G   9          1H5*        G   9  -2.968 -12.581   2.500
   89   2H5*    G   9          2H5*        G   9  -4.024 -13.094   1.168
   90    H4*    G   9           H4*        G   9  -1.080 -12.532   1.174
   91    H3*    G   9           H3*        G   9  -3.454 -11.723  -0.452
   92    H2*    G   9           H2*        G   9  -2.366 -11.933  -2.510
   93   2HO*    G   9          2HO*        G   9   0.057 -12.236  -2.435
   94    H1*    G   9           H1*        G   9  -0.804 -14.113  -2.040
   95    H8     G   9           H8         G   9  -3.756 -15.344  -0.330
   96    H1     G   9           H1         G   9  -4.936 -14.780  -6.595
   97   1H2     G   9          1H2         G   9  -3.360 -13.536  -7.553
   98   2H2     G   9          2H2         G   9  -2.020 -12.857  -6.659
   99   1H5*    A  10          1H5*        A  10  -0.712  -8.511  -1.077
  100   2H5*    A  10          2H5*        A  10  -1.356  -6.875  -0.830
  101    H4*    A  10           H4*        A  10  -0.560  -7.202  -3.137
  102    H3*    A  10           H3*        A  10  -3.502  -6.723  -2.686
  103    H2*    A  10           H2*        A  10  -3.980  -7.033  -4.954
  104   2HO*    A  10          2HO*        A  10  -1.747  -7.181  -6.278
  105    H1*    A  10           H1*        A  10  -2.062  -8.956  -5.546
  106    H8     A  10           H8         A  10  -3.689 -10.091  -2.386
  107   1H6     A  10          1H6         A  10  -8.399 -12.162  -5.804
  108   2H6     A  10          2H6         A  10  -7.667 -12.157  -4.215
  109    H2     A  10           H2         A  10  -5.784  -9.632  -8.443
  110   1H5*    A  11          1H5*        A  11  -2.027  -3.690  -5.612
  111   2H5*    A  11          2H5*        A  11  -2.874  -2.150  -5.370
  112    H4*    A  11           H4*        A  11  -3.006  -3.071  -7.709
  113    H3*    A  11           H3*        A  11  -5.515  -2.524  -6.116
  114    H2*    A  11           H2*        A  11  -6.845  -3.318  -7.887
  115   2HO*    A  11          2HO*        A  11  -5.833  -3.722  -9.994
  116    H1*    A  11           H1*        A  11  -5.219  -5.397  -8.697
  117    H8     A  11           H8         A  11  -5.345  -5.319  -4.912
  118   1H6     A  11          1H6         A  11 -10.624  -8.504  -5.360
  119   2H6     A  11          2H6         A  11  -9.396  -7.906  -4.267
  120    H2     A  11           H2         A  11  -9.466  -7.153  -9.484
  121   1H5*    G  12          1H5*        G  12  -6.342   0.221  -9.507
  122   2H5*    G  12          2H5*        G  12  -6.995   1.688  -8.752
  123    H4*    G  12           H4*        G  12  -8.569   0.592 -10.353
  124    H3*    G  12           H3*        G  12  -9.362   0.873  -7.446
  125    H2*    G  12           H2*        G  12 -11.404  -0.200  -7.890
  126   2HO*    G  12          2HO*        G  12 -10.914   0.228 -10.668
  127    H1*    G  12           H1*        G  12 -10.483  -2.002  -9.795
  128    H8     G  12           H8         G  12  -8.140  -1.916  -6.819
  129    H1     G  12           H1         G  12 -13.376  -5.465  -5.841
  130   1H2     G  12          1H2         G  12 -14.828  -5.142  -7.493
  131   2H2     G  12          2H2         G  12 -14.507  -4.055  -8.824
  132   1H5*    A  13          1H5*        A  13 -12.491   1.599  -9.204
  133   2H5*    A  13          2H5*        A  13 -12.992   3.298  -9.308
  134    H4*    A  13           H4*        A  13 -15.012   2.363  -8.781
  135    H3*    A  13           H3*        A  13 -13.650   2.881  -6.139
  136    H2*    A  13           H2*        A  13 -15.318   1.725  -4.978
  137   2HO*    A  13          2HO*        A  13 -17.223   1.213  -6.756
  138    H1*    A  13           H1*        A  13 -15.918  -0.203  -6.892
  139    H8     A  13           H8         A  13 -12.222   0.519  -5.991
  140   1H6     A  13          1H6         A  13 -12.763  -4.258  -2.110
  141   2H6     A  13          2H6         A  13 -11.665  -3.086  -2.803
  142    H2     A  13           H2         A  13 -16.812  -3.452  -3.886
  143   1H5*    A  14          1H5*        A  14 -18.156   4.101  -6.286
  144   2H5*    A  14          2H5*        A  14 -18.248   5.567  -5.290
  145    H4*    A  14           H4*        A  14 -20.000   3.859  -4.757
  146    H3*    A  14           H3*        A  14 -18.044   4.760  -2.644
  147    H2*    A  14           H2*        A  14 -18.919   3.237  -1.092
  148   2HO*    A  14          2HO*        A  14 -21.168   2.854  -2.798
  149    H1*    A  14           H1*        A  14 -19.480   1.149  -2.816
  150    H8     A  14           H8         A  14 -16.100   2.921  -3.325
  151   1H6     A  14          1H6         A  14 -13.793  -1.326   0.514
  152   2H6     A  14          2H6         A  14 -13.414  -0.000  -0.561
  153    H2     A  14           H2         A  14 -18.263  -1.823   0.430
  154   1H5*    C  15          1H5*        C  15 -22.011   5.173  -0.649
  155   2H5*    C  15          2H5*        C  15 -21.914   6.687   0.272
  156    H4*    C  15           H4*        C  15 -22.509   4.750   1.694
  157    H3*    C  15           H3*        C  15 -19.880   6.146   2.225
  158    H2*    C  15           H2*        C  15 -19.401   4.626   3.935
  159   2HO*    C  15          2HO*        C  15 -22.074   4.761   4.299
  160    H1*    C  15           H1*        C  15 -20.722   2.391   2.851
  161   1H4     C  15          1H4         C  15 -14.557   1.084   2.055
  162   2H4     C  15          2H4         C  15 -14.405   2.346   0.853
  163    H5     C  15           H5         C  15 -16.211   3.824   0.256
  164    H6     C  15           H6         C  15 -18.544   4.429   0.701
  165   1H5*    C  16          1H5*        C  16 -21.586   5.795   6.083
  166   2H5*    C  16          2H5*        C  16 -21.296   7.308   6.965
  167    H4*    C  16           H4*        C  16 -20.322   5.388   8.148
  168    H3*    C  16           H3*        C  16 -18.415   7.432   7.005
  169    H2*    C  16           H2*        C  16 -16.580   6.169   7.687
  170   2HO*    C  16          2HO*        C  16 -16.714   5.674   9.734
  171    H1*    C  16           H1*        C  16 -17.760   3.615   7.523
  172   1H4     C  16          1H4         C  16 -13.689   3.717   2.658
  173   2H4     C  16          2H4         C  16 -14.584   4.998   1.871
  174    H5     C  16           H5         C  16 -16.532   6.038   2.843
  175    H6     C  16           H6         C  16 -18.019   6.095   4.792
  176   1H5*    G  17          1H5*        G  17 -17.977   6.711  11.715
  177   2H5*    G  17          2H5*        G  17 -17.669   8.360  12.296
  178    H4*    G  17           H4*        G  17 -16.203   6.767  13.427
  179    H3*    G  17           H3*        G  17 -14.889   8.713  11.528
  180    H2*    G  17           H2*        G  17 -12.794   7.726  11.883
  181   2HO*    G  17          2HO*        G  17 -12.653   6.111  13.711
  182    H1*    G  17           H1*        G  17 -13.617   5.090  12.159
  183    H8     G  17           H8         G  17 -15.277   6.915   9.251
  184    H1     G  17           H1         G  17  -9.578   4.389   7.805
  185   1H2     G  17          1H2         G  17  -8.586   3.642   9.653
  186   2H2     G  17          2H2         G  17  -9.322   3.775  11.233
  187   1H5*    G  18          1H5*        G  18 -12.355   7.955  14.453
  188   2H5*    G  18          2H5*        G  18 -11.995   9.399  15.418
  189    H4*    G  18           H4*        G  18  -9.917   8.294  14.945
  190    H3*    G  18           H3*        G  18 -10.355  10.814  13.341
  191    H2*    G  18           H2*        G  18  -8.412  10.447  12.123
  192   2HO*    G  18          2HO*        G  18  -7.024   8.594  13.375
  193    H1*    G  18           H1*        G  18  -8.306   7.618  12.359
  194    H8     G  18           H8         G  18 -11.476   9.120  10.831
  195    H1     G  18           H1         G  18  -6.806   7.992   6.607
  196   1H2     G  18          1H2         G  18  -4.943   7.413   7.666
  197   2H2     G  18          2H2         G  18  -4.851   7.306   9.409
  198   1H5*    G  19          1H5*        G  19  -6.188  10.290  14.612
  199   2H5*    G  19          2H5*        G  19  -5.739  11.800  15.430
  200    H4*    G  19           H4*        G  19  -4.001  11.094  13.846
  201    H3*    G  19           H3*        G  19  -5.499  13.641  13.241
  202    H2*    G  19           H2*        G  19  -4.433  13.870  11.188
  203   2HO*    G  19          2HO*        G  19  -2.331  13.865  11.752
  204    H1*    G  19           H1*        G  19  -3.895  11.137  10.679
  205    H8     G  19           H8         G  19  -7.504  12.304  11.371
  206    H1     G  19           H1         G  19  -5.864  12.166   5.183
  207   1H2     G  19          1H2         G  19  -3.700  11.726   4.978
  208   2H2     G  19          2H2         G  19  -2.660  11.465   6.361
  209   1H5*    G  20          1H5*        G  20  -3.594  17.621  13.333
  210   2H5*    G  20          2H5*        G  20  -5.205  17.519  12.591
  211    H4*    G  20           H4*        G  20  -2.511  17.069  11.404
  212    H3*    G  20           H3*        G  20  -5.103  18.333  10.561
  213    H2*    G  20           H2*        G  20  -4.861  17.664   8.328
  214   2HO*    G  20          2HO*        G  20  -2.764  18.323   7.952
  215    H1*    G  20           H1*        G  20  -3.783  15.182   8.703
  216    H8     G  20           H8         G  20  -6.230  15.108  11.416
  217    H1     G  20           H1         G  20  -9.191  15.224   5.744
  218   1H2     G  20          1H2         G  20  -7.756  15.748   4.149
  219   2H2     G  20          2H2         G  20  -6.069  16.076   4.474
  220   1H5*    A  21          1H5*        A  21  -5.749  22.349  10.459
  221   2H5*    A  21          2H5*        A  21  -6.541  21.020   9.590
  222    H4*    A  21           H4*        A  21  -6.731  23.458   8.673
  223    H3*    A  21           H3*        A  21  -6.344  20.923   7.153
  224    H2*    A  21           H2*        A  21  -5.648  21.941   5.173
  225   2HO*    A  21          2HO*        A  21  -6.638  24.442   6.096
  226    H1*    A  21           H1*        A  21  -4.278  24.104   6.131
  227    H8     A  21           H8         A  21  -3.561  21.016   8.243
  228   1H6     A  21          1H6         A  21   0.985  19.801   4.247
  229   2H6     A  21          2H6         A  21   0.257  19.360   5.778
  230    H2     A  21           H2         A  21  -1.453  23.181   2.572
  231   1H5*    A  22          1H5*        A  22  -9.270  19.588   3.995
  232   2H5*    A  22          2H5*        A  22  -7.743  18.695   4.143
  233    H4*    A  22           H4*        A  22  -8.409  21.112   2.518
  234    H3*    A  22           H3*        A  22  -7.218  18.475   2.042
  235    H2*    A  22           H2*        A  22  -5.143  19.093   1.243
  236   2HO*    A  22          2HO*        A  22  -5.707  20.234  -0.524
  237    H1*    A  22           H1*        A  22  -4.703  21.556   2.356
  238    H8     A  22           H8         A  22  -5.939  19.783   5.318
  239   1H6     A  22          1H6         A  22  -0.482  16.926   5.730
  240   2H6     A  22          2H6         A  22  -1.973  17.307   6.561
  241    H2     A  22           H2         A  22  -0.755  18.805   1.654
  242   1H5*    A  23          1H5*        A  23  -8.186  16.492  -2.063
  243   2H5*    A  23          2H5*        A  23  -7.634  15.418  -0.765
  244    H4*    A  23           H4*        A  23  -6.110  16.763  -2.858
  245    H3*    A  23           H3*        A  23  -5.745  14.411  -1.047
  246    H2*    A  23           H2*        A  23  -3.430  14.677  -0.821
  247   2HO*    A  23          2HO*        A  23  -2.556  16.493  -2.396
  248    H1*    A  23           H1*        A  23  -3.235  17.374  -0.714
  249    H8     A  23           H8         A  23  -6.429  16.613   1.093
  250   1H6     A  23          1H6         A  23  -3.013  15.295   6.067
  251   2H6     A  23          2H6         A  23  -4.634  15.601   5.479
  252    H2     A  23           H2         A  23  -0.242  15.667   2.533
  253   1H5*    C  24          1H5*        C  24  -3.777  12.764  -3.650
  254   2H5*    C  24          2H5*        C  24  -4.051  11.035  -3.945
  255    H4*    C  24           H4*        C  24  -2.247  11.547  -2.266
  256    H3*    C  24           H3*        C  24  -4.637   9.865  -1.498
  257    H2*    C  24           H2*        C  24  -3.843   9.685   0.695
  258   2HO*    C  24          2HO*        C  24  -1.663  10.014   1.232
  259    H1*    C  24           H1*        C  24  -2.606  12.194   0.876
  260   1H4     C  24          1H4         C  24  -7.964  12.726   4.273
  261   2H4     C  24          2H4         C  24  -8.906  12.849   2.803
  262    H5     C  24           H5         C  24  -7.956  12.609   0.601
  263    H6     C  24           H6         C  24  -5.902  12.204  -0.668
  264   1H5*    U  25          1H5*        U  25  -1.765   8.258  -0.013
  265   2H5*    U  25          2H5*        U  25  -1.249   6.593  -0.346
  266    H4*    U  25           H4*        U  25  -1.365   6.756   2.011
  267    H3*    U  25           H3*        U  25  -3.819   5.401   0.881
  268    H2*    U  25           H2*        U  25  -4.772   5.279   3.011
  269   2HO*    U  25          2HO*        U  25  -2.797   5.921   4.692
  270    H1*    U  25           H1*        U  25  -3.546   7.575   4.119
  271    H3     U  25           H3         U  25  -7.924   8.486   4.729
  272    H5     U  25           H5         U  25  -7.414   8.733   0.553
  273    H6     U  25           H6         U  25  -5.146   7.927   0.848
  274   1H5*    U  26          1H5*        U  26  -2.301   3.830   4.064
  275   2H5*    U  26          2H5*        U  26  -1.627   2.187   4.082
  276    H4*    U  26           H4*        U  26  -2.704   2.244   6.125
  277    H3*    U  26           H3*        U  26  -4.694   1.203   4.103
  278    H2*    U  26           H2*        U  26  -6.369   1.177   5.731
  279   2HO*    U  26          2HO*        U  26  -5.352   1.666   8.053
  280    H1*    U  26           H1*        U  26  -5.559   3.410   7.187
  281    H3     U  26           H3         U  26  -9.504   4.957   5.686
  282    H5     U  26           H5         U  26  -7.347   4.235   2.140
  283    H6     U  26           H6         U  26  -5.554   3.319   3.493
  284   1H5*    G  27          1H5*        G  27  -4.895  -0.858   7.571
  285   2H5*    G  27          2H5*        G  27  -5.418  -2.552   7.490
  286    H4*    G  27           H4*        G  27  -6.952  -1.083   8.805
  287    H3*    G  27           H3*        G  27  -8.028  -2.443   6.322
  288    H2*    G  27           H2*        G  27 -10.101  -1.442   6.703
  289   2HO*    G  27          2HO*        G  27 -10.915  -1.445   8.636
  290    H1*    G  27           H1*        G  27  -9.130   0.860   8.060
  291    H8     G  27           H8         G  27  -7.842   0.165   4.503
  292    H1     G  27           H1         G  27 -13.221   3.624   4.790
  293   1H2     G  27          1H2         G  27 -13.979   3.667   6.876
  294   2H2     G  27          2H2         G  27 -13.158   2.851   8.188
  295   1H5*    G  28          1H5*        G  28 -10.539  -4.069   9.893
  296   2H5*    G  28          2H5*        G  28 -10.496  -5.817   9.586
  297    H4*    G  28           H4*        G  28 -12.766  -5.292  10.036
  298    H3*    G  28           H3*        G  28 -12.239  -5.636   7.083
  299    H2*    G  28           H2*        G  28 -14.464  -5.064   6.574
  300   2HO*    G  28          2HO*        G  28 -15.982  -4.826   8.460
  301    H1*    G  28           H1*        G  28 -14.803  -3.068   8.428
  302    H8     G  28           H8         G  28 -11.377  -3.217   6.668
  303    H1     G  28           H1         G  28 -15.764   0.324   3.635
  304   1H2     G  28          1H2         G  28 -17.721   0.157   4.676
  305   2H2     G  28          2H2         G  28 -17.955  -0.849   6.086
  306   1H5*    U  29          1H5*        U  29 -15.954  -7.726   7.582
  307   2H5*    U  29          2H5*        U  29 -15.729  -9.304   6.803
  308    H4*    U  29           H4*        U  29 -17.700  -8.128   5.915
  309    H3*    U  29           H3*        U  29 -15.382  -8.538   4.014
  310    H2*    U  29           H2*        U  29 -16.551  -7.415   2.335
  311   2HO*    U  29          2HO*        U  29 -19.028  -7.107   3.213
  312    H1*    U  29           H1*        U  29 -18.027  -5.672   3.995
  313    H3     U  29           H3         U  29 -15.806  -2.838   1.250
  314    H5     U  29           H5         U  29 -12.773  -4.513   3.656
  315    H6     U  29           H6         U  29 -14.438  -6.000   4.605
  316   1H5*    U  30          1H5*        U  30 -19.378 -10.110   2.407
  317   2H5*    U  30          2H5*        U  30 -19.004 -11.463   1.320
  318    H4*    U  30           H4*        U  30 -20.498  -9.696   0.329
  319    H3*    U  30           H3*        U  30 -17.844 -10.338  -0.981
  320    H2*    U  30           H2*        U  30 -18.325  -8.760  -2.665
  321   2HO*    U  30          2HO*        U  30 -21.001  -9.045  -1.774
  322    H1*    U  30           H1*        U  30 -19.529  -6.867  -1.043
  323    H3     U  30           H3         U  30 -15.709  -4.838  -2.370
  324    H5     U  30           H5         U  30 -14.424  -7.708   0.438
  325    H6     U  30           H6         U  30 -16.694  -8.570   0.494
  326   1H5*    C  31          1H5*        C  31 -20.533 -10.544  -4.143
  327   2H5*    C  31          2H5*        C  31 -20.040 -11.788  -5.308
  328    H4*    C  31           H4*        C  31 -20.065  -9.440  -6.214
  329    H3*    C  31           H3*        C  31 -17.485 -11.028  -6.242
  330    H2*    C  31           H2*        C  31 -16.400  -9.211  -7.222
  331   2HO*    C  31          2HO*        C  31 -18.827  -7.941  -7.916
  332    H1*    C  31           H1*        C  31 -18.019  -7.173  -6.092
  333   1H4     C  31          1H4         C  31 -12.315  -6.522  -3.355
  334   2H4     C  31          2H4         C  31 -12.615  -7.921  -2.347
  335    H5     C  31           H5         C  31 -14.583  -9.298  -2.550
  336    H6     C  31           H6         C  31 -16.674  -9.646  -3.780
  337   1H5*    U  32          1H5*        U  32 -17.935 -10.038 -10.556
  338   2H5*    U  32          2H5*        U  32 -17.688 -11.592 -11.377
  339    H4*    U  32           H4*        U  32 -16.190  -9.943 -12.326
  340    H3*    U  32           H3*        U  32 -14.894 -12.080 -10.640
  341    H2*    U  32           H2*        U  32 -12.798 -11.069 -10.832
  342   2HO*    U  32          2HO*        U  32 -13.877  -9.804 -13.139
  343    H1*    U  32           H1*        U  32 -13.610  -8.402 -10.949
  344    H3     U  32           H3         U  32 -11.214  -8.388  -7.140
  345    H5     U  32           H5         U  32 -14.545 -10.783  -6.194
  346    H6     U  32           H6         U  32 -15.237 -10.617  -8.514
  347   1H5*    U  33          1H5*        U  33 -12.851 -11.228 -14.570
  348   2H5*    U  33          2H5*        U  33 -12.271 -12.766 -15.238
  349    H4*    U  33           H4*        U  33 -10.557 -10.941 -15.239
  350    H3*    U  33           H3*        U  33 -10.073 -13.530 -13.782
  351    H2*    U  33           H2*        U  33  -8.112 -12.750 -12.817
  352   2HO*    U  33          2HO*        U  33  -7.525 -12.001 -15.135
  353    H1*    U  33           H1*        U  33  -8.692  -9.990 -12.768
  354    H3     U  33           H3         U  33  -7.864 -10.749  -8.399
  355    H5     U  33           H5         U  33 -11.404 -12.915  -9.140
  356    H6     U  33           H6         U  33 -11.168 -12.371 -11.493
  357   1H5*    C  34          1H5*        C  34  -5.354 -15.070 -15.657
  358   2H5*    C  34          2H5*        C  34  -6.297 -15.161 -14.156
  359    H4*    C  34           H4*        C  34  -4.344 -12.933 -14.819
  360    H3*    C  34           H3*        C  34  -3.906 -15.556 -13.427
  361    H2*    C  34           H2*        C  34  -2.896 -14.582 -11.578
  362   2HO*    C  34          2HO*        C  34  -1.268 -13.463 -12.521
  363    H1*    C  34           H1*        C  34  -4.153 -12.078 -11.597
  364   1H4     C  34          1H4         C  34  -6.566 -15.469  -6.726
  365   2H4     C  34          2H4         C  34  -7.908 -15.904  -7.762
  366    H5     C  34           H5         C  34  -7.999 -15.364 -10.105
  367    H6     C  34           H6         C  34  -6.816 -14.307 -11.973
  368   1H5*    C  35          1H5*        C  35   0.899 -16.906 -13.704
  369   2H5*    C  35          2H5*        C  35  -0.313 -17.436 -12.521
  370    H4*    C  35           H4*        C  35   2.005 -15.543 -12.151
  371    H3*    C  35           H3*        C  35   1.199 -18.182 -11.039
  372    H2*    C  35           H2*        C  35   1.433 -17.606  -8.802
  373   2HO*    C  35          2HO*        C  35   2.951 -16.237  -8.083
  374    H1*    C  35           H1*        C  35   0.798 -14.931  -8.841
  375   1H4     C  35          1H4         C  35  -4.448 -18.055  -6.926
  376   2H4     C  35          2H4         C  35  -5.044 -17.970  -8.568
  377    H5     C  35           H5         C  35  -3.727 -17.162 -10.410
  378    H6     C  35           H6         C  35  -1.554 -16.253 -11.082
  379   1H5*    U  36          1H5*        U  36   5.294 -20.380 -11.000
  380   2H5*    U  36          2H5*        U  36   4.211 -21.765 -10.759
  381    H4*    U  36           H4*        U  36   5.269 -19.841  -8.820
  382    H3*    U  36           H3*        U  36   4.109 -22.615  -8.755
  383    H2*    U  36           H2*        U  36   3.222 -22.340  -6.640
  384   2HO*    U  36          2HO*        U  36   4.617 -21.779  -5.188
  385    H1*    U  36           H1*        U  36   3.059 -19.495  -6.577
  386    H3     U  36           H3         U  36  -0.921 -21.449  -5.226
  387    H5     U  36           H5         U  36  -1.102 -21.058  -9.419
  388    H6     U  36           H6         U  36   1.258 -20.494  -9.401
  389   1H5*    A  37          1H5*        A  37   6.654 -26.173  -6.631
  390   2H5*    A  37          2H5*        A  37   5.106 -25.595  -7.280
  391    H4*    A  37           H4*        A  37   5.875 -25.129  -4.396
  392    H3*    A  37           H3*        A  37   5.614 -27.721  -5.323
  393    H2*    A  37           H2*        A  37   3.388 -27.673  -6.037
  394   2HO*    A  37          2HO*        A  37   3.637 -28.531  -3.544
  395    H1*    A  37           H1*        A  37   2.477 -25.746  -3.942
  396    H8     A  37           H8         A  37   2.965 -25.631  -7.813
  397   1H6     A  37          1H6         A  37  -3.118 -24.573  -8.001
  398   2H6     A  37          2H6         A  37  -1.657 -24.740  -8.949
  399    H2     A  37           H2         A  37  -1.948 -25.154  -3.699
  400   1H5*    A  38          1H5*        A  38   7.394 -26.510  -0.690
  401   2H5*    A  38          2H5*        A  38   8.036 -28.094  -0.209
  402    H4*    A  38           H4*        A  38   7.269 -27.266   1.814
  403    H3*    A  38           H3*        A  38   5.195 -29.011   0.554
  404    H2*    A  38           H2*        A  38   3.468 -28.318   1.950
  405   2HO*    A  38          2HO*        A  38   5.027 -28.661   3.826
  406    H1*    A  38           H1*        A  38   4.194 -25.698   2.422
  407    H8     A  38           H8         A  38   4.633 -26.283  -1.261
  408   1H6     A  38          1H6         A  38  -1.440 -25.334  -1.861
  409   2H6     A  38          2H6         A  38   0.079 -25.516  -2.711
  410    H2     A  38           H2         A  38  -0.529 -25.713   2.524
  411   1H5*    G  39          1H5*        G  39   4.456 -31.506   4.538
  412   2H5*    G  39          2H5*        G  39   3.460 -32.574   3.527
  413    H4*    G  39           H4*        G  39   2.583 -30.512   5.233
  414    H3*    G  39           H3*        G  39   1.286 -32.369   3.274
  415    H2*    G  39           H2*        G  39  -0.577 -31.006   2.942
  416   2HO*    G  39          2HO*        G  39   0.049 -29.386   5.177
  417    H1*    G  39           H1*        G  39   0.572 -28.518   3.157
  418    H8     G  39           H8         G  39   3.042 -30.291   1.069
  419    H1     G  39           H1         G  39  -2.331 -29.070  -2.189
  420   1H2     G  39          1H2         G  39  -3.948 -28.469  -0.791
  421   2H2     G  39          2H2         G  39  -3.704 -28.370   0.939
  422   1H5*    U  40          1H5*        U  40  -2.197 -32.068   6.207
  423   2H5*    U  40          2H5*        U  40  -2.484 -33.800   6.473
  424    H4*    U  40           H4*        U  40  -4.498 -32.524   5.693
  425    H3*    U  40           H3*        U  40  -3.429 -34.897   4.196
  426    H2*    U  40           H2*        U  40  -4.852 -34.573   2.373
  427   2HO*    U  40          2HO*        U  40  -6.573 -32.708   2.985
  428    H1*    U  40           H1*        U  40  -4.957 -31.820   2.329
  429    H3     U  40           H3         U  40  -2.763 -33.001  -1.480
  430    H5     U  40           H5         U  40   0.131 -33.325   1.568
  431    H6     U  40           H6         U  40  -1.632 -32.943   3.191
  432   1H5*    C  41          1H5*        C  41  -7.301 -35.014   4.172
  433   2H5*    C  41          2H5*        C  41  -8.227 -36.392   4.803
  434    H4*    C  41           H4*        C  41  -9.118 -35.941   2.649
  435    H3*    C  41           H3*        C  41  -7.248 -38.308   2.647
  436    H2*    C  41           H2*        C  41  -7.425 -38.524   0.328
  437   2HO*    C  41          2HO*        C  41  -9.211 -37.217  -0.739
  438    H1*    C  41           H1*        C  41  -7.733 -35.827  -0.326
  439   1H4     C  41          1H4         C  41  -1.714 -37.150  -1.880
  440   2H4     C  41          2H4         C  41  -1.267 -37.268  -0.193
  441    H5     C  41           H5         C  41  -2.849 -37.065   1.610
  442    H6     C  41           H6         C  41  -5.208 -36.725   2.187
  443   1H5*    C  42          1H5*        C  42 -10.426 -38.724   0.336
  444   2H5*    C  42          2H5*        C  42 -11.519 -40.093   0.623
  445    H4*    C  42           H4*        C  42 -11.230 -39.913  -1.741
  446    H3*    C  42           H3*        C  42  -9.674 -42.191  -0.516
  447    H2*    C  42           H2*        C  42  -8.728 -42.727  -2.596
  448   2HO*    C  42          2HO*        C  42 -10.320 -40.961  -4.076
  449    H1*    C  42           H1*        C  42  -8.416 -40.162  -3.575
  450   1H4     C  42          1H4         C  42  -2.673 -41.609  -1.252
  451   2H4     C  42          2H4         C  42  -3.266 -41.472   0.387
  452    H5     C  42           H5         C  42  -5.570 -41.041   0.926
  453    H6     C  42           H6         C  42  -7.810 -40.655   0.014
  454   1H5*    U  43          1H5*        U  43 -10.838 -43.195  -4.110
  455   2H5*    U  43          2H5*        U  43 -11.643 -44.770  -4.242
  456    H4*    U  43           H4*        U  43  -9.761 -44.593  -5.810
  457    H3*    U  43           H3*        U  43  -9.538 -46.587  -3.568
  458    H2*    U  43           H2*        U  43  -7.329 -46.990  -4.015
  459   2HO*    U  43          2HO*        U  43  -7.187 -47.892  -5.912
  460    H1*    U  43           H1*        U  43  -6.899 -44.666  -5.726
  461    H3     U  43           H3         U  43  -2.949 -44.669  -3.590
  462    H5     U  43           H5         U  43  -5.751 -44.163  -0.477
  463    H6     U  43           H6         U  43  -7.517 -44.486  -2.110
  464    H3T    U  43           H3T        U  43  -9.797 -47.981  -5.378
  465   1H5*    G  44          1H5*        G  44 -10.456  42.214   3.852
  466   2H5*    G  44          2H5*        G  44 -10.135  40.585   3.221
  467    H4*    G  44           H4*        G  44 -10.157  42.169   1.386
  468    H3*    G  44           H3*        G  44  -7.581  40.839   2.086
  469    H2*    G  44           H2*        G  44  -6.234  42.261   0.817
  470   2HO*    G  44          2HO*        G  44  -8.496  43.333  -0.523
  471    H1*    G  44           H1*        G  44  -7.511  44.641   1.161
  472    H8     G  44           H8         G  44  -7.702  42.806   4.455
  473    H1     G  44           H1         G  44  -1.999  45.545   3.453
  474   1H2     G  44          1H2         G  44  -1.870  46.281   1.364
  475   2H2     G  44          2H2         G  44  -3.178  46.098   0.217
  476    H5T    G  44           H5T        G  44  -8.388  40.515   4.356
  477   1H5*    G  45          1H5*        G  45  -6.749  41.659  -1.482
  478   2H5*    G  45          2H5*        G  45  -6.588  40.228  -2.519
  479    H4*    G  45           H4*        G  45  -4.620  41.597  -2.786
  480    H3*    G  45           H3*        G  45  -4.186  39.051  -1.223
  481    H2*    G  45           H2*        G  45  -1.984  39.639  -0.772
  482   2HO*    G  45          2HO*        G  45  -0.854  41.159  -2.141
  483    H1*    G  45           H1*        G  45  -2.276  42.462  -0.930
  484    H8     G  45           H8         G  45  -4.495  40.642   1.599
  485    H1     G  45           H1         G  45   1.263  42.328   3.849
  486   1H2     G  45          1H2         G  45   2.535  43.059   2.199
  487   2H2     G  45          2H2         G  45   1.969  43.152   0.546
  488   1H5*    G  46          1H5*        G  46  -1.441  39.700  -4.187
  489   2H5*    G  46          2H5*        G  46  -0.943  38.371  -5.254
  490    H4*    G  46           H4*        G  46   1.018  39.506  -4.356
  491    H3*    G  46           H3*        G  46   0.518  36.697  -3.376
  492    H2*    G  46           H2*        G  46   2.330  36.817  -1.910
  493   2HO*    G  46          2HO*        G  46   3.262  38.853  -3.651
  494    H1*    G  46           H1*        G  46   2.206  39.549  -1.311
  495    H8     G  46           H8         G  46  -1.108  37.642  -1.033
  496    H1     G  46           H1         G  46   2.483  37.496   4.267
  497   1H2     G  46          1H2         G  46   4.472  38.385   3.853
  498   2H2     G  46          2H2         G  46   4.917  39.007   2.281
  499   1H5*    A  47          1H5*        A  47   4.646  36.941  -4.713
  500   2H5*    A  47          2H5*        A  47   5.033  35.556  -5.752
  501    H4*    A  47           H4*        A  47   6.727  35.808  -4.017
  502    H3*    A  47           H3*        A  47   4.942  33.385  -3.827
  503    H2*    A  47           H2*        A  47   5.882  32.758  -1.792
  504   2HO*    A  47          2HO*        A  47   7.972  33.214  -1.229
  505    H1*    A  47           H1*        A  47   6.606  35.314  -0.848
  506    H8     A  47           H8         A  47   2.967  34.709  -1.957
  507   1H6     A  47          1H6         A  47   1.862  33.363   3.970
  508   2H6     A  47          2H6         A  47   1.145  33.604   2.392
  509    H2     A  47           H2         A  47   6.292  33.949   3.489
  510   1H5*    U  48          1H5*        U  48   8.749  31.678  -3.035
  511   2H5*    U  48          2H5*        U  48   8.773  30.075  -3.797
  512    H4*    U  48           H4*        U  48   9.000  30.066  -1.284
  513    H3*    U  48           H3*        U  48   6.811  28.546  -2.692
  514    H2*    U  48           H2*        U  48   5.788  27.976  -0.688
  515   2HO*    U  48          2HO*        U  48   8.310  27.602   0.058
  516    H1*    U  48           H1*        U  48   6.676  30.153   0.894
  517    H3     U  48           H3         U  48   2.214  30.474   1.464
  518    H5     U  48           H5         U  48   2.764  31.343  -2.624
  519    H6     U  48           H6         U  48   5.110  30.781  -2.361
  520   1H5*    A  49          1H5*        A  49   7.146  24.434   0.174
  521   2H5*    A  49          2H5*        A  49   6.701  25.961   0.964
  522    H4*    A  49           H4*        A  49   8.673  25.617   2.512
  523    H3*    A  49           H3*        A  49   9.469  23.580   0.839
  524    H2*    A  49           H2*        A  49   7.916  21.913   1.290
  525   2HO*    A  49          2HO*        A  49   9.820  21.921   3.281
  526    H1*    A  49           H1*        A  49   7.197  22.625   4.042
  527    H8     A  49           H8         A  49   6.036  22.531   0.354
  528   1H6     A  49          1H6         A  49   0.594  20.695   2.632
  529   2H6     A  49          2H6         A  49   1.497  21.021   1.172
  530    H2     A  49           H2         A  49   3.338  21.551   6.071
  531   1H5*    U  50          1H5*        U  50   9.746  22.468   6.745
  532   2H5*    U  50          2H5*        U  50  10.381  20.869   6.312
  533    H4*    U  50           H4*        U  50   7.631  21.755   6.608
  534    H3*    U  50           H3*        U  50   9.036  19.370   7.087
  535    H2*    U  50           H2*        U  50   8.885  18.513   4.897
  536   2HO*    U  50          2HO*        U  50   6.210  17.995   5.700
  537    H1*    U  50           H1*        U  50   6.179  19.782   4.547
  538    H3     U  50           H3         U  50   9.838  18.562   0.883
  539    H5     U  50           H5         U  50   5.844  19.601   0.016
  540    H6     U  50           H6         U  50   5.505  19.988   2.357
  541   1H5*    G  51          1H5*        G  51   4.001  19.473   6.675
  542   2H5*    G  51          2H5*        G  51   3.892  18.828   8.324
  543    H4*    G  51           H4*        G  51   2.149  17.562   7.748
  544    H3*    G  51           H3*        G  51   4.128  16.389   5.837
  545    H2*    G  51           H2*        G  51   2.520  15.658   4.316
  546   2HO*    G  51          2HO*        G  51   0.646  15.884   6.452
  547    H1*    G  51           H1*        G  51   0.638  17.645   4.565
  548    H8     G  51           H8         G  51   4.072  19.235   4.504
  549    H1     G  51           H1         G  51   1.892  17.758  -1.319
  550   1H2     G  51          1H2         G  51   0.080  16.512  -1.171
  551   2H2     G  51          2H2         G  51  -0.605  16.021   0.362
  552   1H5*    G  52          1H5*        G  52   3.447  11.923   4.674
  553   2H5*    G  52          2H5*        G  52   3.866  13.571   4.164
  554    H4*    G  52           H4*        G  52   1.066  12.501   3.813
  555    H3*    G  52           H3*        G  52   3.470  11.812   2.156
  556    H2*    G  52           H2*        G  52   2.452  12.427   0.142
  557   2HO*    G  52          2HO*        G  52  -0.089  12.947   0.803
  558    H1*    G  52           H1*        G  52   1.000  14.589   0.973
  559    H8     G  52           H8         G  52   4.072  15.295   2.809
  560    H1     G  52           H1         G  52   5.040  15.868  -3.493
  561   1H2     G  52          1H2         G  52   3.354  14.941  -4.603
  562   2H2     G  52          2H2         G  52   1.999  14.184  -3.799
  563   1H5*    A  53          1H5*        A  53   0.349   8.731   0.598
  564   2H5*    A  53          2H5*        A  53   1.299   7.233   0.528
  565    H4*    A  53           H4*        A  53   0.148   7.937  -1.629
  566    H3*    A  53           H3*        A  53   3.095   7.335  -1.452
  567    H2*    A  53           H2*        A  53   3.446   7.974  -3.681
  568   2HO*    A  53          2HO*        A  53   2.007   7.605  -5.185
  569    H1*    A  53           H1*        A  53   1.680  10.084  -3.809
  570    H8     A  53           H8         A  53   3.335  10.525  -0.508
  571   1H6     A  53          1H6         A  53   8.247  12.801  -3.477
  572   2H6     A  53          2H6         A  53   7.482  12.579  -1.920
  573    H2     A  53           H2         A  53   5.521  10.949  -6.536
  574   1H5*    A  54          1H5*        A  54   1.720   4.985  -4.895
  575   2H5*    A  54          2H5*        A  54   2.577   3.431  -4.882
  576    H4*    A  54           H4*        A  54   2.873   4.847  -6.969
  577    H3*    A  54           H3*        A  54   5.222   3.845  -5.357
  578    H2*    A  54           H2*        A  54   6.721   4.967  -6.775
  579   2HO*    A  54          2HO*        A  54   4.759   5.642  -8.672
  580    H1*    A  54           H1*        A  54   5.192   7.220  -7.278
  581    H8     A  54           H8         A  54   5.016   6.450  -3.586
  582   1H6     A  54          1H6         A  54  10.370   9.486  -3.031
  583   2H6     A  54          2H6         A  54   9.036   8.758  -2.167
  584    H2     A  54           H2         A  54   9.567   8.885  -7.411
  585   1H5*    G  55          1H5*        G  55   6.126   1.928  -9.260
  586   2H5*    G  55          2H5*        G  55   6.799   0.329  -8.883
  587    H4*    G  55           H4*        G  55   8.369   1.838 -10.123
  588    H3*    G  55           H3*        G  55   9.127   0.803  -7.383
  589    H2*    G  55           H2*        G  55  11.148   1.994  -7.479
  590   2HO*    G  55          2HO*        G  55  10.823   2.515 -10.246
  591    H1*    G  55           H1*        G  55  10.227   4.194  -8.932
  592    H8     G  55           H8         G  55   7.940   3.330  -6.018
  593    H1     G  55           H1         G  55  13.058   6.789  -4.355
  594   1H2     G  55          1H2         G  55  14.478   6.906  -6.060
  595   2H2     G  55          2H2         G  55  14.165   6.134  -7.595
  596   1H5*    A  56          1H5*        A  56  12.122   0.465  -9.294
  597   2H5*    A  56          2H5*        A  56  12.804  -1.091  -9.810
  598    H4*    A  56           H4*        A  56  14.700  -0.100  -8.982
  599    H3*    A  56           H3*        A  56  13.391  -1.490  -6.647
  600    H2*    A  56           H2*        A  56  14.838  -0.487  -5.138
  601   2HO*    A  56          2HO*        A  56  16.636  -0.341  -7.331
  602    H1*    A  56           H1*        A  56  15.475   1.839  -6.642
  603    H8     A  56           H8         A  56  11.833   0.966  -5.670
  604   1H6     A  56          1H6         A  56  12.720   4.804  -0.911
  605   2H6     A  56          2H6         A  56  11.557   3.814  -1.761
  606    H2     A  56           H2         A  56  16.632   4.362  -3.080
  607   1H5*    A  57          1H5*        A  57  17.984  -2.039  -7.367
  608   2H5*    A  57          2H5*        A  57  18.318  -3.735  -6.962
  609    H4*    A  57           H4*        A  57  20.089  -2.316  -6.090
  610    H3*    A  57           H3*        A  57  18.271  -3.605  -4.060
  611    H2*    A  57           H2*        A  57  19.360  -2.503  -2.289
  612   2HO*    A  57          2HO*        A  57  21.409  -1.817  -2.382
  613    H1*    A  57           H1*        A  57  19.731  -0.068  -3.488
  614    H8     A  57           H8         A  57  16.380  -1.783  -4.291
  615   1H6     A  57          1H6         A  57  14.137   1.252   0.591
  616   2H6     A  57          2H6         A  57  13.748   0.228  -0.771
  617    H2     A  57           H2         A  57  18.580   1.949   0.454
  618   1H5*    C  58          1H5*        C  58  21.802  -4.001  -2.509
  619   2H5*    C  58          2H5*        C  58  22.377  -5.655  -2.224
  620    H4*    C  58           H4*        C  58  22.741  -4.567  -0.178
  621    H3*    C  58           H3*        C  58  20.099  -6.044  -0.050
  622    H2*    C  58           H2*        C  58  19.794  -5.254   2.143
  623   2HO*    C  58          2HO*        C  58  22.599  -4.980   2.095
  624    H1*    C  58           H1*        C  58  20.972  -2.746   1.787
  625   1H4     C  58          1H4         C  58  14.723  -1.590   1.686
  626   2H4     C  58          2H4         C  58  14.562  -2.381   0.135
  627    H5     C  58           H5         C  58  16.395  -3.464  -0.991
  628    H6     C  58           H6         C  58  18.773  -4.047  -0.859
  629   1H5*    C  59          1H5*        C  59  21.796  -6.652   3.303
  630   2H5*    C  59          2H5*        C  59  21.637  -8.251   4.056
  631    H4*    C  59           H4*        C  59  20.588  -6.552   5.455
  632    H3*    C  59           H3*        C  59  18.691  -8.478   4.093
  633    H2*    C  59           H2*        C  59  16.871  -7.355   5.020
  634   2HO*    C  59          2HO*        C  59  17.126  -6.031   6.918
  635    H1*    C  59           H1*        C  59  18.090  -4.796   5.238
  636   1H4     C  59          1H4         C  59  13.568  -4.033   0.846
  637   2H4     C  59          2H4         C  59  14.423  -5.070  -0.276
  638    H5     C  59           H5         C  59  16.474  -6.218   0.283
  639    H6     C  59           H6         C  59  18.120  -6.644   2.051
  640   1H5*    G  60          1H5*        G  60  18.545  -8.612   8.834
  641   2H5*    G  60          2H5*        G  60  18.246 -10.324   9.194
  642    H4*    G  60           H4*        G  60  16.862  -8.882  10.607
  643    H3*    G  60           H3*        G  60  15.423 -10.557   8.545
  644    H2*    G  60           H2*        G  60  13.367  -9.624   9.163
  645   2HO*    G  60          2HO*        G  60  14.436  -8.434  11.492
  646    H1*    G  60           H1*        G  60  14.258  -7.061   9.801
  647    H8     G  60           H8         G  60  15.618  -8.360   6.489
  648    H1     G  60           H1         G  60   9.829  -5.663   6.034
  649   1H2     G  60          1H2         G  60   9.015  -5.270   8.060
  650   2H2     G  60          2H2         G  60   9.893  -5.667   9.520
  651   1H5*    G  61          1H5*        G  61  13.105 -10.345  11.642
  652   2H5*    G  61          2H5*        G  61  12.920 -11.895  12.485
  653    H4*    G  61           H4*        G  61  10.738 -11.022  12.387
  654    H3*    G  61           H3*        G  61  11.175 -13.028  10.173
  655    H2*    G  61           H2*        G  61   9.099 -12.548   9.248
  656   2HO*    G  61          2HO*        G  61   7.353 -12.147  10.437
  657    H1*    G  61           H1*        G  61   8.838  -9.880  10.177
  658    H8     G  61           H8         G  61  11.909 -10.829   8.069
  659    H1     G  61           H1         G  61   6.882  -8.814   4.667
  660   1H2     G  61          1H2         G  61   5.120  -8.551   5.993
  661   2H2     G  61          2H2         G  61   5.181  -8.876   7.710
  662   1H5*    G  62          1H5*        G  62   7.121 -13.294  12.000
  663   2H5*    G  62          2H5*        G  62   6.840 -15.023  12.287
  664    H4*    G  62           H4*        G  62   4.937 -13.910  11.144
  665    H3*    G  62           H3*        G  62   6.417 -16.110   9.694
  666    H2*    G  62           H2*        G  62   5.085 -15.806   7.800
  667   2HO*    G  62          2HO*        G  62   3.009 -15.411   7.940
  668    H1*    G  62           H1*        G  62   4.572 -13.050   8.108
  669    H8     G  62           H8         G  62   8.225 -14.256   8.190
  670    H1     G  62           H1         G  62   6.075 -12.647   2.379
  671   1H2     G  62          1H2         G  62   3.894 -12.247   2.457
  672   2H2     G  62          2H2         G  62   2.969 -12.374   3.937
  673   1H5*    G  63          1H5*        G  63   5.064 -19.947   8.439
  674   2H5*    G  63          2H5*        G  63   5.870 -18.365   8.452
  675    H4*    G  63           H4*        G  63   3.161 -18.629   7.179
  676    H3*    G  63           H3*        G  63   5.724 -19.717   6.036
  677    H2*    G  63           H2*        G  63   5.375 -18.656   3.974
  678   2HO*    G  63          2HO*        G  63   2.665 -18.492   4.813
  679    H1*    G  63           H1*        G  63   4.281 -16.301   4.868
  680    H8     G  63           H8         G  63   6.985 -16.790   7.326
  681    H1     G  63           H1         G  63   9.353 -15.442   1.536
  682   1H2     G  63          1H2         G  63   7.769 -15.604   0.011
  683   2H2     G  63          2H2         G  63   6.125 -16.052   0.409
  684   1H5*    A  64          1H5*        A  64   6.809 -23.016   5.242
  685   2H5*    A  64          2H5*        A  64   7.351 -21.442   4.623
  686    H4*    A  64           H4*        A  64   8.017 -23.665   3.384
  687    H3*    A  64           H3*        A  64   7.300 -21.005   2.241
  688    H2*    A  64           H2*        A  64   6.931 -21.786   0.070
  689   2HO*    A  64          2HO*        A  64   9.004 -23.279   0.582
  690    H1*    A  64           H1*        A  64   5.835 -24.234   0.573
  691    H8     A  64           H8         A  64   4.566 -21.667   3.087
  692   1H6     A  64          1H6         A  64   0.140 -20.373  -1.012
  693   2H6     A  64          2H6         A  64   0.710 -20.113   0.621
  694    H2     A  64           H2         A  64   3.102 -23.096  -3.005
  695   1H5*    A  65          1H5*        A  65  10.058 -18.649  -0.339
  696   2H5*    A  65          2H5*        A  65   8.394 -18.059  -0.151
  697    H4*    A  65           H4*        A  65   9.526 -20.033  -2.096
  698    H3*    A  65           H3*        A  65   8.005 -17.529  -2.239
  699    H2*    A  65           H2*        A  65   6.101 -18.267  -3.307
  700   2HO*    A  65          2HO*        A  65   6.668 -20.542  -4.497
  701    H1*    A  65           H1*        A  65   6.006 -20.956  -2.726
  702    H8     A  65           H8         A  65   6.555 -19.709   0.646
  703   1H6     A  65          1H6         A  65   0.691 -17.789   0.792
  704   2H6     A  65          2H6         A  65   2.108 -18.159   1.749
  705    H2     A  65           H2         A  65   1.764 -18.626  -3.494
  706   1H5*    A  66          1H5*        A  66   8.075 -15.315  -6.170
  707   2H5*    A  66          2H5*        A  66   7.626 -14.617  -4.602
  708    H4*    A  66           H4*        A  66   5.961 -15.273  -6.924
  709    H3*    A  66           H3*        A  66   5.838 -13.401  -4.592
  710    H2*    A  66           H2*        A  66   3.510 -13.512  -4.369
  711   2HO*    A  66          2HO*        A  66   3.628 -13.826  -7.043
  712    H1*    A  66           H1*        A  66   3.089 -16.137  -4.854
  713    H8     A  66           H8         A  66   6.421 -15.643  -3.055
  714   1H6     A  66          1H6         A  66   3.217 -16.001   2.211
  715   2H6     A  66          2H6         A  66   4.821 -15.964   1.505
  716    H2     A  66           H2         A  66   0.272 -15.827  -1.201
  717   1H5*    C  67          1H5*        C  67   3.292 -11.636  -6.057
  718   2H5*    C  67          2H5*        C  67   3.416  -9.869  -6.171
  719    H4*    C  67           H4*        C  67   1.767 -10.595  -4.472
  720    H3*    C  67           H3*        C  67   4.209  -9.072  -3.551
  721    H2*    C  67           H2*        C  67   3.523  -9.256  -1.317
  722   2HO*    C  67          2HO*        C  67   0.950 -10.169  -2.068
  723    H1*    C  67           H1*        C  67   2.357 -11.780  -1.460
  724   1H4     C  67          1H4         C  67   8.019 -12.830   1.235
  725   2H4     C  67          2H4         C  67   8.836 -12.522  -0.282
  726    H5     C  67           H5         C  67   7.690 -11.815  -2.279
  727    H6     C  67           H6         C  67   5.515 -11.259  -3.258
  728   1H5*    U  68          1H5*        U  68   1.343  -7.863  -1.474
  729   2H5*    U  68          2H5*        U  68   0.902  -6.144  -1.517
  730    H4*    U  68           H4*        U  68   1.050  -6.725   0.779
  731    H3*    U  68           H3*        U  68   3.523  -5.258  -0.155
  732    H2*    U  68           H2*        U  68   4.475  -5.483   1.980
  733   2HO*    U  68          2HO*        U  68   3.312  -5.569   3.799
  734    H1*    U  68           H1*        U  68   3.371  -7.973   2.630
  735    H3     U  68           H3         U  68   7.764  -8.970   2.660
  736    H5     U  68           H5         U  68   6.960  -8.171  -1.399
  737    H6     U  68           H6         U  68   4.717  -7.507  -0.756
  738   1H5*    U  69          1H5*        U  69   2.067  -4.054   3.183
  739   2H5*    U  69          2H5*        U  69   1.711  -2.372   3.625
  740    H4*    U  69           H4*        U  69   2.945  -3.260   5.442
  741    H3*    U  69           H3*        U  69   4.732  -1.619   3.633
  742    H2*    U  69           H2*        U  69   6.557  -2.121   5.001
  743   2HO*    U  69          2HO*        U  69   5.169  -3.247   7.119
  744    H1*    U  69           H1*        U  69   5.716  -4.676   5.830
  745    H3     U  69           H3         U  69   9.629  -5.709   3.848
  746    H5     U  69           H5         U  69   7.293  -4.213   0.678
  747    H6     U  69           H6         U  69   5.572  -3.655   2.294
  748   1H5*    G  70          1H5*        G  70   5.341  -0.930   7.315
  749   2H5*    G  70          2H5*        G  70   5.699   0.680   7.970
  750    H4*    G  70           H4*        G  70   7.519  -0.806   8.518
  751    H3*    G  70           H3*        G  70   8.195   1.195   6.346
  752    H2*    G  70           H2*        G  70  10.320   0.261   6.168
  753   2HO*    G  70          2HO*        G  70  10.463   0.474   8.620
  754    H1*    G  70           H1*        G  70   9.632  -2.353   7.080
  755    H8     G  70           H8         G  70   7.971  -0.860   3.926
  756    H1     G  70           H1         G  70  13.262  -4.314   2.885
  757   1H2     G  70          1H2         G  70  14.190  -4.866   4.825
  758   2H2     G  70          2H2         G  70  13.506  -4.385   6.362
  759   1H5*    G  71          1H5*        G  71  11.074   1.420  10.073
  760   2H5*    G  71          2H5*        G  71  10.841   3.130  10.489
  761    H4*    G  71           H4*        G  71  13.096   2.993  10.832
  762    H3*    G  71           H3*        G  71  12.693   3.694   7.949
  763    H2*    G  71           H2*        G  71  14.902   3.221   7.343
  764   2HO*    G  71          2HO*        G  71  15.766   2.981  10.020
  765    H1*    G  71           H1*        G  71  15.392   1.048   8.923
  766    H8     G  71           H8         G  71  11.831   1.006   7.549
  767    H1     G  71           H1         G  71  16.193  -1.314   3.478
  768   1H2     G  71          1H2         G  71  18.234  -1.011   4.302
  769   2H2     G  71          2H2         G  71  18.522  -0.209   5.828
  770   1H5*    U  72          1H5*        U  72  16.295   5.777   8.951
  771   2H5*    U  72          2H5*        U  72  16.039   7.490   8.567
  772    H4*    U  72           H4*        U  72  18.115   6.694   7.560
  773    H3*    U  72           H3*        U  72  15.874   7.352   5.641
  774    H2*    U  72           H2*        U  72  17.211   6.708   3.829
  775   2HO*    U  72          2HO*        U  72  19.264   7.483   5.542
  776    H1*    U  72           H1*        U  72  18.648   4.673   5.104
  777    H3     U  72           H3         U  72  16.483   2.485   1.775
  778    H5     U  72           H5         U  72  13.437   3.449   4.527
  779    H6     U  72           H6         U  72  15.064   4.748   5.774
  780   1H5*    U  73          1H5*        U  73  19.568   9.266   4.406
  781   2H5*    U  73          2H5*        U  73  19.255  10.927   3.863
  782    H4*    U  73           H4*        U  73  20.573   9.685   2.206
  783    H3*    U  73           H3*        U  73  17.756  10.448   1.402
  784    H2*    U  73           H2*        U  73  18.094   9.447  -0.701
  785   2HO*    U  73          2HO*        U  73  20.003   9.333  -1.645
  786    H1*    U  73           H1*        U  73  19.564   7.270   0.162
  787    H3     U  73           H3         U  73  15.685   5.393  -1.216
  788    H5     U  73           H5         U  73  14.647   7.360   2.366
  789    H6     U  73           H6         U  73  16.878   8.318   2.409
  790   1H5*    C  74          1H5*        C  74  20.233  11.345  -1.712
  791   2H5*    C  74          2H5*        C  74  19.824  12.852  -2.554
  792    H4*    C  74           H4*        C  74  19.822  10.893  -4.064
  793    H3*    C  74           H3*        C  74  17.133  12.230  -3.606
  794    H2*    C  74           H2*        C  74  16.224  10.728  -5.185
  795   2HO*    C  74          2HO*        C  74  18.066  11.110  -6.668
  796    H1*    C  74           H1*        C  74  17.801   8.528  -4.475
  797   1H4     C  74          1H4         C  74  12.139   7.350  -1.847
  798   2H4     C  74          2H4         C  74  12.437   8.539  -0.598
  799    H5     C  74           H5         C  74  14.391   9.949  -0.556
  800    H6     C  74           H6         C  74  16.479  10.523  -1.703
  801   1H5*    U  75          1H5*        U  75  18.085  12.807  -7.559
  802   2H5*    U  75          2H5*        U  75  17.350  14.125  -8.495
  803    H4*    U  75           H4*        U  75  16.448  11.870  -9.069
  804    H3*    U  75           H3*        U  75  14.535  13.915  -7.902
  805    H2*    U  75           H2*        U  75  12.809  12.351  -8.086
  806   2HO*    U  75          2HO*        U  75  12.711  11.564 -10.044
  807    H1*    U  75           H1*        U  75  14.425  10.027  -7.800
  808    H3     U  75           H3         U  75  11.194   9.543  -4.651
  809    H5     U  75           H5         U  75  13.741  12.520  -3.106
  810    H6     U  75           H6         U  75  14.907  12.534  -5.234
  811   1H5*    U  76          1H5*        U  76  12.978  13.132 -11.768
  812   2H5*    U  76          2H5*        U  76  12.392  14.583 -12.608
  813    H4*    U  76           H4*        U  76  10.591  12.960 -12.396
  814    H3*    U  76           H3*        U  76  10.325  15.460 -10.727
  815    H2*    U  76           H2*        U  76   8.404  14.644  -9.704
  816   2HO*    U  76          2HO*        U  76   7.461  12.634 -11.007
  817    H1*    U  76           H1*        U  76   8.933  11.866 -10.001
  818    H3     U  76           H3         U  76   8.163  12.084  -5.571
  819    H5     U  76           H5         U  76  11.700  14.323  -6.077
  820    H6     U  76           H6         U  76  11.441  14.065  -8.476
  821   1H5*    C  77          1H5*        C  77   5.725  16.812 -12.792
  822   2H5*    C  77          2H5*        C  77   5.987  17.655 -11.252
  823    H4*    C  77           H4*        C  77   4.390  15.212 -11.855
  824    H3*    C  77           H3*        C  77   4.111  17.646 -10.112
  825    H2*    C  77           H2*        C  77   3.039  16.471  -8.417
  826   2HO*    C  77          2HO*        C  77   1.644  14.884  -8.798
  827    H1*    C  77           H1*        C  77   4.182  13.941  -8.796
  828   1H4     C  77          1H4         C  77   6.737  16.485  -3.510
  829   2H4     C  77          2H4         C  77   8.062  17.081  -4.483
  830    H5     C  77           H5         C  77   8.113  16.927  -6.884
  831    H6     C  77           H6         C  77   6.899  16.175  -8.877
  832   1H5*    C  78          1H5*        C  78  -0.700  18.824  -9.649
  833   2H5*    C  78          2H5*        C  78   0.645  19.204  -8.555
  834    H4*    C  78           H4*        C  78  -1.452  17.038  -8.259
  835    H3*    C  78           H3*        C  78  -0.831  19.587  -6.812
  836    H2*    C  78           H2*        C  78  -0.975  18.628  -4.703
  837   2HO*    C  78          2HO*        C  78  -3.095  17.571  -5.596
  838    H1*    C  78           H1*        C  78  -0.173  16.021  -5.280
  839   1H4     C  78          1H4         C  78   4.683  19.004  -2.347
  840   2H4     C  78          2H4         C  78   5.350  19.371  -3.922
  841    H5     C  78           H5         C  78   4.206  18.904  -5.982
  842    H6     C  78           H6         C  78   2.163  18.001  -6.989
  843   1H5*    U  79          1H5*        U  79  -3.310  22.838  -5.771
  844   2H5*    U  79          2H5*        U  79  -1.564  22.783  -5.450
  845    H4*    U  79           H4*        U  79  -3.667  21.034  -4.128
  846    H3*    U  79           H3*        U  79  -2.397  23.611  -3.298
  847    H2*    U  79           H2*        U  79  -1.660  22.826  -1.256
  848   2HO*    U  79          2HO*        U  79  -3.102  21.942  -0.027
  849    H1*    U  79           H1*        U  79  -1.524  20.056  -1.783
  850    H3     U  79           H3         U  79   2.429  21.857  -0.067
  851    H5     U  79           H5         U  79   2.718  21.880  -4.274
  852    H6     U  79           H6         U  79   0.353  21.340  -4.374
  853   1H5*    A  80          1H5*        A  80  -4.413  26.260  -0.365
  854   2H5*    A  80          2H5*        A  80  -2.778  26.656  -0.931
  855    H4*    A  80           H4*        A  80  -3.520  24.957   1.475
  856    H3*    A  80           H3*        A  80  -3.314  27.696   1.429
  857    H2*    A  80           H2*        A  80  -1.077  27.955   0.811
  858   2HO*    A  80          2HO*        A  80  -0.626  27.108   3.490
  859    H1*    A  80           H1*        A  80  -0.066  25.519   2.192
  860    H8     A  80           H8         A  80  -0.723  26.201  -1.571
  861   1H6     A  80          1H6         A  80   5.431  26.216  -2.120
  862   2H6     A  80          2H6         A  80   3.910  26.310  -2.979
  863    H2     A  80           H2         A  80   4.432  25.792   2.242
  864   1H5*    A  81          1H5*        A  81  -5.320  26.262   6.109
  865   2H5*    A  81          2H5*        A  81  -5.059  27.861   6.836
  866    H4*    A  81           H4*        A  81  -4.702  25.949   8.413
  867    H3*    A  81           H3*        A  81  -2.593  27.993   7.850
  868    H2*    A  81           H2*        A  81  -0.879  26.801   8.870
  869   2HO*    A  81          2HO*        A  81  -1.191  25.460  10.575
  870    H1*    A  81           H1*        A  81  -1.701  24.199   8.403
  871    H8     A  81           H8         A  81  -2.098  25.562   5.046
  872   1H6     A  81          1H6         A  81   4.043  25.556   4.393
  873   2H6     A  81          2H6         A  81   2.509  25.688   3.564
  874    H2     A  81           H2         A  81   3.118  24.974   8.754
  875   1H5*    G  82          1H5*        G  82  -0.665  30.220  11.723
  876   2H5*    G  82          2H5*        G  82  -0.612  30.280   9.950
  877    H4*    G  82           H4*        G  82   0.958  28.406  11.752
  878    H3*    G  82           H3*        G  82   1.674  30.923  10.291
  879    H2*    G  82           H2*        G  82   3.575  30.017   9.307
  880   2HO*    G  82          2HO*        G  82   3.710  27.723  10.889
  881    H1*    G  82           H1*        G  82   2.799  27.360   9.066
  882    H8     G  82           H8         G  82  -0.085  29.185   7.670
  883    H1     G  82           H1         G  82   4.966  29.425   3.744
  884   1H2     G  82          1H2         G  82   6.792  28.757   4.814
  885   2H2     G  82          2H2         G  82   6.768  28.258   6.489
  886   1H5*    U  83          1H5*        U  83   4.954  30.669  11.778
  887   2H5*    U  83          2H5*        U  83   5.415  31.707  13.142
  888    H4*    U  83           H4*        U  83   7.119  32.226  11.706
  889    H3*    U  83           H3*        U  83   4.861  34.106  11.056
  890    H2*    U  83           H2*        U  83   5.919  34.879   9.119
  891   2HO*    U  83          2HO*        U  83   7.981  35.252   9.153
  892    H1*    U  83           H1*        U  83   7.129  32.538   8.296
  893    H3     U  83           H3         U  83   4.060  33.131   5.045
  894    H5     U  83           H5         U  83   1.749  32.133   8.425
  895    H6     U  83           H6         U  83   3.779  32.201   9.752
  896   1H5*    C  84          1H5*        C  84   8.252  36.088  10.822
  897   2H5*    C  84          2H5*        C  84   8.463  37.652  11.636
  898    H4*    C  84           H4*        C  84   9.015  37.950   9.318
  899    H3*    C  84           H3*        C  84   6.331  39.115  10.083
  900    H2*    C  84           H2*        C  84   5.940  39.739   7.873
  901   2HO*    C  84          2HO*        C  84   7.551  40.239   6.446
  902    H1*    C  84           H1*        C  84   7.438  37.695   6.616
  903   1H4     C  84          1H4         C  84   1.381  36.253   5.353
  904   2H4     C  84          2H4         C  84   1.081  35.871   7.032
  905    H5     C  84           H5         C  84   2.732  36.144   8.764
  906    H6     C  84           H6         C  84   5.021  36.865   9.264
  907   1H5*    C  85          1H5*        C  85   8.460  41.325   7.683
  908   2H5*    C  85          2H5*        C  85   9.093  42.867   8.292
  909    H4*    C  85           H4*        C  85   8.557  43.371   6.082
  910    H3*    C  85           H3*        C  85   6.219  44.127   7.838
  911    H2*    C  85           H2*        C  85   4.966  44.743   5.947
  912   2HO*    C  85          2HO*        C  85   6.120  44.846   3.833
  913    H1*    C  85           H1*        C  85   5.850  42.762   4.229
  914   1H4     C  85          1H4         C  85   0.293  40.545   6.396
  915   2H4     C  85          2H4         C  85   0.992  40.241   7.970
  916    H5     C  85           H5         C  85   3.251  40.826   8.547
  917    H6     C  85           H6         C  85   5.334  41.838   7.746
  918   1H5*    U  86          1H5*        U  86   6.438  46.582   4.782
  919   2H5*    U  86          2H5*        U  86   6.389  48.306   5.201
  920    H4*    U  86           H4*        U  86   4.695  47.745   3.515
  921    H3*    U  86           H3*        U  86   3.782  48.653   6.225
  922    H2*    U  86           H2*        U  86   1.643  47.928   5.886
  923   2HO*    U  86          2HO*        U  86   1.358  49.640   4.361
  924    H1*    U  86           H1*        U  86   2.206  46.530   3.348
  925    H3     U  86           H3         U  86  -1.188  43.950   4.729
  926    H5     U  86           H5         U  86   1.640  43.590   7.843
  927    H6     U  86           H6         U  86   2.983  45.269   6.713
  928    H3T    U  86           H3T        U  86   4.680  50.012   4.492
  929   1HN1  NCO 101          1HN1      NCO 101 -13.353  10.976   2.786
  930   2HN1  NCO 101          2HN1      NCO 101 -13.023  12.493   3.306
  931   3HN1  NCO 101          3HN1      NCO 101 -11.819  11.547   2.723
  932   1HN2  NCO 101          1HN2      NCO 101 -14.345  11.771   6.226
  933   2HN2  NCO 101          2HN2      NCO 101 -14.720  11.459   4.663
  934   3HN2  NCO 101          3HN2      NCO 101 -14.653  10.235   5.750
  935   1HN3  NCO 101          1HN3      NCO 101 -12.341  12.817   6.598
  936   2HN3  NCO 101          2HN3      NCO 101 -12.382  13.343   5.049
  937   3HN3  NCO 101          3HN3      NCO 101 -10.970  12.834   5.702
  938   1HN4  NCO 101          1HN4      NCO 101  -9.907  10.582   5.475
  939   2HN4  NCO 101          2HN4      NCO 101 -10.133  11.385   4.066
  940   3HN4  NCO 101          3HN4      NCO 101 -10.325   9.759   4.122
  941   1HN5  NCO 101          1HN5      NCO 101 -12.103   8.391   4.872
  942   2HN5  NCO 101          2HN5      NCO 101 -13.669   8.805   4.632
  943   3HN5  NCO 101          3HN5      NCO 101 -12.577   9.006   3.429
  944   1HN6  NCO 101          1HN6      NCO 101 -12.448   9.272   6.982
  945   2HN6  NCO 101          2HN6      NCO 101 -11.051  10.120   7.063
  946   3HN6  NCO 101          3HN6      NCO 101 -12.454  10.807   7.552
  947   1HN1  NCO 102          1HN1      NCO 102  -9.401 -13.007  -2.507
  948   2HN1  NCO 102          2HN1      NCO 102  -9.171 -14.288  -1.515
  949   3HN1  NCO 102          3HN1      NCO 102 -10.671 -13.657  -1.704
  950   1HN2  NCO 102          1HN2      NCO 102 -12.182 -14.985  -2.272
  951   2HN2  NCO 102          2HN2      NCO 102 -12.376 -16.134  -3.422
  952   3HN2  NCO 102          3HN2      NCO 102 -11.479 -16.452  -2.089
  953   1HN3  NCO 102          1HN3      NCO 102  -9.469 -16.693  -1.895
  954   2HN3  NCO 102          2HN3      NCO 102  -8.999 -17.281  -3.348
  955   3HN3  NCO 102          3HN3      NCO 102  -8.122 -16.108  -2.618
  956   1HN4  NCO 102          1HN4      NCO 102  -8.343 -14.969  -5.394
  957   2HN4  NCO 102          2HN4      NCO 102  -7.741 -14.484  -3.950
  958   3HN4  NCO 102          3HN4      NCO 102  -8.662 -13.462  -4.838
  959   1HN5  NCO 102          1HN5      NCO 102 -12.129 -14.039  -4.708
  960   2HN5  NCO 102          2HN5      NCO 102 -10.781 -13.462  -5.436
  961   3HN5  NCO 102          3HN5      NCO 102 -11.231 -12.884  -3.972
  962   1HN6  NCO 102          1HN6      NCO 102 -11.191 -16.985  -4.891
  963   2HN6  NCO 102          2HN6      NCO 102 -10.775 -15.823  -5.967
  964   3HN6  NCO 102          3HN6      NCO 102  -9.634 -16.839  -5.377
  965   1HN1  NCO 103          1HN1      NCO 103  11.916 -13.328   2.203
  966   2HN1  NCO 103          2HN1      NCO 103  13.186 -12.824   3.105
  967   3HN1  NCO 103          3HN1      NCO 103  11.659 -12.446   3.559
  968   1HN2  NCO 103          1HN2      NCO 103  14.442 -10.315   2.946
  969   2HN2  NCO 103          2HN2      NCO 103  14.764 -10.362   1.342
  970   3HN2  NCO 103          3HN2      NCO 103  14.660 -11.754   2.197
  971   1HN3  NCO 103          1HN3      NCO 103  12.055 -10.479   4.140
  972   2HN3  NCO 103          2HN3      NCO 103  12.656  -9.136   3.422
  973   3HN3  NCO 103          3HN3      NCO 103  11.063  -9.495   3.285
  974   1HN4  NCO 103          1HN4      NCO 103  10.015 -11.645   2.020
  975   2HN4  NCO 103          2HN4      NCO 103  10.300 -11.404   0.426
  976   3HN4  NCO 103          3HN4      NCO 103  10.035 -10.124   1.413
  977   1HN5  NCO 103          1HN5      NCO 103  11.890 -12.435  -0.196
  978   2HN5  NCO 103          2HN5      NCO 103  13.074 -11.388  -0.621
  979   3HN5  NCO 103          3HN5      NCO 103  13.423 -12.681   0.320
  980   1HN6  NCO 103          1HN6      NCO 103  12.365  -9.456  -0.300
  981   2HN6  NCO 103          2HN6      NCO 103  11.778  -8.616   0.978
  982   3HN6  NCO 103          3HN6      NCO 103  13.393  -8.838   0.816
  983   1HN1  NCO 104          1HN1      NCO 104   8.119  15.867  -1.349
  984   2HN1  NCO 104          2HN1      NCO 104   9.100  17.175  -1.417
  985   3HN1  NCO 104          3HN1      NCO 104   8.485  16.688   0.020
  986   1HN2  NCO 104          1HN2      NCO 104   9.573  15.834   1.672
  987   2HN2  NCO 104          2HN2      NCO 104   9.052  14.327   1.303
  988   3HN2  NCO 104          3HN2      NCO 104  10.593  14.560   1.807
  989   1HN3  NCO 104          1HN3      NCO 104  12.401  16.509   0.144
  990   2HN3  NCO 104          2HN3      NCO 104  11.052  17.192   0.772
  991   3HN3  NCO 104          3HN3      NCO 104  11.454  17.462  -0.791
  992   1HN4  NCO 104          1HN4      NCO 104  10.721  14.682  -2.992
  993   2HN4  NCO 104          2HN4      NCO 104  11.938  15.656  -2.489
  994   3HN4  NCO 104          3HN4      NCO 104  10.465  16.291  -2.821
  995   1HN5  NCO 104          1HN5      NCO 104   9.907  12.844  -1.143
  996   2HN5  NCO 104          2HN5      NCO 104   8.576  13.540  -0.491
  997   3HN5  NCO 104          3HN5      NCO 104   8.963  13.823  -2.056
  998   1HN6  NCO 104          1HN6      NCO 104  12.479  13.947  -1.131
  999   2HN6  NCO 104          2HN6      NCO 104  12.562  14.482   0.414
 1000   3HN6  NCO 104          3HN6      NCO 104  11.663  13.163   0.051
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   4.422 -47.690  -2.636
    2   2H5*    G   1          2H5*        G   1   5.421 -46.462  -3.439
    3    H4*    G   1           H4*        G   1   4.394 -47.513  -5.239
    4    H3*    G   1           H3*        G   1   2.942 -45.019  -4.476
    5    H2*    G   1           H2*        G   1   1.018 -45.500  -5.710
    6   2HO*    G   1          2HO*        G   1   2.422 -47.555  -7.093
    7    H1*    G   1           H1*        G   1   0.843 -48.194  -5.365
    8    H8     G   1           H8         G   1   1.978 -47.094  -2.012
    9    H1     G   1           H1         G   1  -4.119 -45.465  -3.093
   10   1H2     G   1          1H2         G   1  -4.608 -45.734  -5.240
   11   2H2     G   1          2H2         G   1  -3.438 -46.311  -6.405
   12    H5T    G   1           H5T        G   1   4.344 -45.466  -1.794
   13   1H5*    G   2          1H5*        G   2   1.817 -45.249  -8.021
   14   2H5*    G   2          2H5*        G   2   2.322 -43.910  -9.070
   15    H4*    G   2           H4*        G   2  -0.081 -44.172  -9.215
   16    H3*    G   2           H3*        G   2   0.873 -41.713  -7.750
   17    H2*    G   2           H2*        G   2  -1.299 -41.139  -7.159
   18   2HO*    G   2          2HO*        G   2  -2.067 -42.622  -9.460
   19    H1*    G   2           H1*        G   2  -2.442 -43.741  -7.207
   20    H8     G   2           H8         G   2   0.466 -43.566  -4.819
   21    H1     G   2           H1         G   2  -4.964 -41.227  -2.359
   22   1H2     G   2          1H2         G   2  -6.486 -41.002  -3.961
   23   2H2     G   2          2H2         G   2  -6.163 -41.424  -5.626
   24   1H5*    G   3          1H5*        G   3  -1.981 -40.719 -10.300
   25   2H5*    G   3          2H5*        G   3  -1.684 -39.492 -11.548
   26    H4*    G   3           H4*        G   3  -3.754 -38.911 -10.538
   27    H3*    G   3           H3*        G   3  -1.466 -37.199  -9.573
   28    H2*    G   3           H2*        G   3  -2.815 -36.142  -7.996
   29   2HO*    G   3          2HO*        G   3  -5.246 -36.476  -8.282
   30    H1*    G   3           H1*        G   3  -4.601 -38.245  -7.471
   31    H8     G   3           H8         G   3  -0.830 -38.983  -7.264
   32    H1     G   3           H1         G   3  -3.490 -37.024  -1.779
   33   1H2     G   3          1H2         G   3  -5.588 -36.399  -2.140
   34   2H2     G   3          2H2         G   3  -6.328 -36.461  -3.723
   35   1H5*    A   4          1H5*        A   4  -4.936 -35.353 -10.221
   36   2H5*    A   4          2H5*        A   4  -5.023 -34.003 -11.370
   37    H4*    A   4           H4*        A   4  -6.376 -33.405  -9.497
   38    H3*    A   4           H3*        A   4  -3.718 -31.988  -9.577
   39    H2*    A   4           H2*        A   4  -4.082 -31.003  -7.498
   40   2HO*    A   4          2HO*        A   4  -6.566 -31.367  -6.809
   41    H1*    A   4           H1*        A   4  -5.663 -33.002  -6.334
   42    H8     A   4           H8         A   4  -2.276 -33.878  -7.991
   43   1H6     A   4          1H6         A   4   0.054 -33.500  -2.284
   44   2H6     A   4          2H6         A   4   0.394 -33.898  -3.952
   45    H2     A   4           H2         A   4  -4.262 -32.254  -2.100
   46   1H5*    U   5          1H5*        U   5  -6.815 -29.138  -8.460
   47   2H5*    U   5          2H5*        U   5  -6.334 -27.517  -8.997
   48    H4*    U   5           H4*        U   5  -6.634 -27.919  -6.465
   49    H3*    U   5           H3*        U   5  -4.277 -26.558  -7.746
   50    H2*    U   5           H2*        U   5  -3.063 -26.529  -5.771
   51   2HO*    U   5          2HO*        U   5  -5.211 -27.029  -4.057
   52    H1*    U   5           H1*        U   5  -4.244 -28.750  -4.474
   53    H3     U   5           H3         U   5   0.103 -29.936  -4.339
   54    H5     U   5           H5         U   5  -0.845 -30.061  -8.445
   55    H6     U   5           H6         U   5  -3.017 -29.126  -7.906
   56   1H5*    A   6          1H5*        A   6  -7.192 -21.394  -6.233
   57   2H5*    A   6          2H5*        A   6  -5.422 -21.249  -6.200
   58    H4*    A   6           H4*        A   6  -6.951 -22.815  -4.113
   59    H3*    A   6           H3*        A   6  -7.106 -19.988  -4.374
   60    H2*    A   6           H2*        A   6  -5.031 -19.436  -3.502
   61   2HO*    A   6          2HO*        A   6  -5.717 -18.782  -1.631
   62    H1*    A   6           H1*        A   6  -4.781 -21.960  -1.908
   63    H8     A   6           H8         A   6  -2.961 -20.780  -5.094
   64   1H6     A   6          1H6         A   6   2.038 -20.238  -1.511
   65   2H6     A   6          2H6         A   6   1.429 -20.144  -3.149
   66    H2     A   6           H2         A   6  -1.443 -21.326   1.116
   67   1H5*    U   7          1H5*        U   7  -8.310 -19.135   1.098
   68   2H5*    U   7          2H5*        U   7  -6.732 -18.699   0.414
   69    H4*    U   7           H4*        U   7  -7.255 -20.021   2.854
   70    H3*    U   7           H3*        U   7  -4.817 -19.210   1.335
   71    H2*    U   7           H2*        U   7  -3.562 -21.013   1.981
   72   2HO*    U   7          2HO*        U   7  -3.265 -21.429   4.096
   73    H1*    U   7           H1*        U   7  -5.695 -22.486   3.371
   74    H3     U   7           H3         U   7  -4.638 -26.420   1.542
   75    H5     U   7           H5         U   7  -3.130 -23.664  -1.269
   76    H6     U   7           H6         U   7  -4.029 -21.876   0.099
   77   1H5*    G   8          1H5*        G   8  -2.594 -19.250   2.867
   78   2H5*    G   8          2H5*        G   8  -1.782 -19.223   4.446
   79    H4*    G   8           H4*        G   8  -0.128 -17.880   3.707
   80    H3*    G   8           H3*        G   8  -2.318 -16.299   2.390
   81    H2*    G   8           H2*        G   8  -0.935 -15.556   0.677
   82   2HO*    G   8          2HO*        G   8   0.662 -14.816   2.268
   83    H1*    G   8           H1*        G   8   0.834 -17.715   0.519
   84    H8     G   8           H8         G   8  -2.772 -18.866   0.444
   85    H1     G   8           H1         G   8  -0.648 -16.802  -5.227
   86   1H2     G   8          1H2         G   8   1.323 -15.824  -4.992
   87   2H2     G   8          2H2         G   8   2.119 -15.676  -3.444
   88   1H5*    G   9          1H5*        G   9  -2.960 -12.569   1.730
   89   2H5*    G   9          2H5*        G   9  -2.485 -14.272   1.558
   90    H4*    G   9           H4*        G   9  -0.225 -12.525   1.055
   91    H3*    G   9           H3*        G   9  -2.781 -11.828  -0.365
   92    H2*    G   9           H2*        G   9  -1.764 -11.891  -2.476
   93   2HO*    G   9          2HO*        G   9   0.568 -11.922  -2.661
   94    H1*    G   9           H1*        G   9  -0.066 -14.010  -2.096
   95    H8     G   9           H8         G   9  -2.939 -15.468  -0.448
   96    H1     G   9           H1         G   9  -4.200 -14.623  -6.668
   97   1H2     G   9          1H2         G   9  -2.688 -13.268  -7.570
   98   2H2     G   9          2H2         G   9  -1.376 -12.574  -6.647
   99   1H5*    A  10          1H5*        A  10  -0.146  -8.767  -1.292
  100   2H5*    A  10          2H5*        A  10  -0.666  -7.089  -1.040
  101    H4*    A  10           H4*        A  10   0.036  -7.429  -3.355
  102    H3*    A  10           H3*        A  10  -2.896  -6.908  -2.875
  103    H2*    A  10           H2*        A  10  -3.384  -7.196  -5.142
  104   2HO*    A  10          2HO*        A  10  -1.169  -7.356  -6.484
  105    H1*    A  10           H1*        A  10  -1.469  -9.130  -5.747
  106    H8     A  10           H8         A  10  -3.231 -10.204  -2.611
  107   1H6     A  10          1H6         A  10  -7.786 -12.326  -6.206
  108   2H6     A  10          2H6         A  10  -7.140 -12.283  -4.582
  109    H2     A  10           H2         A  10  -5.014  -9.897  -8.775
  110   1H5*    A  11          1H5*        A  11  -1.358  -3.891  -5.715
  111   2H5*    A  11          2H5*        A  11  -2.178  -2.327  -5.535
  112    H4*    A  11           H4*        A  11  -2.289  -3.316  -7.846
  113    H3*    A  11           H3*        A  11  -4.831  -2.701  -6.324
  114    H2*    A  11           H2*        A  11  -6.108  -3.494  -8.137
  115   2HO*    A  11          2HO*        A  11  -4.812  -4.038 -10.165
  116    H1*    A  11           H1*        A  11  -4.469  -5.604  -8.858
  117    H8     A  11           H8         A  11  -4.782  -5.513  -5.088
  118   1H6     A  11          1H6         A  11 -10.097  -8.596  -5.791
  119   2H6     A  11          2H6         A  11  -8.909  -8.024  -4.639
  120    H2     A  11           H2         A  11  -8.720  -7.257  -9.852
  121   1H5*    G  12          1H5*        G  12  -5.273   0.198  -9.798
  122   2H5*    G  12          2H5*        G  12  -5.956   1.663  -9.065
  123    H4*    G  12           H4*        G  12  -7.385   0.713 -10.867
  124    H3*    G  12           H3*        G  12  -8.471   0.868  -8.052
  125    H2*    G  12           H2*        G  12 -10.482  -0.141  -8.741
  126   2HO*    G  12          2HO*        G  12 -11.236  -0.058 -10.785
  127    H1*    G  12           H1*        G  12  -9.421  -1.929 -10.557
  128    H8     G  12           H8         G  12  -7.291  -1.808  -7.416
  129    H1     G  12           H1         G  12 -12.514  -5.460  -6.835
  130   1H2     G  12          1H2         G  12 -13.844  -5.162  -8.587
  131   2H2     G  12          2H2         G  12 -13.448  -4.066  -9.891
  132   1H5*    A  13          1H5*        A  13 -11.410   1.739  -9.984
  133   2H5*    A  13          2H5*        A  13 -11.929   3.437  -9.998
  134    H4*    A  13           H4*        A  13 -13.954   2.451  -9.611
  135    H3*    A  13           H3*        A  13 -12.708   2.751  -6.871
  136    H2*    A  13           H2*        A  13 -14.501   1.582  -5.916
  137   2HO*    A  13          2HO*        A  13 -16.184   2.748  -6.860
  138    H1*    A  13           H1*        A  13 -14.976  -0.191  -8.013
  139    H8     A  13           H8         A  13 -11.346   0.327  -6.786
  140   1H6     A  13          1H6         A  13 -12.385  -4.592  -3.193
  141   2H6     A  13          2H6         A  13 -11.189  -3.438  -3.738
  142    H2     A  13           H2         A  13 -16.244  -3.532  -5.239
  143   1H5*    A  14          1H5*        A  14 -17.136   4.265  -7.306
  144   2H5*    A  14          2H5*        A  14 -17.247   5.637  -6.185
  145    H4*    A  14           H4*        A  14 -19.151   4.025  -6.010
  146    H3*    A  14           H3*        A  14 -17.389   4.592  -3.631
  147    H2*    A  14           H2*        A  14 -18.517   2.998  -2.325
  148   2HO*    A  14          2HO*        A  14 -20.628   3.856  -3.403
  149    H1*    A  14           H1*        A  14 -18.910   1.079  -4.248
  150    H8     A  14           H8         A  14 -15.487   2.822  -4.402
  151   1H6     A  14          1H6         A  14 -13.508  -1.646  -0.636
  152   2H6     A  14          2H6         A  14 -13.039  -0.273  -1.610
  153    H2     A  14           H2         A  14 -17.966  -2.075  -1.064
  154   1H5*    C  15          1H5*        C  15 -21.546   4.997  -2.194
  155   2H5*    C  15          2H5*        C  15 -21.616   6.434  -1.156
  156    H4*    C  15           H4*        C  15 -22.508   4.441  -0.017
  157    H3*    C  15           H3*        C  15 -19.979   5.671   1.088
  158    H2*    C  15           H2*        C  15 -19.848   4.000   2.728
  159   2HO*    C  15          2HO*        C  15 -22.196   4.320   3.204
  160    H1*    C  15           H1*        C  15 -20.893   1.888   1.234
  161   1H4     C  15          1H4         C  15 -14.624   0.833   1.227
  162   2H4     C  15          2H4         C  15 -14.366   2.176   0.136
  163    H5     C  15           H5         C  15 -16.132   3.633  -0.604
  164    H6     C  15           H6         C  15 -18.527   4.132  -0.446
  165   1H5*    C  16          1H5*        C  16 -22.167   5.378   4.690
  166   2H5*    C  16          2H5*        C  16 -21.921   6.896   5.576
  167    H4*    C  16           H4*        C  16 -21.085   4.985   6.863
  168    H3*    C  16           H3*        C  16 -19.052   6.964   5.837
  169    H2*    C  16           H2*        C  16 -17.291   5.674   6.648
  170   2HO*    C  16          2HO*        C  16 -18.724   3.916   8.224
  171    H1*    C  16           H1*        C  16 -18.487   3.141   6.419
  172   1H4     C  16          1H4         C  16 -14.150   3.217   1.790
  173   2H4     C  16          2H4         C  16 -14.994   4.502   0.953
  174    H5     C  16           H5         C  16 -16.990   5.549   1.810
  175    H6     C  16           H6         C  16 -18.588   5.609   3.669
  176   1H5*    G  17          1H5*        G  17 -19.052   6.391  10.616
  177   2H5*    G  17          2H5*        G  17 -18.677   8.033  11.172
  178    H4*    G  17           H4*        G  17 -17.421   6.362  12.453
  179    H3*    G  17           H3*        G  17 -15.845   8.212  10.664
  180    H2*    G  17           H2*        G  17 -13.842   7.121  11.209
  181   2HO*    G  17          2HO*        G  17 -14.883   5.497  13.219
  182    H1*    G  17           H1*        G  17 -14.811   4.535  11.371
  183    H8     G  17           H8         G  17 -16.213   6.426   8.379
  184    H1     G  17           H1         G  17 -10.490   3.770   7.304
  185   1H2     G  17          1H2         G  17  -9.642   2.997   9.206
  186   2H2     G  17          2H2         G  17 -10.481   3.137  10.735
  187   1H5*    G  18          1H5*        G  18 -13.546   7.508  13.875
  188   2H5*    G  18          2H5*        G  18 -13.175   9.018  14.731
  189    H4*    G  18           H4*        G  18 -11.130   7.752  14.395
  190    H3*    G  18           H3*        G  18 -11.395  10.271  12.752
  191    H2*    G  18           H2*        G  18  -9.422   9.812  11.615
  192   2HO*    G  18          2HO*        G  18  -8.671   8.137  13.797
  193    H1*    G  18           H1*        G  18  -9.442   6.983  11.880
  194    H8     G  18           H8         G  18 -12.505   8.544  10.214
  195    H1     G  18           H1         G  18  -7.695   7.289   6.186
  196   1H2     G  18          1H2         G  18  -5.884   6.690   7.325
  197   2H2     G  18          2H2         G  18  -5.863   6.601   9.072
  198   1H5*    G  19          1H5*        G  19  -7.290   9.710  14.313
  199   2H5*    G  19          2H5*        G  19  -6.826  11.270  15.020
  200    H4*    G  19           H4*        G  19  -5.104  10.321  13.485
  201    H3*    G  19           H3*        G  19  -6.367  12.990  12.894
  202    H2*    G  19           H2*        G  19  -5.329  13.136  10.823
  203   2HO*    G  19          2HO*        G  19  -3.340  12.160  10.392
  204    H1*    G  19           H1*        G  19  -4.984  10.368  10.309
  205    H8     G  19           H8         G  19  -8.517  11.722  11.001
  206    H1     G  19           H1         G  19  -6.848  11.644   4.822
  207   1H2     G  19          1H2         G  19  -4.706  11.100   4.618
  208   2H2     G  19          2H2         G  19  -3.690  10.757   6.001
  209   1H5*    G  20          1H5*        G  20  -4.812  16.949  13.595
  210   2H5*    G  20          2H5*        G  20  -6.249  16.701  12.584
  211    H4*    G  20           H4*        G  20  -3.349  16.565  11.867
  212    H3*    G  20           H3*        G  20  -5.829  17.805  10.741
  213    H2*    G  20           H2*        G  20  -5.318  17.279   8.518
  214   2HO*    G  20          2HO*        G  20  -2.787  17.602   9.397
  215    H1*    G  20           H1*        G  20  -4.263  14.800   8.827
  216    H8     G  20           H8         G  20  -6.921  14.768  11.414
  217    H1     G  20           H1         G  20  -9.397  14.584   5.517
  218   1H2     G  20          1H2         G  20  -7.830  15.021   4.022
  219   2H2     G  20          2H2         G  20  -6.175  15.365   4.468
  220   1H5*    A  21          1H5*        A  21  -6.520  21.886  11.232
  221   2H5*    A  21          2H5*        A  21  -7.160  20.490  10.340
  222    H4*    A  21           H4*        A  21  -7.500  22.970   9.462
  223    H3*    A  21           H3*        A  21  -7.106  20.426   7.949
  224    H2*    A  21           H2*        A  21  -6.552  21.457   5.926
  225   2HO*    A  21          2HO*        A  21  -8.246  22.881   5.739
  226    H1*    A  21           H1*        A  21  -5.126  23.602   6.807
  227    H8     A  21           H8         A  21  -4.432  20.498   8.931
  228   1H6     A  21          1H6         A  21   0.051  19.206   4.900
  229   2H6     A  21          2H6         A  21  -0.679  18.776   6.430
  230    H2     A  21           H2         A  21  -2.304  22.667   3.267
  231   1H5*    A  22          1H5*        A  22 -10.083  19.422   4.740
  232   2H5*    A  22          2H5*        A  22  -8.870  18.155   5.009
  233    H4*    A  22           H4*        A  22  -8.812  20.510   3.217
  234    H3*    A  22           H3*        A  22  -7.804  17.697   3.178
  235    H2*    A  22           H2*        A  22  -5.772  18.203   2.188
  236   2HO*    A  22          2HO*        A  22  -5.891  19.353   0.445
  237    H1*    A  22           H1*        A  22  -5.348  20.789   3.096
  238    H8     A  22           H8         A  22  -6.017  19.367   6.313
  239   1H6     A  22          1H6         A  22  -0.704  16.232   6.101
  240   2H6     A  22          2H6         A  22  -2.006  16.789   7.126
  241    H2     A  22           H2         A  22  -1.627  17.667   1.939
  242   1H5*    A  23          1H5*        A  23  -8.206  17.223  -2.204
  243   2H5*    A  23          2H5*        A  23  -8.264  15.686  -1.317
  244    H4*    A  23           H4*        A  23  -6.209  16.617  -2.996
  245    H3*    A  23           H3*        A  23  -6.604  14.252  -1.209
  246    H2*    A  23           H2*        A  23  -4.322  13.844  -0.915
  247   2HO*    A  23          2HO*        A  23  -4.181  14.958  -3.432
  248    H1*    A  23           H1*        A  23  -3.355  16.392  -0.849
  249    H8     A  23           H8         A  23  -6.716  16.046   0.954
  250   1H6     A  23          1H6         A  23  -3.408  14.720   6.003
  251   2H6     A  23          2H6         A  23  -5.012  15.066   5.390
  252    H2     A  23           H2         A  23  -0.586  14.906   2.494
  253   1H5*    C  24          1H5*        C  24  -4.525  12.452  -3.796
  254   2H5*    C  24          2H5*        C  24  -4.942  10.777  -4.210
  255    H4*    C  24           H4*        C  24  -2.973  10.997  -2.675
  256    H3*    C  24           H3*        C  24  -5.418   9.444  -1.832
  257    H2*    C  24           H2*        C  24  -4.509   9.046   0.291
  258   2HO*    C  24          2HO*        C  24  -2.050   9.891   0.321
  259    H1*    C  24           H1*        C  24  -3.175  11.452   0.636
  260   1H4     C  24          1H4         C  24  -8.549  12.144   3.971
  261   2H4     C  24          2H4         C  24  -9.477  12.318   2.498
  262    H5     C  24           H5         C  24  -8.518  12.089   0.299
  263    H6     C  24           H6         C  24  -6.465  11.650  -0.963
  264   1H5*    U  25          1H5*        U  25  -2.430   7.587  -0.430
  265   2H5*    U  25          2H5*        U  25  -2.232   5.866  -0.820
  266    H4*    U  25           H4*        U  25  -2.120   6.163   1.583
  267    H3*    U  25           H3*        U  25  -4.614   4.801   0.562
  268    H2*    U  25           H2*        U  25  -5.507   4.715   2.718
  269   2HO*    U  25          2HO*        U  25  -3.172   5.386   4.084
  270    H1*    U  25           H1*        U  25  -4.295   7.038   3.754
  271    H3     U  25           H3         U  25  -8.685   7.938   4.308
  272    H5     U  25           H5         U  25  -8.128   8.137   0.136
  273    H6     U  25           H6         U  25  -5.864   7.334   0.467
  274   1H5*    U  26          1H5*        U  26  -3.126   3.291   3.778
  275   2H5*    U  26          2H5*        U  26  -2.411   1.666   3.776
  276    H4*    U  26           H4*        U  26  -3.473   1.656   5.822
  277    H3*    U  26           H3*        U  26  -5.453   0.621   3.794
  278    H2*    U  26           H2*        U  26  -7.149   0.576   5.397
  279   2HO*    U  26          2HO*        U  26  -5.193   0.850   7.448
  280    H1*    U  26           H1*        U  26  -6.405   2.808   6.870
  281    H3     U  26           H3         U  26 -10.287   4.345   5.196
  282    H5     U  26           H5         U  26  -7.968   3.651   1.750
  283    H6     U  26           H6         U  26  -6.237   2.730   3.181
  284   1H5*    G  27          1H5*        G  27  -5.770  -1.349   7.183
  285   2H5*    G  27          2H5*        G  27  -6.212  -3.068   7.154
  286    H4*    G  27           H4*        G  27  -7.891  -1.713   8.342
  287    H3*    G  27           H3*        G  27  -8.766  -3.000   5.745
  288    H2*    G  27           H2*        G  27 -10.873  -2.031   5.983
  289   2HO*    G  27          2HO*        G  27 -11.315  -2.853   8.036
  290    H1*    G  27           H1*        G  27 -10.060   0.230   7.504
  291    H8     G  27           H8         G  27  -8.520  -0.389   4.021
  292    H1     G  27           H1         G  27 -13.827   3.190   4.037
  293   1H2     G  27          1H2         G  27 -14.714   3.216   6.075
  294   2H2     G  27          2H2         G  27 -13.995   2.358   7.419
  295   1H5*    G  28          1H5*        G  28 -11.681  -4.510   9.004
  296   2H5*    G  28          2H5*        G  28 -11.404  -6.258   8.870
  297    H4*    G  28           H4*        G  28 -13.721  -6.138   8.991
  298    H3*    G  28           H3*        G  28 -12.871  -6.235   6.106
  299    H2*    G  28           H2*        G  28 -15.053  -5.823   5.341
  300   2HO*    G  28          2HO*        G  28 -16.807  -5.839   7.055
  301    H1*    G  28           H1*        G  28 -15.835  -3.988   7.208
  302    H8     G  28           H8         G  28 -12.173  -3.791   5.999
  303    H1     G  28           H1         G  28 -16.300  -0.270   2.600
  304   1H2     G  28          1H2         G  28 -18.373  -0.616   3.330
  305   2H2     G  28          2H2         G  28 -18.739  -1.743   4.617
  306   1H5*    U  29          1H5*        U  29 -16.339  -7.915   6.119
  307   2H5*    U  29          2H5*        U  29 -16.359  -9.582   5.511
  308    H4*    U  29           H4*        U  29 -18.049  -8.315   4.343
  309    H3*    U  29           H3*        U  29 -15.613  -8.962   2.672
  310    H2*    U  29           H2*        U  29 -16.483  -7.749   0.887
  311   2HO*    U  29          2HO*        U  29 -19.014  -7.261   1.401
  312    H1*    U  29           H1*        U  29 -18.061  -5.923   2.388
  313    H3     U  29           H3         U  29 -15.548  -3.173  -0.174
  314    H5     U  29           H5         U  29 -12.765  -4.930   2.463
  315    H6     U  29           H6         U  29 -14.545  -6.361   3.281
  316   1H5*    U  30          1H5*        U  30 -19.591  -9.838   0.790
  317   2H5*    U  30          2H5*        U  30 -19.459 -11.355  -0.122
  318    H4*    U  30           H4*        U  30 -20.567  -9.629  -1.458
  319    H3*    U  30           H3*        U  30 -17.809 -10.461  -2.396
  320    H2*    U  30           H2*        U  30 -17.996  -8.963  -4.204
  321   2HO*    U  30          2HO*        U  30 -20.063  -7.979  -4.702
  322    H1*    U  30           H1*        U  30 -19.310  -6.931  -2.852
  323    H3     U  30           H3         U  30 -15.324  -5.001  -3.677
  324    H5     U  30           H5         U  30 -14.405  -8.004  -0.864
  325    H6     U  30           H6         U  30 -16.704  -8.767  -1.029
  326   1H5*    C  31          1H5*        C  31 -20.079  -9.897  -5.469
  327   2H5*    C  31          2H5*        C  31 -20.099 -11.180  -6.695
  328    H4*    C  31           H4*        C  31 -19.593  -9.082  -7.775
  329    H3*    C  31           H3*        C  31 -17.190 -10.912  -7.530
  330    H2*    C  31           H2*        C  31 -15.886  -9.290  -8.597
  331   2HO*    C  31          2HO*        C  31 -18.351  -8.410  -9.689
  332    H1*    C  31           H1*        C  31 -17.351  -7.026  -7.714
  333   1H4     C  31          1H4         C  31 -11.811  -6.579  -4.647
  334   2H4     C  31          2H4         C  31 -12.189  -7.988  -3.680
  335    H5     C  31           H5         C  31 -14.179  -9.309  -3.993
  336    H6     C  31           H6         C  31 -16.228  -9.575  -5.312
  337   1H5*    U  32          1H5*        U  32 -17.141 -10.008 -11.757
  338   2H5*    U  32          2H5*        U  32 -16.768 -11.538 -12.579
  339    H4*    U  32           H4*        U  32 -15.118  -9.792 -13.119
  340    H3*    U  32           H3*        U  32 -14.168 -12.182 -11.534
  341    H2*    U  32           H2*        U  32 -12.043 -11.261 -11.321
  342   2HO*    U  32          2HO*        U  32 -11.094 -10.372 -12.976
  343    H1*    U  32           H1*        U  32 -12.773  -8.524 -11.472
  344    H3     U  32           H3         U  32 -10.580  -8.535  -7.551
  345    H5     U  32           H5         U  32 -13.904 -11.011  -6.811
  346    H6     U  32           H6         U  32 -14.476 -10.831  -9.165
  347   1H5*    U  33          1H5*        U  33 -11.875 -11.129 -15.130
  348   2H5*    U  33          2H5*        U  33 -11.285 -12.545 -16.023
  349    H4*    U  33           H4*        U  33  -9.524 -10.845 -15.725
  350    H3*    U  33           H3*        U  33  -9.180 -13.539 -14.427
  351    H2*    U  33           H2*        U  33  -7.286 -12.864 -13.279
  352   2HO*    U  33          2HO*        U  33  -6.945 -10.864 -15.278
  353    H1*    U  33           H1*        U  33  -7.796 -10.077 -13.168
  354    H3     U  33           H3         U  33  -7.117 -10.966  -8.797
  355    H5     U  33           H5         U  33 -10.661 -13.057  -9.709
  356    H6     U  33           H6         U  33 -10.345 -12.451 -12.037
  357   1H5*    C  34          1H5*        C  34  -4.583 -15.158 -15.383
  358   2H5*    C  34          2H5*        C  34  -5.796 -14.724 -14.162
  359    H4*    C  34           H4*        C  34  -3.736 -12.674 -14.873
  360    H3*    C  34           H3*        C  34  -3.080 -15.270 -13.532
  361    H2*    C  34           H2*        C  34  -2.172 -14.280 -11.646
  362   2HO*    C  34          2HO*        C  34  -1.185 -12.251 -11.695
  363    H1*    C  34           H1*        C  34  -3.560 -11.842 -11.629
  364   1H4     C  34          1H4         C  34  -5.790 -15.406  -6.799
  365   2H4     C  34          2H4         C  34  -7.109 -15.894  -7.838
  366    H5     C  34           H5         C  34  -7.229 -15.328 -10.177
  367    H6     C  34           H6         C  34  -6.094 -14.203 -12.030
  368   1H5*    C  35          1H5*        C  35   1.743 -16.087 -13.708
  369   2H5*    C  35          2H5*        C  35   0.716 -17.000 -12.584
  370    H4*    C  35           H4*        C  35   2.574 -14.704 -12.046
  371    H3*    C  35           H3*        C  35   2.176 -17.471 -11.000
  372    H2*    C  35           H2*        C  35   2.309 -16.885  -8.761
  373   2HO*    C  35          2HO*        C  35   3.888 -14.742  -9.720
  374    H1*    C  35           H1*        C  35   1.364 -14.274  -8.825
  375   1H4     C  35          1H4         C  35  -3.313 -17.956  -6.473
  376   2H4     C  35          2H4         C  35  -4.011 -18.013  -8.075
  377    H5     C  35           H5         C  35  -2.920 -17.120 -10.024
  378    H6     C  35           H6         C  35  -0.923 -15.972 -10.862
  379   1H5*    U  36          1H5*        U  36   6.219 -20.202 -10.393
  380   2H5*    U  36          2H5*        U  36   4.498 -19.849 -10.134
  381    H4*    U  36           H4*        U  36   6.614 -18.739  -8.288
  382    H3*    U  36           H3*        U  36   5.603 -21.552  -8.374
  383    H2*    U  36           H2*        U  36   4.825 -21.553  -6.202
  384   2HO*    U  36          2HO*        U  36   6.855 -19.624  -5.698
  385    H1*    U  36           H1*        U  36   4.508 -18.767  -5.772
  386    H3     U  36           H3         U  36   0.619 -20.885  -4.546
  387    H5     U  36           H5         U  36   0.406 -20.396  -8.726
  388    H6     U  36           H6         U  36   2.732 -19.706  -8.698
  389   1H5*    A  37          1H5*        A  37   7.483 -24.706  -5.964
  390   2H5*    A  37          2H5*        A  37   5.863 -24.452  -6.645
  391    H4*    A  37           H4*        A  37   6.510 -23.906  -3.739
  392    H3*    A  37           H3*        A  37   6.627 -26.473  -4.740
  393    H2*    A  37           H2*        A  37   4.431 -26.708  -5.515
  394   2HO*    A  37          2HO*        A  37   3.952 -28.168  -4.079
  395    H1*    A  37           H1*        A  37   3.209 -25.015  -3.378
  396    H8     A  37           H8         A  37   3.767 -24.741  -7.234
  397   1H6     A  37          1H6         A  37  -2.390 -24.364  -7.543
  398   2H6     A  37          2H6         A  37  -0.900 -24.347  -8.459
  399    H2     A  37           H2         A  37  -1.253 -24.899  -3.227
  400   1H5*    A  38          1H5*        A  38   7.690 -28.831  -0.827
  401   2H5*    A  38          2H5*        A  38   6.280 -27.845  -1.264
  402    H4*    A  38           H4*        A  38   8.027 -27.456   1.190
  403    H3*    A  38           H3*        A  38   5.524 -29.002   0.768
  404    H2*    A  38           H2*        A  38   4.248 -27.894   2.357
  405   2HO*    A  38          2HO*        A  38   5.230 -27.907   4.225
  406    H1*    A  38           H1*        A  38   5.338 -25.369   2.306
  407    H8     A  38           H8         A  38   5.041 -25.911  -1.286
  408   1H6     A  38          1H6         A  38  -1.073 -25.173  -0.824
  409   2H6     A  38          2H6         A  38   0.288 -25.248  -1.919
  410    H2     A  38           H2         A  38   0.567 -25.748   3.322
  411   1H5*    G  39          1H5*        G  39   4.644 -32.149   4.957
  412   2H5*    G  39          2H5*        G  39   4.156 -31.890   3.269
  413    H4*    G  39           H4*        G  39   3.476 -30.211   5.697
  414    H3*    G  39           H3*        G  39   1.938 -32.023   3.891
  415    H2*    G  39           H2*        G  39   0.220 -30.508   3.467
  416   2HO*    G  39          2HO*        G  39   0.309 -28.483   4.981
  417    H1*    G  39           H1*        G  39   1.590 -28.137   3.479
  418    H8     G  39           H8         G  39   3.921 -30.282   1.589
  419    H1     G  39           H1         G  39  -1.302 -28.907  -1.847
  420   1H2     G  39          1H2         G  39  -2.876 -28.062  -0.532
  421   2H2     G  39          2H2         G  39  -2.642 -27.834   1.187
  422   1H5*    U  40          1H5*        U  40  -1.361 -30.945   6.741
  423   2H5*    U  40          2H5*        U  40  -1.899 -32.555   7.262
  424    H4*    U  40           H4*        U  40  -3.744 -31.138   6.371
  425    H3*    U  40           H3*        U  40  -3.054 -33.768   5.096
  426    H2*    U  40           H2*        U  40  -4.510 -33.432   3.298
  427   2HO*    U  40          2HO*        U  40  -5.753 -31.424   4.895
  428    H1*    U  40           H1*        U  40  -4.219 -30.719   2.957
  429    H3     U  40           H3         U  40  -2.326 -32.554  -0.747
  430    H5     U  40           H5         U  40   0.564 -33.052   2.281
  431    H6     U  40           H6         U  40  -1.073 -32.255   3.884
  432   1H5*    C  41          1H5*        C  41  -6.889 -33.325   5.267
  433   2H5*    C  41          2H5*        C  41  -7.997 -34.473   6.047
  434    H4*    C  41           H4*        C  41  -8.900 -34.059   3.891
  435    H3*    C  41           H3*        C  41  -7.445 -36.698   4.040
  436    H2*    C  41           H2*        C  41  -7.762 -37.069   1.756
  437   2HO*    C  41          2HO*        C  41  -9.963 -35.341   2.101
  438    H1*    C  41           H1*        C  41  -7.658 -34.423   0.877
  439   1H4     C  41          1H4         C  41  -2.019 -36.853  -0.762
  440   2H4     C  41          2H4         C  41  -1.514 -36.904   0.911
  441    H5     C  41           H5         C  41  -2.953 -36.292   2.743
  442    H6     C  41           H6         C  41  -5.192 -35.517   3.369
  443   1H5*    C  42          1H5*        C  42 -10.820 -36.917   1.878
  444   2H5*    C  42          2H5*        C  42 -11.977 -38.195   2.301
  445    H4*    C  42           H4*        C  42 -11.658 -38.213  -0.089
  446    H3*    C  42           H3*        C  42 -10.351 -40.518   1.365
  447    H2*    C  42           H2*        C  42  -9.488 -41.339  -0.656
  448   2HO*    C  42          2HO*        C  42 -10.901 -39.583  -2.311
  449    H1*    C  42           H1*        C  42  -8.968 -38.902  -1.881
  450   1H4     C  42          1H4         C  42  -3.294 -40.758   0.311
  451   2H4     C  42          2H4         C  42  -3.790 -40.443   1.958
  452    H5     C  42           H5         C  42  -6.011 -39.738   2.558
  453    H6     C  42           H6         C  42  -8.246 -39.196   1.710
  454   1H5*    U  43          1H5*        U  43 -11.679 -41.727  -2.090
  455   2H5*    U  43          2H5*        U  43 -12.666 -43.202  -2.073
  456    H4*    U  43           H4*        U  43 -10.811 -43.395  -3.667
  457    H3*    U  43           H3*        U  43 -10.781 -45.186  -1.251
  458    H2*    U  43           H2*        U  43  -8.630 -45.865  -1.646
  459   2HO*    U  43          2HO*        U  43  -9.304 -45.638  -4.399
  460    H1*    U  43           H1*        U  43  -7.965 -43.794  -3.594
  461    H3     U  43           H3         U  43  -4.008 -43.998  -1.471
  462    H5     U  43           H5         U  43  -6.705 -42.890   1.576
  463    H6     U  43           H6         U  43  -8.514 -43.188  -0.014
  464    H3T    U  43           H3T        U  43 -12.244 -45.525  -2.991
  465   1H5*    G  44          1H5*        G  44  -6.195  43.865   6.411
  466   2H5*    G  44          2H5*        G  44  -7.086  42.557   5.606
  467    H4*    G  44           H4*        G  44  -6.379  43.709   3.758
  468    H3*    G  44           H3*        G  44  -4.260  41.700   4.431
  469    H2*    G  44           H2*        G  44  -2.662  42.656   3.006
  470   2HO*    G  44          2HO*        G  44  -3.289  44.240   1.414
  471    H1*    G  44           H1*        G  44  -3.163  45.291   3.431
  472    H8     G  44           H8         G  44  -3.704  43.619   6.759
  473    H1     G  44           H1         G  44   2.499  44.380   5.357
  474   1H2     G  44          1H2         G  44   2.725  45.016   3.241
  475   2H2     G  44          2H2         G  44   1.356  45.249   2.178
  476    H5T    G  44           H5T        G  44  -5.391  42.097   7.328
  477   1H5*    G  45          1H5*        G  45  -3.682  42.254   0.661
  478   2H5*    G  45          2H5*        G  45  -3.728  40.775  -0.318
  479    H4*    G  45           H4*        G  45  -1.620  42.025  -0.623
  480    H3*    G  45           H3*        G  45  -1.479  39.285   0.641
  481    H2*    G  45           H2*        G  45   0.810  39.511   0.990
  482   2HO*    G  45          2HO*        G  45   1.463  41.649  -0.534
  483    H1*    G  45           H1*        G  45   0.911  42.347   1.151
  484    H8     G  45           H8         G  45  -1.446  40.979   3.732
  485    H1     G  45           H1         G  45   4.706  40.485   5.449
  486   1H2     G  45          1H2         G  45   6.011  40.909   3.715
  487   2H2     G  45          2H2         G  45   5.375  41.315   2.137
  488   1H5*    G  46          1H5*        G  46   1.131  39.556  -2.295
  489   2H5*    G  46          2H5*        G  46   1.213  38.382  -3.624
  490    H4*    G  46           H4*        G  46   3.429  38.610  -2.775
  491    H3*    G  46           H3*        G  46   2.075  36.065  -1.881
  492    H2*    G  46           H2*        G  46   3.874  35.511  -0.514
  493   2HO*    G  46          2HO*        G  46   5.497  37.318  -2.005
  494    H1*    G  46           H1*        G  46   4.778  38.124   0.065
  495    H8     G  46           H8         G  46   1.090  37.344   0.780
  496    H1     G  46           H1         G  46   5.075  36.003   5.609
  497   1H2     G  46          1H2         G  46   7.184  36.240   4.931
  498   2H2     G  46          2H2         G  46   7.597  36.719   3.302
  499   1H5*    A  47          1H5*        A  47   6.242  35.108  -3.544
  500   2H5*    A  47          2H5*        A  47   5.992  33.641  -4.511
  501    H4*    A  47           H4*        A  47   7.904  33.452  -2.934
  502    H3*    A  47           H3*        A  47   5.553  31.587  -2.688
  503    H2*    A  47           H2*        A  47   6.387  30.632  -0.728
  504   2HO*    A  47          2HO*        A  47   8.768  31.308  -0.241
  505    H1*    A  47           H1*        A  47   7.665  32.858   0.350
  506    H8     A  47           H8         A  47   4.081  33.371  -0.962
  507   1H6     A  47          1H6         A  47   2.271  32.146   4.813
  508   2H6     A  47          2H6         A  47   1.758  32.668   3.224
  509    H2     A  47           H2         A  47   6.700  31.409   4.569
  510   1H5*    U  48          1H5*        U  48   8.784  29.232  -2.094
  511   2H5*    U  48          2H5*        U  48   8.675  27.637  -2.863
  512    H4*    U  48           H4*        U  48   8.879  27.509  -0.389
  513    H3*    U  48           H3*        U  48   6.448  26.405  -1.772
  514    H2*    U  48           H2*        U  48   5.342  25.999   0.228
  515   2HO*    U  48          2HO*        U  48   7.063  26.189   2.188
  516    H1*    U  48           H1*        U  48   6.522  27.996   1.824
  517    H3     U  48           H3         U  48   2.168  29.110   2.176
  518    H5     U  48           H5         U  48   3.071  29.879  -1.868
  519    H6     U  48           H6         U  48   5.262  28.904  -1.496
  520   1H5*    A  49          1H5*        A  49   8.610  21.560  -0.920
  521   2H5*    A  49          2H5*        A  49   6.944  20.973  -0.753
  522    H4*    A  49           H4*        A  49   8.830  21.801   1.474
  523    H3*    A  49           H3*        A  49   8.545  19.293   0.277
  524    H2*    A  49           H2*        A  49   6.473  18.646   1.075
  525   2HO*    A  49          2HO*        A  49   7.345  17.264   2.429
  526    H1*    A  49           H1*        A  49   6.489  20.281   3.551
  527    H8     A  49           H8         A  49   4.746  20.414   0.057
  528   1H6     A  49          1H6         A  49  -0.508  20.006   3.286
  529   2H6     A  49          2H6         A  49   0.186  20.138   1.687
  530    H2     A  49           H2         A  49   2.911  19.910   6.193
  531   1H5*    U  50          1H5*        U  50  10.451  18.851   5.719
  532   2H5*    U  50          2H5*        U  50  10.026  17.250   5.081
  533    H4*    U  50           H4*        U  50   9.390  17.259   7.381
  534    H3*    U  50           H3*        U  50   7.485  16.687   5.510
  535    H2*    U  50           H2*        U  50   6.459  18.795   5.344
  536   2HO*    U  50          2HO*        U  50   4.968  17.228   6.404
  537    H1*    U  50           H1*        U  50   6.683  19.412   8.261
  538    H3     U  50           H3         U  50   8.713  23.634   6.761
  539    H5     U  50           H5         U  50   5.012  22.776   4.935
  540    H6     U  50           H6         U  50   5.183  20.514   5.801
  541   1H5*    G  51          1H5*        G  51   3.759  17.282   7.921
  542   2H5*    G  51          2H5*        G  51   3.790  15.631   8.574
  543    H4*    G  51           H4*        G  51   1.593  15.851   7.823
  544    H3*    G  51           H3*        G  51   3.283  14.478   5.749
  545    H2*    G  51           H2*        G  51   1.599  14.568   4.141
  546   2HO*    G  51          2HO*        G  51  -0.102  13.691   5.223
  547    H1*    G  51           H1*        G  51   0.419  16.973   4.822
  548    H8     G  51           H8         G  51   4.181  17.338   4.826
  549    H1     G  51           H1         G  51   1.647  17.497  -1.048
  550   1H2     G  51          1H2         G  51  -0.494  16.941  -0.970
  551   2H2     G  51          2H2         G  51  -1.301  16.529   0.526
  552   1H5*    G  52          1H5*        G  52   2.828  10.895   3.923
  553   2H5*    G  52          2H5*        G  52   2.743  12.668   3.948
  554    H4*    G  52           H4*        G  52   0.217  11.264   3.270
  555    H3*    G  52           H3*        G  52   2.669  11.006   1.537
  556    H2*    G  52           H2*        G  52   1.478  11.647  -0.382
  557   2HO*    G  52          2HO*        G  52  -0.953  11.817  -0.128
  558    H1*    G  52           H1*        G  52  -0.157  13.550   0.734
  559    H8     G  52           H8         G  52   3.017  14.382   2.377
  560    H1     G  52           H1         G  52   3.300  15.658  -3.890
  561   1H2     G  52          1H2         G  52   1.570  14.721  -4.927
  562   2H2     G  52          2H2         G  52   0.357  13.790  -4.082
  563   1H5*    A  53          1H5*        A  53  -0.424   8.426  -0.095
  564   2H5*    A  53          2H5*        A  53   0.114   6.734  -0.100
  565    H4*    A  53           H4*        A  53  -0.973   7.171  -2.198
  566    H3*    A  53           H3*        A  53   2.013   6.876  -2.320
  567    H2*    A  53           H2*        A  53   2.121   7.527  -4.567
  568   2HO*    A  53          2HO*        A  53  -0.686   7.409  -4.881
  569    H1*    A  53           H1*        A  53   0.214   9.479  -4.581
  570    H8     A  53           H8         A  53   2.081   9.790  -1.322
  571   1H6     A  53          1H6         A  53   6.447  12.862  -4.428
  572   2H6     A  53          2H6         A  53   5.864  12.400  -2.845
  573    H2     A  53           H2         A  53   3.606  11.091  -7.426
  574   1H5*    A  54          1H5*        A  54   0.702   5.197  -5.891
  575   2H5*    A  54          2H5*        A  54   1.375   3.564  -6.054
  576    H4*    A  54           H4*        A  54   1.829   4.964  -8.037
  577    H3*    A  54           H3*        A  54   4.205   4.069  -6.390
  578    H2*    A  54           H2*        A  54   5.643   5.219  -7.845
  579   2HO*    A  54          2HO*        A  54   5.117   4.625  -9.842
  580    H1*    A  54           H1*        A  54   3.963   7.361  -8.438
  581    H8     A  54           H8         A  54   4.103   6.650  -4.709
  582   1H6     A  54          1H6         A  54   9.101  10.267  -4.557
  583   2H6     A  54          2H6         A  54   7.926   9.397  -3.602
  584    H2     A  54           H2         A  54   8.054   9.537  -8.871
  585   1H5*    G  55          1H5*        G  55   5.128   2.633 -10.592
  586   2H5*    G  55          2H5*        G  55   5.679   0.965 -10.344
  587    H4*    G  55           H4*        G  55   7.298   2.162 -11.697
  588    H3*    G  55           H3*        G  55   8.192   1.498  -8.888
  589    H2*    G  55           H2*        G  55  10.248   2.595  -9.256
  590   2HO*    G  55          2HO*        G  55  10.272   3.328 -11.782
  591    H1*    G  55           H1*        G  55   9.313   4.700 -10.748
  592    H8     G  55           H8         G  55   7.135   3.660  -7.757
  593    H1     G  55           H1         G  55  11.792   7.799  -6.332
  594   1H2     G  55          1H2         G  55  13.111   8.101  -8.091
  595   2H2     G  55          2H2         G  55  12.840   7.284  -9.613
  596   1H5*    A  56          1H5*        A  56  11.454   0.964 -11.246
  597   2H5*    A  56          2H5*        A  56  12.175  -0.639 -10.986
  598    H4*    A  56           H4*        A  56  13.874   1.078 -10.719
  599    H3*    A  56           H3*        A  56  13.025  -0.308  -8.167
  600    H2*    A  56           H2*        A  56  14.449   1.057  -6.932
  601   2HO*    A  56          2HO*        A  56  15.938   2.071  -9.047
  602    H1*    A  56           H1*        A  56  14.433   3.300  -8.673
  603    H8     A  56           H8         A  56  11.061   2.063  -7.316
  604   1H6     A  56          1H6         A  56  11.942   6.062  -2.692
  605   2H6     A  56          2H6         A  56  10.810   4.961  -3.444
  606    H2     A  56           H2         A  56  15.713   5.917  -5.135
  607   1H5*    A  57          1H5*        A  57  17.193  -0.373  -8.522
  608   2H5*    A  57          2H5*        A  57  17.893  -1.999  -8.410
  609    H4*    A  57           H4*        A  57  19.257  -0.694  -7.016
  610    H3*    A  57           H3*        A  57  17.162  -2.078  -5.322
  611    H2*    A  57           H2*        A  57  18.079  -1.048  -3.412
  612   2HO*    A  57          2HO*        A  57  20.314  -0.104  -4.869
  613    H1*    A  57           H1*        A  57  18.673   1.396  -4.576
  614    H8     A  57           H8         A  57  15.264  -0.219  -5.391
  615   1H6     A  57          1H6         A  57  13.082   3.071  -0.642
  616   2H6     A  57          2H6         A  57  12.663   2.020  -1.975
  617    H2     A  57           H2         A  57  17.547   3.586  -0.749
  618   1H5*    C  58          1H5*        C  58  20.903  -2.792  -3.645
  619   2H5*    C  58          2H5*        C  58  21.190  -4.476  -3.167
  620    H4*    C  58           H4*        C  58  21.700  -3.071  -1.285
  621    H3*    C  58           H3*        C  58  19.075  -4.548  -0.979
  622    H2*    C  58           H2*        C  58  18.765  -3.533   1.112
  623   2HO*    C  58          2HO*        C  58  21.522  -2.813   1.100
  624    H1*    C  58           H1*        C  58  20.007  -1.085   0.523
  625   1H4     C  58          1H4         C  58  13.805   0.304   0.423
  626   2H4     C  58          2H4         C  58  13.587  -0.617  -1.048
  627    H5     C  58           H5         C  58  15.353  -1.878  -2.088
  628    H6     C  58           H6         C  58  17.699  -2.567  -1.923
  629   1H5*    C  59          1H5*        C  59  21.067  -4.960   2.606
  630   2H5*    C  59          2H5*        C  59  20.917  -6.600   3.268
  631    H4*    C  59           H4*        C  59  20.062  -4.906   4.841
  632    H3*    C  59           H3*        C  59  18.072  -6.842   3.648
  633    H2*    C  59           H2*        C  59  16.321  -5.780   4.758
  634   2HO*    C  59          2HO*        C  59  17.106  -5.870   6.836
  635    H1*    C  59           H1*        C  59  17.428  -3.183   4.842
  636   1H4     C  59          1H4         C  59  12.621  -2.781   0.708
  637   2H4     C  59          2H4         C  59  13.461  -3.805  -0.436
  638    H5     C  59           H5         C  59  15.597  -4.826   0.028
  639    H6     C  59           H6         C  59  17.372  -5.106   1.698
  640   1H5*    G  60          1H5*        G  60  18.449  -7.001   8.449
  641   2H5*    G  60          2H5*        G  60  18.132  -8.715   8.787
  642    H4*    G  60           H4*        G  60  16.980  -7.235  10.387
  643    H3*    G  60           H3*        G  60  15.285  -8.917   8.539
  644    H2*    G  60           H2*        G  60  13.319  -7.974   9.416
  645   2HO*    G  60          2HO*        G  60  14.958  -7.466  11.634
  646    H1*    G  60           H1*        G  60  14.224  -5.391   9.765
  647    H8     G  60           H8         G  60  15.451  -6.798   6.466
  648    H1     G  60           H1         G  60   9.478  -4.513   6.184
  649   1H2     G  60          1H2         G  60   8.736  -4.069   8.230
  650   2H2     G  60          2H2         G  60   9.708  -4.333   9.661
  651   1H5*    G  61          1H5*        G  61  13.259  -8.800  11.774
  652   2H5*    G  61          2H5*        G  61  13.205 -10.355  12.627
  653    H4*    G  61           H4*        G  61  10.982  -9.580  12.672
  654    H3*    G  61           H3*        G  61  11.377 -11.592  10.459
  655    H2*    G  61           H2*        G  61   9.220 -11.240   9.660
  656   2HO*    G  61          2HO*        G  61   7.943  -9.825  11.491
  657    H1*    G  61           H1*        G  61   8.906  -8.554  10.436
  658    H8     G  61           H8         G  61  12.039  -9.412   8.402
  659    H1     G  61           H1         G  61   6.931  -7.935   4.849
  660   1H2     G  61          1H2         G  61   5.131  -7.754   6.142
  661   2H2     G  61          2H2         G  61   5.191  -7.997   7.873
  662   1H5*    G  62          1H5*        G  62   7.473 -12.025  12.155
  663   2H5*    G  62          2H5*        G  62   7.293 -13.725  12.634
  664    H4*    G  62           H4*        G  62   5.354 -12.948  11.338
  665    H3*    G  62           H3*        G  62   7.107 -15.078  10.122
  666    H2*    G  62           H2*        G  62   5.943 -15.011   8.113
  667   2HO*    G  62          2HO*        G  62   3.827 -14.508   9.813
  668    H1*    G  62           H1*        G  62   5.009 -12.338   8.243
  669    H8     G  62           H8         G  62   8.783 -13.045   8.506
  670    H1     G  62           H1         G  62   6.684 -11.980   2.554
  671   1H2     G  62          1H2         G  62   4.469 -11.862   2.533
  672   2H2     G  62          2H2         G  62   3.506 -12.044   3.984
  673   1H5*    G  63          1H5*        G  63   6.472 -18.745   8.845
  674   2H5*    G  63          2H5*        G  63   6.837 -17.013   8.972
  675    H4*    G  63           H4*        G  63   4.296 -17.674   7.597
  676    H3*    G  63           H3*        G  63   6.930 -18.673   6.539
  677    H2*    G  63           H2*        G  63   6.554 -17.743   4.419
  678   2HO*    G  63          2HO*        G  63   4.204 -18.561   4.632
  679    H1*    G  63           H1*        G  63   5.324 -15.408   5.168
  680    H8     G  63           H8         G  63   8.003 -15.657   7.696
  681    H1     G  63           H1         G  63  10.401 -14.379   1.903
  682   1H2     G  63          1H2         G  63   8.852 -14.666   0.362
  683   2H2     G  63          2H2         G  63   7.225 -15.181   0.746
  684   1H5*    A  64          1H5*        A  64   8.064 -22.276   6.171
  685   2H5*    A  64          2H5*        A  64   8.567 -20.728   5.465
  686    H4*    A  64           H4*        A  64   9.257 -23.044   4.367
  687    H3*    A  64           H3*        A  64   8.645 -20.412   3.111
  688    H2*    A  64           H2*        A  64   8.290 -21.251   0.962
  689   2HO*    A  64          2HO*        A  64   9.064 -23.813   1.104
  690    H1*    A  64           H1*        A  64   7.127 -23.656   1.514
  691    H8     A  64           H8         A  64   5.885 -20.951   3.906
  692   1H6     A  64          1H6         A  64   1.536 -19.754  -0.306
  693   2H6     A  64          2H6         A  64   2.095 -19.427   1.319
  694    H2     A  64           H2         A  64   4.459 -22.640  -2.128
  695   1H5*    A  65          1H5*        A  65  11.665 -18.813   0.056
  696   2H5*    A  65          2H5*        A  65  10.404 -17.689   0.599
  697    H4*    A  65           H4*        A  65  10.480 -19.457  -1.742
  698    H3*    A  65           H3*        A  65   9.068 -16.926  -0.945
  699    H2*    A  65           H2*        A  65   7.192 -17.396  -2.260
  700   2HO*    A  65          2HO*        A  65   7.531 -19.401  -3.758
  701    H1*    A  65           H1*        A  65   7.056 -20.117  -1.942
  702    H8     A  65           H8         A  65   7.762 -19.204   1.518
  703   1H6     A  65          1H6         A  65   1.983 -17.103   2.065
  704   2H6     A  65          2H6         A  65   3.430 -17.574   2.928
  705    H2     A  65           H2         A  65   2.849 -17.643  -2.314
  706   1H5*    A  66          1H5*        A  66   9.454 -14.703  -5.824
  707   2H5*    A  66          2H5*        A  66   9.062 -13.539  -4.543
  708    H4*    A  66           H4*        A  66   7.403 -14.414  -6.655
  709    H3*    A  66           H3*        A  66   7.103 -12.591  -4.304
  710    H2*    A  66           H2*        A  66   4.772 -12.821  -4.167
  711   2HO*    A  66          2HO*        A  66   4.536 -14.240  -6.580
  712    H1*    A  66           H1*        A  66   4.504 -15.455  -4.703
  713    H8     A  66           H8         A  66   7.743 -14.893  -2.783
  714   1H6     A  66          1H6         A  66   4.360 -15.294   2.369
  715   2H6     A  66          2H6         A  66   5.987 -15.219   1.723
  716    H2     A  66           H2         A  66   1.539 -15.165  -1.145
  717   1H5*    C  67          1H5*        C  67   4.535 -11.278  -5.945
  718   2H5*    C  67          2H5*        C  67   4.257  -9.544  -6.206
  719    H4*    C  67           H4*        C  67   2.658 -10.350  -4.585
  720    H3*    C  67           H3*        C  67   4.852  -8.620  -3.431
  721    H2*    C  67           H2*        C  67   3.941  -8.881  -1.278
  722   2HO*    C  67          2HO*        C  67   1.756 -10.031  -1.205
  723    H1*    C  67           H1*        C  67   3.152 -11.524  -1.515
  724   1H4     C  67          1H4         C  67   8.736 -11.807   1.525
  725   2H4     C  67          2H4         C  67   9.595 -11.418   0.050
  726    H5     C  67           H5         C  67   8.485 -10.887  -2.020
  727    H6     C  67           H6         C  67   6.317 -10.625  -3.130
  728   1H5*    U  68          1H5*        U  68   1.707  -7.670  -1.737
  729   2H5*    U  68          2H5*        U  68   1.098  -6.003  -1.769
  730    H4*    U  68           H4*        U  68   1.085  -6.696   0.512
  731    H3*    U  68           H3*        U  68   3.410  -4.867  -0.121
  732    H2*    U  68           H2*        U  68   4.174  -5.060   2.094
  733   2HO*    U  68          2HO*        U  68   2.434  -6.342   3.503
  734    H1*    U  68           H1*        U  68   3.428  -7.711   2.528
  735    H3     U  68           H3         U  68   7.927  -7.943   2.855
  736    H5     U  68           H5         U  68   7.242  -7.303  -1.252
  737    H6     U  68           H6         U  68   4.891  -6.989  -0.744
  738   1H5*    U  69          1H5*        U  69   1.610  -3.855   3.110
  739   2H5*    U  69          2H5*        U  69   1.049  -2.214   3.489
  740    H4*    U  69           H4*        U  69   2.312  -2.874   5.368
  741    H3*    U  69           H3*        U  69   4.020  -1.168   3.537
  742    H2*    U  69           H2*        U  69   5.798  -1.398   5.052
  743   2HO*    U  69          2HO*        U  69   3.762  -1.537   6.867
  744    H1*    U  69           H1*        U  69   5.243  -4.011   5.867
  745    H3     U  69           H3         U  69   9.259  -4.595   3.897
  746    H5     U  69           H5         U  69   6.758  -3.453   0.707
  747    H6     U  69           H6         U  69   4.986  -3.072   2.317
  748   1H5*    G  70          1H5*        G  70   4.438   0.371   7.303
  749   2H5*    G  70          2H5*        G  70   4.817   2.104   7.331
  750    H4*    G  70           H4*        G  70   6.648   0.681   8.231
  751    H3*    G  70           H3*        G  70   7.214   2.293   5.728
  752    H2*    G  70           H2*        G  70   9.386   1.440   5.710
  753   2HO*    G  70          2HO*        G  70   9.063   0.776   8.461
  754    H1*    G  70           H1*        G  70   8.799  -1.027   6.985
  755    H8     G  70           H8         G  70   6.929  -0.101   3.746
  756    H1     G  70           H1         G  70  12.471  -3.182   2.863
  757   1H2     G  70          1H2         G  70  13.529  -3.401   4.804
  758   2H2     G  70          2H2         G  70  12.869  -2.790   6.304
  759   1H5*    G  71          1H5*        G  71   9.899   4.050   9.216
  760   2H5*    G  71          2H5*        G  71   9.943   5.783   8.837
  761    H4*    G  71           H4*        G  71  12.195   4.957   9.261
  762    H3*    G  71           H3*        G  71  11.583   5.752   6.410
  763    H2*    G  71           H2*        G  71  13.750   5.126   5.745
  764   2HO*    G  71          2HO*        G  71  15.196   4.457   7.709
  765    H1*    G  71           H1*        G  71  14.017   2.882   7.311
  766    H8     G  71           H8         G  71  10.544   3.286   5.754
  767    H1     G  71           H1         G  71  14.810   0.474   1.894
  768   1H2     G  71          1H2         G  71  16.825   0.525   2.825
  769   2H2     G  71          2H2         G  71  17.126   1.276   4.377
  770   1H5*    U  72          1H5*        U  72  15.424   7.344   7.337
  771   2H5*    U  72          2H5*        U  72  15.282   9.111   7.255
  772    H4*    U  72           H4*        U  72  17.297   8.652   6.145
  773    H3*    U  72           H3*        U  72  15.080   8.956   4.107
  774    H2*    U  72           H2*        U  72  16.630   8.511   2.378
  775   2HO*    U  72          2HO*        U  72  18.414   9.500   4.222
  776    H1*    U  72           H1*        U  72  18.014   6.502   3.643
  777    H3     U  72           H3         U  72  15.672   4.243   0.484
  778    H5     U  72           H5         U  72  12.742   5.409   3.283
  779    H6     U  72           H6         U  72  14.452   6.685   4.439
  780   1H5*    U  73          1H5*        U  73  18.557  10.644   2.542
  781   2H5*    U  73          2H5*        U  73  18.194  12.281   1.956
  782    H4*    U  73           H4*        U  73  19.346  10.885   0.259
  783    H3*    U  73           H3*        U  73  16.517  11.784  -0.354
  784    H2*    U  73           H2*        U  73  16.691  10.737  -2.459
  785   2HO*    U  73          2HO*        U  73  19.462  10.281  -2.085
  786    H1*    U  73           H1*        U  73  18.116   8.516  -1.620
  787    H3     U  73           H3         U  73  14.073   6.881  -2.874
  788    H5     U  73           H5         U  73  13.333   8.757   0.828
  789    H6     U  73           H6         U  73  15.607   9.599   0.781
  790   1H5*    C  74          1H5*        C  74  18.884  12.315  -3.792
  791   2H5*    C  74          2H5*        C  74  18.425  13.823  -4.604
  792    H4*    C  74           H4*        C  74  18.262  11.875  -6.109
  793    H3*    C  74           H3*        C  74  15.613  13.179  -5.404
  794    H2*    C  74           H2*        C  74  14.615  11.702  -6.963
  795   2HO*    C  74          2HO*        C  74  17.003  10.663  -7.956
  796    H1*    C  74           H1*        C  74  16.310   9.530  -6.417
  797   1H4     C  74          1H4         C  74  10.837   8.019  -3.555
  798   2H4     C  74          2H4         C  74  11.101   9.240  -2.328
  799    H5     C  74           H5         C  74  12.988  10.736  -2.338
  800    H6     C  74           H6         C  74  14.985  11.444  -3.572
  801   1H5*    U  75          1H5*        U  75  16.327  13.847  -9.410
  802   2H5*    U  75          2H5*        U  75  15.491  15.159 -10.264
  803    H4*    U  75           H4*        U  75  14.687  12.894 -10.915
  804    H3*    U  75           H3*        U  75  12.699  14.713  -9.518
  805    H2*    U  75           H2*        U  75  11.065  13.047  -9.848
  806   2HO*    U  75          2HO*        U  75  12.250  11.188 -11.339
  807    H1*    U  75           H1*        U  75  12.802  10.859  -9.535
  808    H3     U  75           H3         U  75   9.887  10.248  -6.142
  809    H5     U  75           H5         U  75  12.140  13.597  -4.954
  810    H6     U  75           H6         U  75  13.185  13.589  -7.144
  811   1H5*    U  76          1H5*        U  76  10.846  13.624 -12.945
  812   2H5*    U  76          2H5*        U  76  10.085  14.966 -13.822
  813    H4*    U  76           H4*        U  76   8.450  13.214 -13.395
  814    H3*    U  76           H3*        U  76   8.043  15.760 -11.810
  815    H2*    U  76           H2*        U  76   6.199  14.806 -10.749
  816   2HO*    U  76          2HO*        U  76   4.770  13.834 -11.934
  817    H1*    U  76           H1*        U  76   7.028  12.089 -10.951
  818    H3     U  76           H3         U  76   6.231  12.423  -6.524
  819    H5     U  76           H5         U  76   9.577  14.912  -7.138
  820    H6     U  76           H6         U  76   9.327  14.552  -9.524
  821   1H5*    C  77          1H5*        C  77   3.668  17.758 -12.506
  822   2H5*    C  77          2H5*        C  77   4.872  17.121 -11.368
  823    H4*    C  77           H4*        C  77   2.590  15.356 -12.197
  824    H3*    C  77           H3*        C  77   2.309  17.805 -10.493
  825    H2*    C  77           H2*        C  77   1.421  16.669  -8.684
  826   2HO*    C  77          2HO*        C  77   0.675  14.456 -10.287
  827    H1*    C  77           H1*        C  77   2.479  14.098  -9.131
  828   1H4     C  77          1H4         C  77   5.328  16.467  -3.927
  829   2H4     C  77          2H4         C  77   6.643  17.006  -4.947
  830    H5     C  77           H5         C  77   6.577  16.902  -7.352
  831    H6     C  77           H6         C  77   5.249  16.236  -9.299
  832   1H5*    C  78          1H5*        C  78  -1.987  18.955  -9.394
  833   2H5*    C  78          2H5*        C  78  -0.637  19.333  -8.306
  834    H4*    C  78           H4*        C  78  -2.649  17.081  -8.086
  835    H3*    C  78           H3*        C  78  -2.059  19.559  -6.512
  836    H2*    C  78           H2*        C  78  -2.052  18.482  -4.464
  837   2HO*    C  78          2HO*        C  78  -4.143  17.224  -5.562
  838    H1*    C  78           H1*        C  78  -1.332  15.885  -5.256
  839   1H4     C  78          1H4         C  78   3.625  18.432  -2.108
  840   2H4     C  78          2H4         C  78   4.347  18.791  -3.660
  841    H5     C  78           H5         C  78   3.192  18.510  -5.748
  842    H6     C  78           H6         C  78   1.095  17.814  -6.809
  843   1H5*    U  79          1H5*        U  79  -3.767  22.674  -5.175
  844   2H5*    U  79          2H5*        U  79  -2.686  21.267  -5.212
  845    H4*    U  79           H4*        U  79  -5.057  20.934  -3.485
  846    H3*    U  79           H3*        U  79  -3.171  23.222  -3.014
  847    H2*    U  79           H2*        U  79  -2.712  22.587  -0.829
  848   2HO*    U  79          2HO*        U  79  -5.315  22.051  -0.830
  849    H1*    U  79           H1*        U  79  -3.071  19.818  -1.043
  850    H3     U  79           H3         U  79   1.194  20.834   0.419
  851    H5     U  79           H5         U  79   1.340  20.850  -3.794
  852    H6     U  79           H6         U  79  -1.083  20.710  -3.812
  853   1H5*    A  80          1H5*        A  80  -5.685  26.238  -0.015
  854   2H5*    A  80          2H5*        A  80  -4.078  26.909  -0.364
  855    H4*    A  80           H4*        A  80  -4.981  25.178   1.911
  856    H3*    A  80           H3*        A  80  -4.213  27.811   1.830
  857    H2*    A  80           H2*        A  80  -1.961  27.596   1.248
  858   2HO*    A  80          2HO*        A  80  -1.004  28.109   3.040
  859    H1*    A  80           H1*        A  80  -1.479  25.032   2.677
  860    H8     A  80           H8         A  80  -1.936  25.883  -1.094
  861   1H6     A  80          1H6         A  80   4.032  24.382  -1.613
  862   2H6     A  80          2H6         A  80   2.592  24.873  -2.477
  863    H2     A  80           H2         A  80   2.915  24.122   2.733
  864   1H5*    A  81          1H5*        A  81  -6.777  26.377   6.279
  865   2H5*    A  81          2H5*        A  81  -6.597  27.954   7.075
  866    H4*    A  81           H4*        A  81  -6.238  26.165   8.686
  867    H3*    A  81           H3*        A  81  -3.890  27.880   7.945
  868    H2*    A  81           H2*        A  81  -2.352  26.528   9.045
  869   2HO*    A  81          2HO*        A  81  -4.428  25.253  10.507
  870    H1*    A  81           H1*        A  81  -3.592  24.049   8.772
  871    H8     A  81           H8         A  81  -3.620  25.449   5.343
  872   1H6     A  81          1H6         A  81   2.346  23.928   4.856
  873   2H6     A  81          2H6         A  81   0.920  24.452   3.989
  874    H2     A  81           H2         A  81   1.167  23.536   9.175
  875   1H5*    G  82          1H5*        G  82  -1.724  29.572  12.070
  876   2H5*    G  82          2H5*        G  82  -1.259  29.814  10.373
  877    H4*    G  82           H4*        G  82  -0.363  27.673  12.303
  878    H3*    G  82           H3*        G  82   0.974  29.846  10.729
  879    H2*    G  82           H2*        G  82   2.741  28.489  10.041
  880   2HO*    G  82          2HO*        G  82   2.732  27.649  12.439
  881    H1*    G  82           H1*        G  82   1.441  26.072   9.791
  882    H8     G  82           H8         G  82  -0.936  28.401   8.186
  883    H1     G  82           H1         G  82   4.276  27.505   4.578
  884   1H2     G  82          1H2         G  82   5.863  26.510   5.770
  885   2H2     G  82          2H2         G  82   5.639  26.069   7.449
  886   1H5*    U  83          1H5*        U  83   4.279  28.691  13.208
  887   2H5*    U  83          2H5*        U  83   4.776  30.143  14.100
  888    H4*    U  83           H4*        U  83   6.682  29.141  12.938
  889    H3*    U  83           H3*        U  83   5.743  31.863  12.109
  890    H2*    U  83           H2*        U  83   7.090  31.935  10.206
  891   2HO*    U  83          2HO*        U  83   9.067  31.217  10.261
  892    H1*    U  83           H1*        U  83   7.075  29.276   9.479
  893    H3     U  83           H3         U  83   4.847  31.372   6.120
  894    H5     U  83           H5         U  83   2.052  31.144   9.269
  895    H6     U  83           H6         U  83   3.831  30.325  10.702
  896   1H5*    C  84          1H5*        C  84   9.288  32.197  11.744
  897   2H5*    C  84          2H5*        C  84  10.313  33.379  12.584
  898    H4*    C  84           H4*        C  84  10.672  33.827  10.305
  899    H3*    C  84           H3*        C  84   8.630  35.724  11.460
  900    H2*    C  84           H2*        C  84   8.166  36.619   9.368
  901   2HO*    C  84          2HO*        C  84  10.700  35.650   8.492
  902    H1*    C  84           H1*        C  84   8.838  34.368   7.786
  903   1H4     C  84          1H4         C  84   2.541  34.920   7.181
  904   2H4     C  84          2H4         C  84   2.300  34.460   8.852
  905    H5     C  84           H5         C  84   4.117  34.046  10.383
  906    H6     C  84           H6         C  84   6.554  34.009  10.646
  907   1H5*    C  85          1H5*        C  85  11.577  37.326   8.758
  908   2H5*    C  85          2H5*        C  85  12.446  38.676   9.513
  909    H4*    C  85           H4*        C  85  12.129  39.306   7.251
  910    H3*    C  85           H3*        C  85  10.131  40.649   9.076
  911    H2*    C  85           H2*        C  85   9.084  41.672   7.232
  912   2HO*    C  85          2HO*        C  85  11.574  41.247   6.023
  913    H1*    C  85           H1*        C  85   9.252  39.569   5.467
  914   1H4     C  85          1H4         C  85   3.445  38.961   8.000
  915   2H4     C  85          2H4         C  85   4.128  38.411   9.513
  916    H5     C  85           H5         C  85   6.494  38.297   9.929
  917    H6     C  85           H6         C  85   8.722  38.700   8.994
  918   1H5*    U  86          1H5*        U  86  11.030  43.026   6.062
  919   2H5*    U  86          2H5*        U  86  11.392  44.705   6.505
  920    H4*    U  86           H4*        U  86   9.565  44.459   4.808
  921    H3*    U  86           H3*        U  86   9.128  45.854   7.422
  922    H2*    U  86           H2*        U  86   6.857  45.716   7.291
  923   2HO*    U  86          2HO*        U  86   7.347  47.140   5.215
  924    H1*    U  86           H1*        U  86   6.793  44.026   4.867
  925    H3     U  86           H3         U  86   2.907  42.710   6.729
  926    H5     U  86           H5         U  86   5.814  41.611   9.581
  927    H6     U  86           H6         U  86   7.471  42.762   8.231
  928    H3T    U  86           H3T        U  86  10.139  47.046   5.899
  929   1HN1  NCO 101          1HN1      NCO 101 -11.011   9.501   6.484
  930   2HN1  NCO 101          2HN1      NCO 101 -11.348  10.954   7.157
  931   3HN1  NCO 101          3HN1      NCO 101 -12.416   9.723   7.295
  932   1HN2  NCO 101          1HN2      NCO 101 -10.135  10.799   4.834
  933   2HN2  NCO 101          2HN2      NCO 101 -10.739  12.273   4.452
  934   3HN2  NCO 101          3HN2      NCO 101 -10.788  11.057   3.356
  935   1HN3  NCO 101          1HN3      NCO 101 -13.854  12.741   5.811
  936   2HN3  NCO 101          2HN3      NCO 101 -12.392  13.205   5.237
  937   3HN3  NCO 101          3HN3      NCO 101 -12.512  12.537   6.727
  938   1HN4  NCO 101          1HN4      NCO 101 -14.224   9.460   6.409
  939   2HN4  NCO 101          2HN4      NCO 101 -14.930   9.842   4.982
  940   3HN4  NCO 101          3HN4      NCO 101 -14.802  10.971   6.160
  941   1HN5  NCO 101          1HN5      NCO 101 -11.448   8.886   3.840
  942   2HN5  NCO 101          2HN5      NCO 101 -13.061   8.746   3.599
  943   3HN5  NCO 101          3HN5      NCO 101 -12.401   8.263   5.016
  944   1HN6  NCO 101          1HN6      NCO 101 -14.353  11.741   3.548
  945   2HN6  NCO 101          2HN6      NCO 101 -13.577  10.556   2.727
  946   3HN6  NCO 101          3HN6      NCO 101 -12.875  12.026   2.906
  947   1HN1  NCO 102          1HN1      NCO 102  -7.142 -16.802  -3.209
  948   2HN1  NCO 102          2HN1      NCO 102  -6.647 -15.340  -2.666
  949   3HN1  NCO 102          3HN1      NCO 102  -7.588 -16.289  -1.719
  950   1HN2  NCO 102          1HN2      NCO 102  -9.761 -17.277  -4.539
  951   2HN2  NCO 102          2HN2      NCO 102 -10.785 -16.922  -3.311
  952   3HN2  NCO 102          3HN2      NCO 102  -9.330 -17.600  -2.992
  953   1HN3  NCO 102          1HN3      NCO 102  -7.239 -15.399  -5.157
  954   2HN3  NCO 102          2HN3      NCO 102  -8.573 -16.207  -5.652
  955   3HN3  NCO 102          3HN3      NCO 102  -8.502 -14.578  -5.798
  956   1HN4  NCO 102          1HN4      NCO 102  -8.331 -12.885  -4.119
  957   2HN4  NCO 102          2HN4      NCO 102  -7.211 -13.506  -3.100
  958   3HN4  NCO 102          3HN4      NCO 102  -8.613 -12.906  -2.506
  959   1HN5  NCO 102          1HN5      NCO 102  -9.454 -14.124  -1.224
  960   2HN5  NCO 102          2HN5      NCO 102 -10.768 -14.987  -1.682
  961   3HN5  NCO 102          3HN5      NCO 102  -9.460 -15.753  -1.061
  962   1HN6  NCO 102          1HN6      NCO 102 -10.380 -13.656  -4.870
  963   2HN6  NCO 102          2HN6      NCO 102 -11.162 -15.084  -4.697
  964   3HN6  NCO 102          3HN6      NCO 102 -11.202 -13.979  -3.491
  965   1HN1  NCO 103          1HN1      NCO 103  10.533  -7.125   3.023
  966   2HN1  NCO 103          2HN1      NCO 103  12.040  -6.494   3.126
  967   3HN1  NCO 103          3HN1      NCO 103  11.351  -6.735   1.660
  968   1HN2  NCO 103          1HN2      NCO 103  11.639  -8.304   4.876
  969   2HN2  NCO 103          2HN2      NCO 103  12.251  -9.822   4.851
  970   3HN2  NCO 103          3HN2      NCO 103  10.698  -9.559   4.408
  971   1HN3  NCO 103          1HN3      NCO 103  14.491  -7.949   2.376
  972   2HN3  NCO 103          2HN3      NCO 103  14.396  -8.893   3.710
  973   3HN3  NCO 103          3HN3      NCO 103  13.759  -7.384   3.727
  974   1HN4  NCO 103          1HN4      NCO 103  12.746  -9.487   0.177
  975   2HN4  NCO 103          2HN4      NCO 103  12.145  -7.966   0.243
  976   3HN4  NCO 103          3HN4      NCO 103  13.700  -8.250   0.668
  977   1HN5  NCO 103          1HN5      NCO 103  10.473 -10.602   1.954
  978   2HN5  NCO 103          2HN5      NCO 103  10.343  -9.325   0.940
  979   3HN5  NCO 103          3HN5      NCO 103   9.741  -9.229   2.460
  980   1HN6  NCO 103          1HN6      NCO 103  12.231 -11.403   2.512
  981   2HN6  NCO 103          2HN6      NCO 103  13.546 -10.856   3.321
  982   3HN6  NCO 103          3HN6      NCO 103  13.530 -10.844   1.683
  983   1HN1  NCO 104          1HN1      NCO 104   7.628  17.998  -1.083
  984   2HN1  NCO 104          2HN1      NCO 104   6.984  17.274  -2.403
  985   3HN1  NCO 104          3HN1      NCO 104   6.471  16.852  -0.905
  986   1HN2  NCO 104          1HN2      NCO 104   9.074  17.580   0.260
  987   2HN2  NCO 104          2HN2      NCO 104  10.424  17.340  -0.635
  988   3HN2  NCO 104          3HN2      NCO 104  10.071  16.327   0.601
  989   1HN3  NCO 104          1HN3      NCO 104   9.647  17.562  -2.744
  990   2HN3  NCO 104          2HN3      NCO 104   9.029  16.410  -3.732
  991   3HN3  NCO 104          3HN3      NCO 104  10.479  16.176  -3.009
  992   1HN4  NCO 104          1HN4      NCO 104   8.243  14.184  -3.248
  993   2HN4  NCO 104          2HN4      NCO 104   6.963  15.192  -3.087
  994   3HN4  NCO 104          3HN4      NCO 104   7.135  13.917  -2.073
  995   1HN5  NCO 104          1HN5      NCO 104   7.038  15.570   0.503
  996   2HN5  NCO 104          2HN5      NCO 104   7.284  14.081  -0.130
  997   3HN5  NCO 104          3HN5      NCO 104   8.389  14.730   0.888
  998   1HN6  NCO 104          1HN6      NCO 104  10.530  14.428  -0.379
  999   2HN6  NCO 104          2HN6      NCO 104   9.671  13.468  -1.391
 1000   3HN6  NCO 104          3HN6      NCO 104  10.746  14.544  -1.998
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   4.974 -48.667  -4.693
    2   2H5*    G   1          2H5*        G   1   5.773 -47.143  -5.130
    3    H4*    G   1           H4*        G   1   4.841 -48.044  -7.135
    4    H3*    G   1           H3*        G   1   3.442 -45.655  -6.010
    5    H2*    G   1           H2*        G   1   1.566 -45.850  -7.390
    6   2HO*    G   1          2HO*        G   1   2.771 -47.790  -9.051
    7    H1*    G   1           H1*        G   1   1.311 -48.563  -7.522
    8    H8     G   1           H8         G   1   2.220 -48.163  -3.975
    9    H1     G   1           H1         G   1  -3.682 -45.949  -5.111
   10   1H2     G   1          1H2         G   1  -4.016 -45.771  -7.296
   11   2H2     G   1          2H2         G   1  -2.792 -46.191  -8.473
   12    H5T    G   1           H5T        G   1   4.602 -46.705  -3.343
   13   1H5*    G   2          1H5*        G   2   2.909 -45.224  -9.490
   14   2H5*    G   2          2H5*        G   2   3.384 -43.803 -10.440
   15    H4*    G   2           H4*        G   2   1.007 -44.101 -10.668
   16    H3*    G   2           H3*        G   2   1.813 -41.780  -8.912
   17    H2*    G   2           H2*        G   2  -0.402 -41.358  -8.350
   18   2HO*    G   2          2HO*        G   2  -2.025 -42.545  -9.917
   19    H1*    G   2           H1*        G   2  -1.425 -43.984  -8.719
   20    H8     G   2           H8         G   2   1.356 -44.020  -6.201
   21    H1     G   2           H1         G   2  -4.196 -41.980  -3.750
   22   1H2     G   2          1H2         G   2  -5.644 -41.580  -5.385
   23   2H2     G   2          2H2         G   2  -5.246 -41.821  -7.071
   24   1H5*    G   3          1H5*        G   3  -1.018 -40.816 -11.583
   25   2H5*    G   3          2H5*        G   3  -0.782 -39.455 -12.699
   26    H4*    G   3           H4*        G   3  -3.000 -39.286 -11.806
   27    H3*    G   3           H3*        G   3  -1.044 -37.281 -10.699
   28    H2*    G   3           H2*        G   3  -2.572 -36.502  -9.131
   29   2HO*    G   3          2HO*        G   3  -4.920 -37.549  -9.931
   30    H1*    G   3           H1*        G   3  -4.097 -38.848  -8.789
   31    H8     G   3           H8         G   3  -0.304 -39.167  -8.333
   32    H1     G   3           H1         G   3  -3.487 -37.535  -3.024
   33   1H2     G   3          1H2         G   3  -5.612 -37.103  -3.521
   34   2H2     G   3          2H2         G   3  -6.236 -37.216  -5.150
   35   1H5*    A   4          1H5*        A   4  -4.611 -35.735 -11.242
   36   2H5*    A   4          2H5*        A   4  -4.791 -34.366 -12.358
   37    H4*    A   4           H4*        A   4  -6.090 -33.819 -10.448
   38    H3*    A   4           H3*        A   4  -3.442 -32.380 -10.500
   39    H2*    A   4           H2*        A   4  -3.798 -31.474  -8.380
   40   2HO*    A   4          2HO*        A   4  -5.994 -31.477  -7.472
   41    H1*    A   4           H1*        A   4  -5.311 -33.546  -7.266
   42    H8     A   4           H8         A   4  -1.971 -34.309  -9.067
   43   1H6     A   4          1H6         A   4   0.546 -34.153  -3.430
   44   2H6     A   4          2H6         A   4   0.834 -34.471  -5.125
   45    H2     A   4           H2         A   4  -3.775 -32.966  -3.047
   46   1H5*    U   5          1H5*        U   5  -6.493 -29.891  -9.020
   47   2H5*    U   5          2H5*        U   5  -6.348 -28.227  -9.624
   48    H4*    U   5           H4*        U   5  -6.397 -28.409  -7.125
   49    H3*    U   5           H3*        U   5  -4.095 -27.133  -8.572
   50    H2*    U   5           H2*        U   5  -2.792 -26.986  -6.661
   51   2HO*    U   5          2HO*        U   5  -3.618 -26.277  -4.858
   52    H1*    U   5           H1*        U   5  -3.872 -29.132  -5.184
   53    H3     U   5           H3         U   5   0.414 -30.469  -5.270
   54    H5     U   5           H5         U   5  -0.681 -30.464  -9.340
   55    H6     U   5           H6         U   5  -2.823 -29.522  -8.696
   56   1H5*    A   6          1H5*        A   6  -6.197 -26.603  -5.271
   57   2H5*    A   6          2H5*        A   6  -7.516 -25.434  -5.482
   58    H4*    A   6           H4*        A   6  -7.069 -26.509  -3.130
   59    H3*    A   6           H3*        A   6  -8.387 -24.182  -3.847
   60    H2*    A   6           H2*        A   6  -6.676 -22.633  -3.434
   61   2HO*    A   6          2HO*        A   6  -8.381 -22.770  -1.525
   62    H1*    A   6           H1*        A   6  -5.561 -24.170  -1.116
   63    H8     A   6           H8         A   6  -4.594 -22.724  -4.603
   64   1H6     A   6          1H6         A   6   0.517 -20.766  -1.735
   65   2H6     A   6          2H6         A   6  -0.346 -20.809  -3.254
   66    H2     A   6           H2         A   6  -1.994 -22.993   1.251
   67   1H5*    U   7          1H5*        U   7  -5.355 -24.957   0.976
   68   2H5*    U   7          2H5*        U   7  -6.802 -24.950   2.004
   69    H4*    U   7           H4*        U   7  -4.932 -23.166   2.384
   70    H3*    U   7           H3*        U   7  -7.678 -23.126   2.969
   71    H2*    U   7           H2*        U   7  -8.322 -21.674   1.238
   72   2HO*    U   7          2HO*        U   7  -8.667 -20.470   3.155
   73    H1*    U   7           H1*        U   7  -5.703 -20.196   1.434
   74    H3     U   7           H3         U   7  -9.086 -18.659  -1.797
   75    H5     U   7           H5         U   7  -5.680 -20.397  -3.574
   76    H6     U   7           H6         U   7  -5.058 -21.235  -1.393
   77   1H5*    G   8          1H5*        G   8  -4.711 -18.413   4.313
   78   2H5*    G   8          2H5*        G   8  -5.333 -17.749   2.789
   79    H4*    G   8           H4*        G   8  -2.571 -18.659   3.505
   80    H3*    G   8           H3*        G   8  -3.815 -16.305   2.108
   81    H2*    G   8           H2*        G   8  -2.092 -16.150   0.557
   82   2HO*    G   8          2HO*        G   8  -0.530 -17.452   2.537
   83    H1*    G   8           H1*        G   8  -1.308 -18.840   0.450
   84    H8     G   8           H8         G   8  -4.975 -18.829  -0.109
   85    H1     G   8           H1         G   8  -1.794 -16.770  -5.257
   86   1H2     G   8          1H2         G   8   0.320 -16.380  -4.745
   87   2H2     G   8          2H2         G   8   0.958 -16.628  -3.137
   88   1H5*    G   9          1H5*        G   9  -3.535 -12.446   2.253
   89   2H5*    G   9          2H5*        G   9  -3.598 -14.134   1.707
   90    H4*    G   9           H4*        G   9  -0.983 -12.762   1.389
   91    H3*    G   9           H3*        G   9  -3.455 -11.803  -0.037
   92    H2*    G   9           H2*        G   9  -2.379 -11.863  -2.129
   93   2HO*    G   9          2HO*        G   9   0.041 -12.370  -2.032
   94    H1*    G   9           H1*        G   9  -0.962 -14.175  -1.810
   95    H8     G   9           H8         G   9  -4.044 -15.229  -0.161
   96    H1     G   9           H1         G   9  -5.052 -14.364  -6.423
   97   1H2     G   9          1H2         G   9  -3.352 -13.244  -7.318
   98   2H2     G   9          2H2         G   9  -1.972 -12.719  -6.381
   99   1H5*    A  10          1H5*        A  10  -0.667  -8.757  -0.789
  100   2H5*    A  10          2H5*        A  10  -1.227  -7.088  -0.553
  101    H4*    A  10           H4*        A  10  -0.497  -7.535  -2.881
  102    H3*    A  10           H3*        A  10  -3.365  -6.778  -2.347
  103    H2*    A  10           H2*        A  10  -3.953  -7.105  -4.574
  104   2HO*    A  10          2HO*        A  10  -1.198  -6.901  -5.275
  105    H1*    A  10           H1*        A  10  -2.063  -9.084  -5.236
  106    H8     A  10           H8         A  10  -3.909 -10.246  -2.204
  107   1H6     A  10          1H6         A  10  -8.484 -12.021  -5.957
  108   2H6     A  10          2H6         A  10  -7.851 -12.097  -4.329
  109    H2     A  10           H2         A  10  -5.621  -9.521  -8.353
  110   1H5*    A  11          1H5*        A  11  -1.597  -3.826  -5.277
  111   2H5*    A  11          2H5*        A  11  -2.307  -2.223  -4.996
  112    H4*    A  11           H4*        A  11  -2.507  -3.028  -7.358
  113    H3*    A  11           H3*        A  11  -5.008  -2.436  -5.763
  114    H2*    A  11           H2*        A  11  -6.328  -3.021  -7.625
  115   2HO*    A  11          2HO*        A  11  -5.366  -1.932  -9.273
  116    H1*    A  11           H1*        A  11  -4.801  -5.151  -8.503
  117    H8     A  11           H8         A  11  -5.094  -5.240  -4.718
  118   1H6     A  11          1H6         A  11 -10.510  -8.102  -5.565
  119   2H6     A  11          2H6         A  11  -9.313  -7.616  -4.386
  120    H2     A  11           H2         A  11  -9.064  -6.655  -9.563
  121   1H5*    G  12          1H5*        G  12  -5.526   0.357  -9.014
  122   2H5*    G  12          2H5*        G  12  -6.081   1.907  -8.351
  123    H4*    G  12           H4*        G  12  -7.683   0.977  -9.976
  124    H3*    G  12           H3*        G  12  -8.594   1.169  -7.095
  125    H2*    G  12           H2*        G  12 -10.678   0.265  -7.702
  126   2HO*    G  12          2HO*        G  12 -10.535   0.138 -10.390
  127    H1*    G  12           H1*        G  12  -9.766  -1.494  -9.654
  128    H8     G  12           H8         G  12  -7.651  -1.685  -6.503
  129    H1     G  12           H1         G  12 -13.118  -4.993  -6.140
  130   1H2     G  12          1H2         G  12 -14.397  -4.533  -7.898
  131   2H2     G  12          2H2         G  12 -13.907  -3.411  -9.146
  132   1H5*    A  13          1H5*        A  13 -11.585   2.512  -9.251
  133   2H5*    A  13          2H5*        A  13 -12.011   4.214  -8.981
  134    H4*    A  13           H4*        A  13 -14.079   3.118  -8.923
  135    H3*    A  13           H3*        A  13 -13.048   3.480  -6.105
  136    H2*    A  13           H2*        A  13 -14.891   2.309  -5.252
  137   2HO*    A  13          2HO*        A  13 -16.644   1.815  -6.977
  138    H1*    A  13           H1*        A  13 -15.180   0.469  -7.318
  139    H8     A  13           H8         A  13 -11.635   1.110  -5.931
  140   1H6     A  13          1H6         A  13 -12.757  -3.664  -2.173
  141   2H6     A  13          2H6         A  13 -11.556  -2.515  -2.717
  142    H2     A  13           H2         A  13 -16.534  -2.764  -4.430
  143   1H5*    A  14          1H5*        A  14 -17.410   4.596  -6.443
  144   2H5*    A  14          2H5*        A  14 -17.559   6.130  -5.562
  145    H4*    A  14           H4*        A  14 -19.318   4.535  -4.913
  146    H3*    A  14           H3*        A  14 -17.286   5.344  -2.835
  147    H2*    A  14           H2*        A  14 -18.218   3.882  -1.262
  148   2HO*    A  14          2HO*        A  14 -20.517   4.369  -2.719
  149    H1*    A  14           H1*        A  14 -18.953   1.829  -2.976
  150    H8     A  14           H8         A  14 -15.455   3.394  -3.437
  151   1H6     A  14          1H6         A  14 -13.451  -1.091   0.302
  152   2H6     A  14          2H6         A  14 -12.980   0.243  -0.725
  153    H2     A  14           H2         A  14 -17.941  -1.322   0.147
  154   1H5*    C  15          1H5*        C  15 -21.371   5.739  -1.009
  155   2H5*    C  15          2H5*        C  15 -21.323   7.231  -0.048
  156    H4*    C  15           H4*        C  15 -22.122   5.318   1.280
  157    H3*    C  15           H3*        C  15 -19.463   6.531   2.064
  158    H2*    C  15           H2*        C  15 -19.243   4.955   3.786
  159   2HO*    C  15          2HO*        C  15 -20.901   4.313   4.924
  160    H1*    C  15           H1*        C  15 -20.522   2.814   2.515
  161   1H4     C  15          1H4         C  15 -14.353   1.355   2.089
  162   2H4     C  15          2H4         C  15 -14.067   2.699   1.007
  163    H5     C  15           H5         C  15 -15.775   4.272   0.374
  164    H6     C  15           H6         C  15 -18.122   4.915   0.664
  165   1H5*    C  16          1H5*        C  16 -21.312   6.224   5.401
  166   2H5*    C  16          2H5*        C  16 -21.221   7.562   6.563
  167    H4*    C  16           H4*        C  16 -20.209   5.648   7.587
  168    H3*    C  16           H3*        C  16 -18.192   7.689   6.633
  169    H2*    C  16           H2*        C  16 -16.440   6.303   7.302
  170   2HO*    C  16          2HO*        C  16 -16.877   5.908   9.391
  171    H1*    C  16           H1*        C  16 -17.762   3.823   6.967
  172   1H4     C  16          1H4         C  16 -13.412   3.862   2.350
  173   2H4     C  16          2H4         C  16 -14.180   5.228   1.569
  174    H5     C  16           H5         C  16 -16.111   6.353   2.477
  175    H6     C  16           H6         C  16 -17.708   6.422   4.336
  176   1H5*    G  17          1H5*        G  17 -18.160   6.847  11.409
  177   2H5*    G  17          2H5*        G  17 -17.683   8.435  12.041
  178    H4*    G  17           H4*        G  17 -16.510   6.630  13.213
  179    H3*    G  17           H3*        G  17 -14.856   8.486  11.504
  180    H2*    G  17           H2*        G  17 -12.910   7.255  11.941
  181   2HO*    G  17          2HO*        G  17 -13.869   5.500  13.823
  182    H1*    G  17           H1*        G  17 -14.016   4.723  11.970
  183    H8     G  17           H8         G  17 -15.396   6.837   9.128
  184    H1     G  17           H1         G  17  -9.791   4.057   7.781
  185   1H2     G  17          1H2         G  17  -8.936   3.139   9.619
  186   2H2     G  17          2H2         G  17  -9.741   3.218  11.170
  187   1H5*    G  18          1H5*        G  18 -12.569   7.634  14.758
  188   2H5*    G  18          2H5*        G  18 -12.015   9.121  15.555
  189    H4*    G  18           H4*        G  18 -10.145   7.588  15.073
  190    H3*    G  18           H3*        G  18 -10.200  10.233  13.611
  191    H2*    G  18           H2*        G  18  -8.298   9.645  12.409
  192   2HO*    G  18          2HO*        G  18  -7.583   7.527  14.114
  193    H1*    G  18           H1*        G  18  -8.640   6.825  12.488
  194    H8     G  18           H8         G  18 -11.571   8.693  10.960
  195    H1     G  18           H1         G  18  -6.799   7.582   6.836
  196   1H2     G  18          1H2         G  18  -5.021   6.819   7.923
  197   2H2     G  18          2H2         G  18  -5.009   6.583   9.657
  198   1H5*    G  19          1H5*        G  19  -6.351   9.308  14.452
  199   2H5*    G  19          2H5*        G  19  -5.723  10.457  15.650
  200    H4*    G  19           H4*        G  19  -3.975  10.283  14.105
  201    H3*    G  19           H3*        G  19  -5.671  12.690  13.419
  202    H2*    G  19           H2*        G  19  -4.380  13.091  11.511
  203   2HO*    G  19          2HO*        G  19  -2.280  12.754  11.460
  204    H1*    G  19           H1*        G  19  -3.734  10.427  10.907
  205    H8     G  19           H8         G  19  -7.403  11.459  11.569
  206    H1     G  19           H1         G  19  -5.634  11.542   5.417
  207   1H2     G  19          1H2         G  19  -3.458  11.137   5.247
  208   2H2     G  19          2H2         G  19  -2.445  10.846   6.644
  209   1H5*    G  20          1H5*        G  20  -4.410  16.853  13.882
  210   2H5*    G  20          2H5*        G  20  -5.821  16.531  12.854
  211    H4*    G  20           H4*        G  20  -2.934  16.738  12.142
  212    H3*    G  20           H3*        G  20  -5.553  17.637  10.989
  213    H2*    G  20           H2*        G  20  -4.867  17.299   8.770
  214   2HO*    G  20          2HO*        G  20  -2.917  17.938   8.315
  215    H1*    G  20           H1*        G  20  -3.508  14.968   9.058
  216    H8     G  20           H8         G  20  -6.184  14.356  11.496
  217    H1     G  20           H1         G  20  -8.540  14.446   5.546
  218   1H2     G  20          1H2         G  20  -7.035  15.242   4.144
  219   2H2     G  20          2H2         G  20  -5.449  15.765   4.664
  220   1H5*    A  21          1H5*        A  21  -6.527  21.930  11.321
  221   2H5*    A  21          2H5*        A  21  -7.518  20.612  10.661
  222    H4*    A  21           H4*        A  21  -7.730  22.789   9.428
  223    H3*    A  21           H3*        A  21  -6.941  20.232   8.091
  224    H2*    A  21           H2*        A  21  -6.295  21.252   6.092
  225   2HO*    A  21          2HO*        A  21  -7.478  22.784   5.284
  226    H1*    A  21           H1*        A  21  -5.267  23.616   7.033
  227    H8     A  21           H8         A  21  -4.203  20.720   9.252
  228   1H6     A  21          1H6         A  21   0.563  19.976   5.411
  229   2H6     A  21          2H6         A  21  -0.145  19.497   6.937
  230    H2     A  21           H2         A  21  -2.241  22.967   3.565
  231   1H5*    A  22          1H5*        A  22  -9.452  18.375   4.523
  232   2H5*    A  22          2H5*        A  22  -8.145  18.395   5.725
  233    H4*    A  22           H4*        A  22  -8.295  20.350   3.414
  234    H3*    A  22           H3*        A  22  -7.157  17.569   3.479
  235    H2*    A  22           H2*        A  22  -5.110  18.240   2.616
  236   2HO*    A  22          2HO*        A  22  -4.924  19.736   1.091
  237    H1*    A  22           H1*        A  22  -5.049  20.890   3.548
  238    H8     A  22           H8         A  22  -5.485  19.322   6.725
  239   1H6     A  22          1H6         A  22   0.211  16.962   6.428
  240   2H6     A  22          2H6         A  22  -1.142  17.327   7.475
  241    H2     A  22           H2         A  22  -0.946  18.308   2.295
  242   1H5*    A  23          1H5*        A  23  -7.467  17.064  -1.768
  243   2H5*    A  23          2H5*        A  23  -7.330  15.436  -1.075
  244    H4*    A  23           H4*        A  23  -5.474  16.653  -2.718
  245    H3*    A  23           H3*        A  23  -5.422  14.273  -0.913
  246    H2*    A  23           H2*        A  23  -3.089  14.225  -0.701
  247   2HO*    A  23          2HO*        A  23  -2.052  14.468  -2.516
  248    H1*    A  23           H1*        A  23  -2.549  16.872  -0.562
  249    H8     A  23           H8         A  23  -5.876  16.062   1.138
  250   1H6     A  23          1H6         A  23  -2.579  15.130   6.279
  251   2H6     A  23          2H6         A  23  -4.195  15.282   5.618
  252    H2     A  23           H2         A  23   0.302  15.672   2.855
  253   1H5*    C  24          1H5*        C  24  -3.397  12.535  -3.259
  254   2H5*    C  24          2H5*        C  24  -3.795  10.872  -3.732
  255    H4*    C  24           H4*        C  24  -1.974  11.016  -2.034
  256    H3*    C  24           H3*        C  24  -4.540   9.582  -1.324
  257    H2*    C  24           H2*        C  24  -3.700   9.121   0.819
  258   2HO*    C  24          2HO*        C  24  -1.138   9.694  -0.286
  259    H1*    C  24           H1*        C  24  -2.276  11.483   1.190
  260   1H4     C  24          1H4         C  24  -7.676  12.196   4.501
  261   2H4     C  24          2H4         C  24  -8.558  12.526   3.026
  262    H5     C  24           H5         C  24  -7.557  12.413   0.837
  263    H6     C  24           H6         C  24  -5.508  11.936  -0.415
  264   1H5*    U  25          1H5*        U  25  -1.674   7.637   0.011
  265   2H5*    U  25          2H5*        U  25  -1.468   5.902  -0.298
  266    H4*    U  25           H4*        U  25  -1.378   6.279   2.084
  267    H3*    U  25           H3*        U  25  -3.919   4.952   1.126
  268    H2*    U  25           H2*        U  25  -4.767   4.956   3.302
  269   2HO*    U  25          2HO*        U  25  -2.173   5.435   4.358
  270    H1*    U  25           H1*        U  25  -3.442   7.272   4.232
  271    H3     U  25           H3         U  25  -7.781   8.319   4.958
  272    H5     U  25           H5         U  25  -7.402   8.386   0.761
  273    H6     U  25           H6         U  25  -5.155   7.513   1.015
  274   1H5*    U  26          1H5*        U  26  -2.435   3.403   4.288
  275   2H5*    U  26          2H5*        U  26  -1.798   1.747   4.330
  276    H4*    U  26           H4*        U  26  -2.895   1.831   6.358
  277    H3*    U  26           H3*        U  26  -4.897   0.857   4.316
  278    H2*    U  26           H2*        U  26  -6.602   0.905   5.913
  279   2HO*    U  26          2HO*        U  26  -5.143   1.397   8.183
  280    H1*    U  26           H1*        U  26  -5.737   3.114   7.375
  281    H3     U  26           H3         U  26  -9.562   4.848   5.762
  282    H5     U  26           H5         U  26  -7.341   4.024   2.281
  283    H6     U  26           H6         U  26  -5.640   3.011   3.684
  284   1H5*    G  27          1H5*        G  27  -5.307  -1.313   7.699
  285   2H5*    G  27          2H5*        G  27  -5.866  -2.987   7.500
  286    H4*    G  27           H4*        G  27  -7.457  -1.565   8.775
  287    H3*    G  27           H3*        G  27  -8.352  -2.746   6.138
  288    H2*    G  27           H2*        G  27 -10.398  -1.659   6.333
  289   2HO*    G  27          2HO*        G  27 -10.504  -2.612   8.614
  290    H1*    G  27           H1*        G  27  -9.520   0.496   7.977
  291    H8     G  27           H8         G  27  -7.960  -0.017   4.489
  292    H1     G  27           H1         G  27 -13.093   3.808   4.646
  293   1H2     G  27          1H2         G  27 -14.007   3.757   6.672
  294   2H2     G  27          2H2         G  27 -13.349   2.788   7.972
  295   1H5*    G  28          1H5*        G  28 -11.166  -4.307   9.580
  296   2H5*    G  28          2H5*        G  28 -11.044  -6.057   9.309
  297    H4*    G  28           H4*        G  28 -13.320  -5.777   9.674
  298    H3*    G  28           H3*        G  28 -12.759  -5.754   6.722
  299    H2*    G  28           H2*        G  28 -14.946  -5.093   6.190
  300   2HO*    G  28          2HO*        G  28 -15.545  -6.184   8.715
  301    H1*    G  28           H1*        G  28 -15.419  -3.356   8.246
  302    H8     G  28           H8         G  28 -11.847  -3.192   6.868
  303    H1     G  28           H1         G  28 -16.028   0.507   3.731
  304   1H2     G  28          1H2         G  28 -18.087   0.124   4.477
  305   2H2     G  28          2H2         G  28 -18.431  -1.057   5.722
  306   1H5*    U  29          1H5*        U  29 -16.508  -7.671   7.006
  307   2H5*    U  29          2H5*        U  29 -16.403  -9.214   6.135
  308    H4*    U  29           H4*        U  29 -18.308  -7.875   5.352
  309    H3*    U  29           H3*        U  29 -16.047  -8.313   3.392
  310    H2*    U  29           H2*        U  29 -17.139  -6.998   1.802
  311   2HO*    U  29          2HO*        U  29 -19.566  -7.244   3.270
  312    H1*    U  29           H1*        U  29 -18.467  -5.254   3.574
  313    H3     U  29           H3         U  29 -15.991  -2.444   1.028
  314    H5     U  29           H5         U  29 -13.139  -4.482   3.370
  315    H6     U  29           H6         U  29 -14.926  -5.908   4.184
  316   1H5*    U  30          1H5*        U  30 -19.965  -8.969   1.675
  317   2H5*    U  30          2H5*        U  30 -19.973 -10.466   0.723
  318    H4*    U  30           H4*        U  30 -21.005  -8.651  -0.539
  319    H3*    U  30           H3*        U  30 -18.330  -9.611  -1.579
  320    H2*    U  30           H2*        U  30 -18.458  -8.043  -3.326
  321   2HO*    U  30          2HO*        U  30 -21.205  -7.629  -2.695
  322    H1*    U  30           H1*        U  30 -19.679  -5.996  -1.898
  323    H3     U  30           H3         U  30 -15.651  -4.178  -2.804
  324    H5     U  30           H5         U  30 -14.766  -7.240  -0.044
  325    H6     U  30           H6         U  30 -17.089  -7.932  -0.169
  326   1H5*    C  31          1H5*        C  31 -20.703  -9.330  -5.020
  327   2H5*    C  31          2H5*        C  31 -20.275 -10.658  -6.115
  328    H4*    C  31           H4*        C  31 -19.877  -8.375  -7.066
  329    H3*    C  31           H3*        C  31 -17.531 -10.261  -6.739
  330    H2*    C  31           H2*        C  31 -16.119  -8.625  -7.607
  331   2HO*    C  31          2HO*        C  31 -17.694  -6.754  -8.637
  332    H1*    C  31           H1*        C  31 -17.633  -6.367  -6.773
  333   1H4     C  31          1H4         C  31 -12.264  -6.070  -3.393
  334   2H4     C  31          2H4         C  31 -12.742  -7.461  -2.445
  335    H5     C  31           H5         C  31 -14.756  -8.718  -2.868
  336    H6     C  31           H6         C  31 -16.728  -8.930  -4.310
  337   1H5*    U  32          1H5*        U  32 -17.566  -9.060 -11.126
  338   2H5*    U  32          2H5*        U  32 -17.377 -10.615 -11.962
  339    H4*    U  32           H4*        U  32 -15.776  -9.019 -12.847
  340    H3*    U  32           H3*        U  32 -14.651 -11.276 -11.199
  341    H2*    U  32           H2*        U  32 -12.493 -10.395 -11.306
  342   2HO*    U  32          2HO*        U  32 -13.207  -8.579 -13.358
  343    H1*    U  32           H1*        U  32 -13.120  -7.687 -11.317
  344    H3     U  32           H3         U  32 -10.904  -8.041  -7.414
  345    H5     U  32           H5         U  32 -14.443 -10.215  -6.734
  346    H6     U  32           H6         U  32 -15.012  -9.887  -9.071
  347   1H5*    U  33          1H5*        U  33 -12.310 -10.370 -14.993
  348   2H5*    U  33          2H5*        U  33 -11.741 -11.932 -15.615
  349    H4*    U  33           H4*        U  33  -9.958 -10.163 -15.400
  350    H3*    U  33           H3*        U  33  -9.715 -12.817 -13.986
  351    H2*    U  33           H2*        U  33  -7.762 -12.142 -12.909
  352   2HO*    U  33          2HO*        U  33  -7.190 -11.149 -15.243
  353    H1*    U  33           H1*        U  33  -8.284  -9.379 -12.765
  354    H3     U  33           H3         U  33  -7.798 -10.353  -8.389
  355    H5     U  33           H5         U  33 -11.293 -12.436  -9.490
  356    H6     U  33           H6         U  33 -10.883 -11.780 -11.789
  357   1H5*    C  34          1H5*        C  34  -5.215 -14.853 -15.169
  358   2H5*    C  34          2H5*        C  34  -6.371 -14.471 -13.877
  359    H4*    C  34           H4*        C  34  -4.153 -12.549 -14.572
  360    H3*    C  34           H3*        C  34  -3.873 -15.119 -13.042
  361    H2*    C  34           H2*        C  34  -2.875 -14.091 -11.212
  362   2HO*    C  34          2HO*        C  34  -1.216 -13.082 -12.368
  363    H1*    C  34           H1*        C  34  -4.066 -11.568 -11.365
  364   1H4     C  34          1H4         C  34  -6.786 -14.742  -6.514
  365   2H4     C  34          2H4         C  34  -8.087 -15.185  -7.596
  366    H5     C  34           H5         C  34  -8.054 -14.723  -9.959
  367    H6     C  34           H6         C  34  -6.764 -13.751 -11.798
  368   1H5*    C  35          1H5*        C  35   0.807 -13.329 -12.742
  369   2H5*    C  35          2H5*        C  35   1.354 -14.898 -13.365
  370    H4*    C  35           H4*        C  35   2.382 -14.108 -11.160
  371    H3*    C  35           H3*        C  35   1.130 -16.814 -11.564
  372    H2*    C  35           H2*        C  35   1.276 -17.346  -9.306
  373   2HO*    C  35          2HO*        C  35   2.942 -16.778  -8.083
  374    H1*    C  35           H1*        C  35   1.105 -14.764  -8.212
  375   1H4     C  35          1H4         C  35  -4.516 -17.424  -6.873
  376   2H4     C  35          2H4         C  35  -5.018 -17.255  -8.539
  377    H5     C  35           H5         C  35  -3.573 -16.431 -10.275
  378    H6     C  35           H6         C  35  -1.329 -15.599 -10.799
  379   1H5*    U  36          1H5*        U  36   3.881 -20.542 -10.315
  380   2H5*    U  36          2H5*        U  36   2.462 -19.476 -10.351
  381    H4*    U  36           H4*        U  36   4.389 -18.559  -8.382
  382    H3*    U  36           H3*        U  36   3.647 -21.475  -8.282
  383    H2*    U  36           H2*        U  36   2.951 -21.338  -6.072
  384   2HO*    U  36          2HO*        U  36   3.878 -20.007  -4.602
  385    H1*    U  36           H1*        U  36   2.199 -18.617  -6.004
  386    H3     U  36           H3         U  36  -1.163 -21.558  -4.649
  387    H5     U  36           H5         U  36  -1.697 -20.803  -8.762
  388    H6     U  36           H6         U  36   0.489 -19.747  -8.783
  389   1H5*    A  37          1H5*        A  37   6.078 -21.782  -4.618
  390   2H5*    A  37          2H5*        A  37   7.277 -22.948  -5.213
  391    H4*    A  37           H4*        A  37   6.006 -23.622  -3.118
  392    H3*    A  37           H3*        A  37   6.914 -25.263  -5.145
  393    H2*    A  37           H2*        A  37   4.917 -25.603  -6.315
  394   2HO*    A  37          2HO*        A  37   4.293 -27.569  -5.815
  395    H1*    A  37           H1*        A  37   3.171 -25.510  -3.890
  396    H8     A  37           H8         A  37   3.854 -23.990  -7.402
  397   1H6     A  37          1H6         A  37  -2.295 -23.620  -7.861
  398   2H6     A  37          2H6         A  37  -0.774 -23.380  -8.691
  399    H2     A  37           H2         A  37  -1.303 -25.112  -3.739
  400   1H5*    A  38          1H5*        A  38   8.800 -26.925  -0.913
  401   2H5*    A  38          2H5*        A  38   8.772 -28.699  -0.850
  402    H4*    A  38           H4*        A  38   8.281 -27.686   1.347
  403    H3*    A  38           H3*        A  38   6.233 -29.387  -0.026
  404    H2*    A  38           H2*        A  38   4.518 -28.811   1.426
  405   2HO*    A  38          2HO*        A  38   5.829 -27.613   3.474
  406    H1*    A  38           H1*        A  38   5.332 -26.251   2.191
  407    H8     A  38           H8         A  38   5.440 -26.041  -1.470
  408   1H6     A  38          1H6         A  38  -0.725 -25.692  -1.521
  409   2H6     A  38          2H6         A  38   0.735 -25.486  -2.462
  410    H2     A  38           H2         A  38   0.550 -26.993   2.588
  411   1H5*    G  39          1H5*        G  39   5.919 -32.199   3.685
  412   2H5*    G  39          2H5*        G  39   4.786 -33.248   2.808
  413    H4*    G  39           H4*        G  39   4.128 -31.203   4.586
  414    H3*    G  39           H3*        G  39   2.612 -32.919   2.669
  415    H2*    G  39           H2*        G  39   0.831 -31.441   2.405
  416   2HO*    G  39          2HO*        G  39   0.937 -29.537   4.110
  417    H1*    G  39           H1*        G  39   2.109 -29.026   2.587
  418    H8     G  39           H8         G  39   4.453 -30.982   0.489
  419    H1     G  39           H1         G  39  -0.858 -29.427  -2.729
  420   1H2     G  39          1H2         G  39  -2.405 -28.674  -1.327
  421   2H2     G  39          2H2         G  39  -2.131 -28.554   0.396
  422   1H5*    U  40          1H5*        U  40  -0.396 -32.108   5.663
  423   2H5*    U  40          2H5*        U  40  -1.022 -33.671   6.224
  424    H4*    U  40           H4*        U  40  -2.825 -32.144   5.493
  425    H3*    U  40           H3*        U  40  -2.393 -34.756   4.082
  426    H2*    U  40           H2*        U  40  -3.911 -34.256   2.375
  427   2HO*    U  40          2HO*        U  40  -5.208 -32.109   2.906
  428    H1*    U  40           H1*        U  40  -3.479 -31.552   2.122
  429    H3     U  40           H3         U  40  -1.914 -33.389  -1.740
  430    H5     U  40           H5         U  40   1.137 -34.069   1.089
  431    H6     U  40           H6         U  40  -0.365 -33.246   2.809
  432   1H5*    C  41          1H5*        C  41  -6.102 -34.260   4.222
  433   2H5*    C  41          2H5*        C  41  -7.242 -35.435   4.910
  434    H4*    C  41           H4*        C  41  -7.969 -35.011   2.681
  435    H3*    C  41           H3*        C  41  -6.548 -37.650   3.002
  436    H2*    C  41           H2*        C  41  -6.583 -38.050   0.712
  437   2HO*    C  41          2HO*        C  41  -8.367 -36.092  -0.060
  438    H1*    C  41           H1*        C  41  -6.518 -35.398  -0.206
  439   1H4     C  41          1H4         C  41  -0.718 -37.642  -1.502
  440   2H4     C  41          2H4         C  41  -0.311 -37.675   0.199
  441    H5     C  41           H5         C  41  -1.879 -37.125   1.942
  442    H6     C  41           H6         C  41  -4.178 -36.428   2.433
  443   1H5*    C  42          1H5*        C  42  -9.787 -37.638   0.664
  444   2H5*    C  42          2H5*        C  42 -11.130 -38.757   0.970
  445    H4*    C  42           H4*        C  42 -10.792 -38.748  -1.385
  446    H3*    C  42           H3*        C  42  -9.620 -41.203  -0.067
  447    H2*    C  42           H2*        C  42  -8.803 -41.957  -2.135
  448   2HO*    C  42          2HO*        C  42  -9.585 -40.562  -4.072
  449    H1*    C  42           H1*        C  42  -8.107 -39.500  -3.205
  450   1H4     C  42          1H4         C  42  -2.602 -41.783  -0.988
  451   2H4     C  42          2H4         C  42  -3.117 -41.513   0.661
  452    H5     C  42           H5         C  42  -5.310 -40.717   1.245
  453    H6     C  42           H6         C  42  -7.489 -40.008   0.379
  454   1H5*    U  43          1H5*        U  43 -11.172 -42.052  -3.628
  455   2H5*    U  43          2H5*        U  43 -12.161 -43.522  -3.717
  456    H4*    U  43           H4*        U  43 -10.316 -43.491  -5.380
  457    H3*    U  43           H3*        U  43 -10.354 -45.627  -3.259
  458    H2*    U  43           H2*        U  43  -8.258 -46.361  -3.829
  459   2HO*    U  43          2HO*        U  43  -9.204 -46.764  -6.040
  460    H1*    U  43           H1*        U  43  -7.468 -44.016  -5.358
  461    H3     U  43           H3         U  43  -3.588 -44.814  -3.235
  462    H5     U  43           H5         U  43  -6.299 -44.075  -0.088
  463    H6     U  43           H6         U  43  -8.079 -43.985  -1.737
  464    H3T    U  43           H3T        U  43 -10.728 -45.560  -6.084
  465   1H5*    G  44          1H5*        G  44  -7.821  45.916   3.282
  466   2H5*    G  44          2H5*        G  44  -8.296  44.224   3.030
  467    H4*    G  44           H4*        G  44  -7.917  45.140   0.868
  468    H3*    G  44           H3*        G  44  -5.807  43.275   1.852
  469    H2*    G  44           H2*        G  44  -4.231  43.836   0.224
  470   2HO*    G  44          2HO*        G  44  -6.512  44.511  -1.249
  471    H1*    G  44           H1*        G  44  -4.684  46.507  -0.041
  472    H8     G  44           H8         G  44  -5.099  45.912   3.622
  473    H1     G  44           H1         G  44   1.051  45.737   1.842
  474   1H2     G  44          1H2         G  44   1.199  45.687  -0.373
  475   2H2     G  44          2H2         G  44  -0.210  45.691  -1.410
  476    H5T    G  44           H5T        G  44  -6.531  43.574   3.969
  477   1H5*    G  45          1H5*        G  45  -5.258  42.859  -1.799
  478   2H5*    G  45          2H5*        G  45  -5.567  41.239  -2.453
  479    H4*    G  45           H4*        G  45  -3.338  41.969  -3.090
  480    H3*    G  45           H3*        G  45  -3.476  39.730  -1.071
  481    H2*    G  45           H2*        G  45  -1.169  39.748  -0.794
  482   2HO*    G  45          2HO*        G  45   0.229  40.172  -2.414
  483    H1*    G  45           H1*        G  45  -0.687  42.457  -1.495
  484    H8     G  45           H8         G  45  -3.132  42.141   1.364
  485    H1     G  45           H1         G  45   2.994  41.713   3.191
  486   1H2     G  45          1H2         G  45   4.299  41.492   1.413
  487   2H2     G  45          2H2         G  45   3.668  41.463  -0.218
  488   1H5*    G  46          1H5*        G  46  -0.876  39.091  -4.385
  489   2H5*    G  46          2H5*        G  46  -0.870  37.458  -5.084
  490    H4*    G  46           H4*        G  46   1.413  38.327  -4.659
  491    H3*    G  46           H3*        G  46   0.465  35.867  -3.198
  492    H2*    G  46           H2*        G  46   2.421  35.766  -1.932
  493   2HO*    G  46          2HO*        G  46   4.355  36.781  -2.604
  494    H1*    G  46           H1*        G  46   2.977  38.503  -1.773
  495    H8     G  46           H8         G  46  -0.626  37.623  -0.886
  496    H1     G  46           H1         G  46   3.475  37.030   3.994
  497   1H2     G  46          1H2         G  46   5.563  37.252   3.257
  498   2H2     G  46          2H2         G  46   5.939  37.541   1.574
  499   1H5*    A  47          1H5*        A  47   4.031  35.255  -4.586
  500   2H5*    A  47          2H5*        A  47   4.444  33.914  -5.673
  501    H4*    A  47           H4*        A  47   6.066  33.878  -3.938
  502    H3*    A  47           H3*        A  47   3.956  31.756  -3.638
  503    H2*    A  47           H2*        A  47   4.704  31.144  -1.527
  504   2HO*    A  47          2HO*        A  47   6.846  31.391  -0.876
  505    H1*    A  47           H1*        A  47   5.835  33.597  -0.713
  506    H8     A  47           H8         A  47   2.178  33.579  -1.904
  507   1H6     A  47          1H6         A  47   0.709  32.858   4.050
  508   2H6     A  47          2H6         A  47   0.088  33.133   2.439
  509    H2     A  47           H2         A  47   5.179  32.555   3.685
  510   1H5*    U  48          1H5*        U  48   7.519  29.722  -2.637
  511   2H5*    U  48          2H5*        U  48   7.409  28.043  -3.202
  512    H4*    U  48           H4*        U  48   7.586  28.351  -0.691
  513    H3*    U  48           H3*        U  48   5.344  26.798  -1.976
  514    H2*    U  48           H2*        U  48   4.234  26.555   0.046
  515   2HO*    U  48          2HO*        U  48   6.657  26.023   0.901
  516    H1*    U  48           H1*        U  48   5.262  28.842   1.381
  517    H3     U  48           H3         U  48   0.831  29.498   1.883
  518    H5     U  48           H5         U  48   1.428  29.860  -2.274
  519    H6     U  48           H6         U  48   3.737  29.196  -1.934
  520   1H5*    A  49          1H5*        A  49   8.747  22.958  -0.948
  521   2H5*    A  49          2H5*        A  49   7.585  21.616  -0.951
  522    H4*    A  49           H4*        A  49   8.838  23.060   1.322
  523    H3*    A  49           H3*        A  49   8.763  20.398   0.522
  524    H2*    A  49           H2*        A  49   6.591  19.845   1.168
  525   2HO*    A  49          2HO*        A  49   6.817  18.725   2.942
  526    H1*    A  49           H1*        A  49   6.506  21.744   3.474
  527    H8     A  49           H8         A  49   4.752  21.688   0.001
  528   1H6     A  49          1H6         A  49  -0.449  20.893   3.250
  529   2H6     A  49          2H6         A  49   0.222  21.096   1.648
  530    H2     A  49           H2         A  49   2.992  20.940   6.133
  531   1H5*    U  50          1H5*        U  50  11.174  20.132   5.251
  532   2H5*    U  50          2H5*        U  50  11.370  18.368   5.194
  533    H4*    U  50           H4*        U  50  10.351  18.470   7.220
  534    H3*    U  50           H3*        U  50   8.455  17.782   5.328
  535    H2*    U  50           H2*        U  50   7.413  19.885   5.118
  536   2HO*    U  50          2HO*        U  50   6.223  18.272   6.951
  537    H1*    U  50           H1*        U  50   7.745  20.485   8.046
  538    H3     U  50           H3         U  50   9.324  24.889   6.593
  539    H5     U  50           H5         U  50   5.607  23.807   4.926
  540    H6     U  50           H6         U  50   5.999  21.535   5.688
  541   1H5*    G  51          1H5*        G  51   4.787  18.158   8.299
  542   2H5*    G  51          2H5*        G  51   4.857  16.419   8.645
  543    H4*    G  51           H4*        G  51   2.581  16.986   8.106
  544    H3*    G  51           H3*        G  51   4.060  15.398   6.030
  545    H2*    G  51           H2*        G  51   2.367  15.619   4.449
  546   2HO*    G  51          2HO*        G  51   0.448  15.160   5.153
  547    H1*    G  51           H1*        G  51   1.378  18.122   5.143
  548    H8     G  51           H8         G  51   5.061  18.529   4.992
  549    H1     G  51           H1         G  51   2.492  18.044  -0.844
  550   1H2     G  51          1H2         G  51   0.386  17.382  -0.696
  551   2H2     G  51          2H2         G  51  -0.392  17.057   0.836
  552   1H5*    G  52          1H5*        G  52   3.507  11.845   4.441
  553   2H5*    G  52          2H5*        G  52   3.437  13.618   4.383
  554    H4*    G  52           H4*        G  52   0.890  12.268   3.738
  555    H3*    G  52           H3*        G  52   3.357  11.634   2.157
  556    H2*    G  52           H2*        G  52   2.426  12.296   0.122
  557   2HO*    G  52          2HO*        G  52  -0.017  12.687   0.157
  558    H1*    G  52           H1*        G  52   0.832  14.379   0.954
  559    H8     G  52           H8         G  52   3.858  15.158   2.843
  560    H1     G  52           H1         G  52   4.831  16.002  -3.430
  561   1H2     G  52          1H2         G  52   3.196  15.035  -4.583
  562   2H2     G  52          2H2         G  52   1.875  14.186  -3.816
  563   1H5*    A  53          1H5*        A  53   0.243   8.692   0.566
  564   2H5*    A  53          2H5*        A  53   1.043   7.109   0.492
  565    H4*    A  53           H4*        A  53   0.004   7.810  -1.670
  566    H3*    A  53           H3*        A  53   2.944   7.221  -1.463
  567    H2*    A  53           H2*        A  53   3.384   7.970  -3.629
  568   2HO*    A  53          2HO*        A  53   0.734   7.208  -4.042
  569    H1*    A  53           H1*        A  53   1.542  10.024  -3.803
  570    H8     A  53           H8         A  53   3.224  10.249  -0.434
  571   1H6     A  53          1H6         A  53   7.850  13.207  -3.267
  572   2H6     A  53          2H6         A  53   7.166  12.751  -1.722
  573    H2     A  53           H2         A  53   5.118  11.554  -6.433
  574   1H5*    A  54          1H5*        A  54   1.631   5.333  -5.063
  575   2H5*    A  54          2H5*        A  54   2.393   3.742  -5.261
  576    H4*    A  54           H4*        A  54   2.803   5.349  -7.153
  577    H3*    A  54           H3*        A  54   5.101   4.155  -5.603
  578    H2*    A  54           H2*        A  54   6.642   5.401  -6.838
  579   2HO*    A  54          2HO*        A  54   4.583   5.672  -8.787
  580    H1*    A  54           H1*        A  54   5.065   7.671  -7.296
  581    H8     A  54           H8         A  54   5.092   6.588  -3.648
  582   1H6     A  54          1H6         A  54  10.246   9.926  -3.044
  583   2H6     A  54          2H6         A  54   9.038   8.982  -2.207
  584    H2     A  54           H2         A  54   9.206   9.775  -7.416
  585   1H5*    G  55          1H5*        G  55   5.965   2.926  -9.876
  586   2H5*    G  55          2H5*        G  55   6.583   1.267  -9.753
  587    H4*    G  55           H4*        G  55   8.145   2.771 -10.941
  588    H3*    G  55           H3*        G  55   9.045   1.586  -8.305
  589    H2*    G  55           H2*        G  55  11.115   2.712  -8.517
  590   2HO*    G  55          2HO*        G  55  11.854   3.534 -10.461
  591    H1*    G  55           H1*        G  55  10.143   5.063  -9.556
  592    H8     G  55           H8         G  55   7.946   3.647  -6.754
  593    H1     G  55           H1         G  55  12.915   7.120  -4.718
  594   1H2     G  55          1H2         G  55  14.234   7.631  -6.429
  595   2H2     G  55          2H2         G  55  13.892   7.115  -8.063
  596   1H5*    A  56          1H5*        A  56  11.995   0.901 -10.612
  597   2H5*    A  56          2H5*        A  56  12.705  -0.724 -10.702
  598    H4*    A  56           H4*        A  56  14.443   0.773 -10.023
  599    H3*    A  56           H3*        A  56  13.376  -0.829  -7.681
  600    H2*    A  56           H2*        A  56  14.917   0.251  -6.295
  601   2HO*    A  56          2HO*        A  56  16.382   0.916  -8.650
  602    H1*    A  56           H1*        A  56  15.033   2.681  -7.766
  603    H8     A  56           H8         A  56  11.531   1.674  -6.654
  604   1H6     A  56          1H6         A  56  12.785   4.581  -1.350
  605   2H6     A  56          2H6         A  56  11.543   3.802  -2.304
  606    H2     A  56           H2         A  56  16.583   4.369  -3.739
  607   1H5*    A  57          1H5*        A  57  17.814  -1.709  -7.875
  608   2H5*    A  57          2H5*        A  57  17.926  -3.437  -7.486
  609    H4*    A  57           H4*        A  57  19.416  -2.057  -6.076
  610    H3*    A  57           H3*        A  57  17.147  -3.505  -4.690
  611    H2*    A  57           H2*        A  57  17.848  -2.617  -2.648
  612   2HO*    A  57          2HO*        A  57  19.895  -2.776  -2.233
  613    H1*    A  57           H1*        A  57  18.912  -0.198  -3.642
  614    H8     A  57           H8         A  57  15.300  -1.217  -4.528
  615   1H6     A  57          1H6         A  57  13.628   1.985   0.480
  616   2H6     A  57          2H6         A  57  13.062   1.062  -0.893
  617    H2     A  57           H2         A  57  18.124   1.937   0.306
  618   1H5*    C  58          1H5*        C  58  20.963  -4.140  -2.960
  619   2H5*    C  58          2H5*        C  58  21.351  -5.854  -2.717
  620    H4*    C  58           H4*        C  58  22.060  -4.781  -0.739
  621    H3*    C  58           H3*        C  58  19.343  -6.048  -0.320
  622    H2*    C  58           H2*        C  58  19.313  -5.232   1.886
  623   2HO*    C  58          2HO*        C  58  21.880  -4.235   2.014
  624    H1*    C  58           H1*        C  58  20.595  -2.807   1.402
  625   1H4     C  58          1H4         C  58  14.426  -1.292   1.728
  626   2H4     C  58          2H4         C  58  14.107  -2.110   0.215
  627    H5     C  58           H5         C  58  15.789  -3.316  -1.015
  628    H6     C  58           H6         C  58  18.134  -4.035  -1.039
  629   1H5*    C  59          1H5*        C  59  21.428  -7.003   3.162
  630   2H5*    C  59          2H5*        C  59  20.892  -8.598   3.729
  631    H4*    C  59           H4*        C  59  20.374  -6.696   5.292
  632    H3*    C  59           H3*        C  59  18.147  -8.415   4.182
  633    H2*    C  59           H2*        C  59  16.561  -7.119   5.308
  634   2HO*    C  59          2HO*        C  59  18.683  -6.207   6.979
  635    H1*    C  59           H1*        C  59  17.956  -4.670   5.250
  636   1H4     C  59          1H4         C  59  13.198  -3.863   1.127
  637   2H4     C  59          2H4         C  59  13.926  -4.992   0.003
  638    H5     C  59           H5         C  59  15.940  -6.231   0.492
  639    H6     C  59           H6         C  59  17.679  -6.660   2.167
  640   1H5*    G  60          1H5*        G  60  18.055  -8.161   8.605
  641   2H5*    G  60          2H5*        G  60  18.160  -9.825   9.213
  642    H4*    G  60           H4*        G  60  16.597  -8.798  10.633
  643    H3*    G  60           H3*        G  60  15.163 -10.324   8.455
  644    H2*    G  60           H2*        G  60  13.090  -9.569   9.250
  645   2HO*    G  60          2HO*        G  60  13.649  -8.281  11.517
  646    H1*    G  60           H1*        G  60  13.867  -7.027  10.051
  647    H8     G  60           H8         G  60  15.158  -8.159   6.620
  648    H1     G  60           H1         G  60   9.439  -5.288   6.470
  649   1H2     G  60          1H2         G  60   8.690  -4.975   8.542
  650   2H2     G  60          2H2         G  60   9.595  -5.475   9.954
  651   1H5*    G  61          1H5*        G  61  12.938 -10.398  11.728
  652   2H5*    G  61          2H5*        G  61  12.619 -12.048  12.294
  653    H4*    G  61           H4*        G  61  10.530 -10.859  12.253
  654    H3*    G  61           H3*        G  61  10.826 -12.856  10.002
  655    H2*    G  61           H2*        G  61   8.778 -12.198   9.117
  656   2HO*    G  61          2HO*        G  61   8.144 -11.294  11.740
  657    H1*    G  61           H1*        G  61   8.762  -9.533  10.104
  658    H8     G  61           H8         G  61  11.723 -10.605   7.921
  659    H1     G  61           H1         G  61   6.726  -8.361   4.627
  660   1H2     G  61          1H2         G  61   4.988  -8.063   5.980
  661   2H2     G  61          2H2         G  61   5.062  -8.417   7.692
  662   1H5*    G  62          1H5*        G  62   7.108 -12.943  11.505
  663   2H5*    G  62          2H5*        G  62   6.583 -14.527  12.109
  664    H4*    G  62           H4*        G  62   4.794 -13.653  10.786
  665    H3*    G  62           H3*        G  62   6.359 -15.829   9.401
  666    H2*    G  62           H2*        G  62   5.182 -15.517   7.424
  667   2HO*    G  62          2HO*        G  62   3.137 -15.165   9.161
  668    H1*    G  62           H1*        G  62   4.465 -12.792   7.784
  669    H8     G  62           H8         G  62   8.166 -13.863   7.858
  670    H1     G  62           H1         G  62   6.013 -12.087   2.099
  671   1H2     G  62          1H2         G  62   3.822 -11.763   2.173
  672   2H2     G  62          2H2         G  62   2.888 -11.981   3.637
  673   1H5*    G  63          1H5*        G  63   5.409 -20.058   8.870
  674   2H5*    G  63          2H5*        G  63   6.740 -19.206   8.063
  675    H4*    G  63           H4*        G  63   3.800 -19.187   7.445
  676    H3*    G  63           H3*        G  63   6.341 -19.699   5.940
  677    H2*    G  63           H2*        G  63   5.628 -18.552   4.025
  678   2HO*    G  63          2HO*        G  63   3.000 -18.127   4.843
  679    H1*    G  63           H1*        G  63   4.306 -16.471   5.186
  680    H8     G  63           H8         G  63   7.118 -16.688   7.518
  681    H1     G  63           H1         G  63   9.130 -14.794   1.746
  682   1H2     G  63          1H2         G  63   7.544 -15.115   0.248
  683   2H2     G  63          2H2         G  63   5.989 -15.803   0.656
  684   1H5*    A  64          1H5*        A  64   7.687 -23.237   4.890
  685   2H5*    A  64          2H5*        A  64   8.085 -21.545   4.526
  686    H4*    A  64           H4*        A  64   8.811 -23.423   2.866
  687    H3*    A  64           H3*        A  64   7.730 -20.714   2.251
  688    H2*    A  64           H2*        A  64   7.184 -21.170   0.034
  689   2HO*    A  64          2HO*        A  64   9.003 -23.358   0.215
  690    H1*    A  64           H1*        A  64   6.443 -23.800   0.187
  691    H8     A  64           H8         A  64   5.121 -21.854   3.183
  692   1H6     A  64          1H6         A  64   0.206 -20.536  -0.305
  693   2H6     A  64          2H6         A  64   0.894 -20.460   1.302
  694    H2     A  64           H2         A  64   3.283 -22.481  -2.940
  695   1H5*    A  65          1H5*        A  65   9.515 -17.442   0.162
  696   2H5*    A  65          2H5*        A  65   8.350 -18.565   0.890
  697    H4*    A  65           H4*        A  65   9.402 -19.160  -1.855
  698    H3*    A  65           H3*        A  65   7.597 -16.859  -1.200
  699    H2*    A  65           H2*        A  65   5.932 -17.512  -2.700
  700   2HO*    A  65          2HO*        A  65   6.569 -18.088  -4.610
  701    H1*    A  65           H1*        A  65   6.112 -20.240  -2.487
  702    H8     A  65           H8         A  65   6.334 -19.424   1.060
  703   1H6     A  65          1H6         A  65   0.324 -17.996   1.026
  704   2H6     A  65          2H6         A  65   1.714 -18.342   2.030
  705    H2     A  65           H2         A  65   1.710 -18.264  -3.243
  706   1H5*    A  66          1H5*        A  66   7.599 -15.054  -6.166
  707   2H5*    A  66          2H5*        A  66   7.497 -13.688  -5.037
  708    H4*    A  66           H4*        A  66   5.472 -14.549  -6.691
  709    H3*    A  66           H3*        A  66   5.525 -12.845  -4.218
  710    H2*    A  66           H2*        A  66   3.202 -13.016  -3.893
  711   2HO*    A  66          2HO*        A  66   2.506 -12.573  -5.980
  712    H1*    A  66           H1*        A  66   2.852 -15.630  -4.530
  713    H8     A  66           H8         A  66   6.196 -15.016  -2.768
  714   1H6     A  66          1H6         A  66   3.142 -15.968   2.517
  715   2H6     A  66          2H6         A  66   4.722 -15.749   1.790
  716    H2     A  66           H2         A  66   0.122 -15.817  -0.831
  717   1H5*    C  67          1H5*        C  67   3.303 -10.434  -6.248
  718   2H5*    C  67          2H5*        C  67   3.548  -8.694  -6.003
  719    H4*    C  67           H4*        C  67   1.654  -9.688  -4.679
  720    H3*    C  67           H3*        C  67   3.936  -8.262  -3.315
  721    H2*    C  67           H2*        C  67   3.037  -8.740  -1.196
  722   2HO*    C  67          2HO*        C  67   0.647  -9.860  -2.048
  723    H1*    C  67           H1*        C  67   2.113 -11.283  -1.712
  724   1H4     C  67          1H4         C  67   7.813 -12.100   1.013
  725   2H4     C  67          2H4         C  67   8.612 -11.723  -0.497
  726    H5     C  67           H5         C  67   7.432 -11.027  -2.477
  727    H6     C  67           H6         C  67   5.232 -10.540  -3.439
  728   1H5*    U  68          1H5*        U  68   1.070  -7.267  -1.263
  729   2H5*    U  68          2H5*        U  68   0.597  -5.557  -1.223
  730    H4*    U  68           H4*        U  68   0.725  -6.204   1.040
  731    H3*    U  68           H3*        U  68   3.240  -4.752   0.202
  732    H2*    U  68           H2*        U  68   4.166  -5.084   2.342
  733   2HO*    U  68          2HO*        U  68   2.963  -5.402   4.144
  734    H1*    U  68           H1*        U  68   3.113  -7.612   2.822
  735    H3     U  68           H3         U  68   7.519  -8.539   2.589
  736    H5     U  68           H5         U  68   6.480  -7.616  -1.389
  737    H6     U  68           H6         U  68   4.273  -6.995  -0.601
  738   1H5*    U  69          1H5*        U  69   1.676  -3.431   3.616
  739   2H5*    U  69          2H5*        U  69   1.437  -1.708   3.973
  740    H4*    U  69           H4*        U  69   2.574  -2.637   5.851
  741    H3*    U  69           H3*        U  69   4.438  -1.093   4.037
  742    H2*    U  69           H2*        U  69   6.244  -1.652   5.398
  743   2HO*    U  69          2HO*        U  69   4.274  -1.912   7.401
  744    H1*    U  69           H1*        U  69   5.330  -4.158   6.271
  745    H3     U  69           H3         U  69   9.191  -5.304   4.249
  746    H5     U  69           H5         U  69   6.847  -3.790   1.095
  747    H6     U  69           H6         U  69   5.155  -3.190   2.724
  748   1H5*    G  70          1H5*        G  70   5.262  -0.377   7.735
  749   2H5*    G  70          2H5*        G  70   5.669   1.274   8.245
  750    H4*    G  70           H4*        G  70   7.498  -0.207   8.810
  751    H3*    G  70           H3*        G  70   8.090   1.639   6.478
  752    H2*    G  70           H2*        G  70  10.189   0.662   6.258
  753   2HO*    G  70          2HO*        G  70  11.136  -0.508   8.078
  754    H1*    G  70           H1*        G  70   9.519  -1.877   7.357
  755    H8     G  70           H8         G  70   7.696  -0.556   4.217
  756    H1     G  70           H1         G  70  12.978  -3.989   3.095
  757   1H2     G  70          1H2         G  70  13.997  -4.450   5.012
  758   2H2     G  70          2H2         G  70  13.371  -3.916   6.555
  759   1H5*    G  71          1H5*        G  71  11.184   2.127  10.216
  760   2H5*    G  71          2H5*        G  71  11.122   3.898  10.292
  761    H4*    G  71           H4*        G  71  13.378   3.454  10.653
  762    H3*    G  71           H3*        G  71  12.891   4.126   7.775
  763    H2*    G  71           H2*        G  71  15.022   3.445   7.081
  764   2HO*    G  71          2HO*        G  71  16.308   2.890   9.372
  765    H1*    G  71           H1*        G  71  15.386   1.266   8.678
  766    H8     G  71           H8         G  71  11.764   1.435   7.560
  767    H1     G  71           H1         G  71  15.672  -1.068   3.149
  768   1H2     G  71          1H2         G  71  17.782  -0.870   3.812
  769   2H2     G  71          2H2         G  71  18.226  -0.094   5.315
  770   1H5*    U  72          1H5*        U  72  16.726   5.687   8.636
  771   2H5*    U  72          2H5*        U  72  16.668   7.446   8.415
  772    H4*    U  72           H4*        U  72  18.644   6.664   7.322
  773    H3*    U  72           H3*        U  72  16.430   7.329   5.371
  774    H2*    U  72           H2*        U  72  17.835   6.703   3.576
  775   2HO*    U  72          2HO*        U  72  20.161   6.059   4.601
  776    H1*    U  72           H1*        U  72  18.964   4.495   4.760
  777    H3     U  72           H3         U  72  16.241   2.749   1.583
  778    H5     U  72           H5         U  72  13.587   4.104   4.564
  779    H6     U  72           H6         U  72  15.486   5.086   5.715
  780   1H5*    U  73          1H5*        U  73  19.999   8.720   3.791
  781   2H5*    U  73          2H5*        U  73  19.860  10.453   3.426
  782    H4*    U  73           H4*        U  73  20.816   9.285   1.523
  783    H3*    U  73           H3*        U  73  17.962  10.212   1.079
  784    H2*    U  73           H2*        U  73  18.170   9.445  -1.156
  785   2HO*    U  73          2HO*        U  73  20.945   9.528  -0.592
  786    H1*    U  73           H1*        U  73  19.584   7.138  -0.547
  787    H3     U  73           H3         U  73  15.604   5.564  -1.983
  788    H5     U  73           H5         U  73  14.758   7.140   1.835
  789    H6     U  73           H6         U  73  17.021   8.011   1.903
  790   1H5*    C  74          1H5*        C  74  20.323  11.212  -2.201
  791   2H5*    C  74          2H5*        C  74  19.910  12.826  -2.815
  792    H4*    C  74           H4*        C  74  19.794  11.122  -4.585
  793    H3*    C  74           H3*        C  74  17.128  12.318  -3.766
  794    H2*    C  74           H2*        C  74  16.131  11.043  -5.478
  795   2HO*    C  74          2HO*        C  74  17.723  11.611  -7.081
  796    H1*    C  74           H1*        C  74  17.731   8.785  -5.169
  797   1H4     C  74          1H4         C  74  12.266   7.321  -2.295
  798   2H4     C  74          2H4         C  74  12.571   8.474  -1.013
  799    H5     C  74           H5         C  74  14.512   9.914  -0.971
  800    H6     C  74           H6         C  74  16.549  10.571  -2.164
  801   1H5*    U  75          1H5*        U  75  17.719  13.310  -7.591
  802   2H5*    U  75          2H5*        U  75  16.985  14.744  -8.342
  803    H4*    U  75           H4*        U  75  15.970  12.632  -9.149
  804    H3*    U  75           H3*        U  75  14.230  14.548  -7.586
  805    H2*    U  75           H2*        U  75  12.445  13.065  -7.698
  806   2HO*    U  75          2HO*        U  75  13.689  11.842  -9.954
  807    H1*    U  75           H1*        U  75  13.964  10.666  -7.962
  808    H3     U  75           H3         U  75  11.139   9.749  -4.557
  809    H5     U  75           H5         U  75  13.903  12.474  -2.917
  810    H6     U  75           H6         U  75  14.819  12.775  -5.145
  811   1H5*    U  76          1H5*        U  76  12.519  14.161 -11.733
  812   2H5*    U  76          2H5*        U  76  11.950  15.746 -12.296
  813    H4*    U  76           H4*        U  76  10.215  14.022 -12.543
  814    H3*    U  76           H3*        U  76   9.742  16.308 -10.650
  815    H2*    U  76           H2*        U  76   7.825  15.355  -9.768
  816   2HO*    U  76          2HO*        U  76   7.154  13.426 -11.500
  817    H1*    U  76           H1*        U  76   8.373  12.628 -10.283
  818    H3     U  76           H3         U  76   7.501  12.667  -5.837
  819    H5     U  76           H5         U  76  11.211  14.631  -6.174
  820    H6     U  76           H6         U  76  10.963  14.546  -8.588
  821   1H5*    C  77          1H5*        C  77   4.828  17.948 -12.432
  822   2H5*    C  77          2H5*        C  77   5.802  18.009 -10.948
  823    H4*    C  77           H4*        C  77   3.960  15.737 -11.772
  824    H3*    C  77           H3*        C  77   3.598  18.041  -9.852
  825    H2*    C  77           H2*        C  77   2.623  16.630  -8.260
  826   2HO*    C  77          2HO*        C  77   1.082  15.686  -9.627
  827    H1*    C  77           H1*        C  77   4.064  14.306  -8.825
  828   1H4     C  77          1H4         C  77   6.429  16.835  -3.444
  829   2H4     C  77          2H4         C  77   7.671  17.609  -4.400
  830    H5     C  77           H5         C  77   7.704  17.559  -6.813
  831    H6     C  77           H6         C  77   6.514  16.818  -8.821
  832   1H5*    C  78          1H5*        C  78  -0.619  19.424  -9.133
  833   2H5*    C  78          2H5*        C  78   0.624  19.858  -7.940
  834    H4*    C  78           H4*        C  78  -1.501  17.730  -7.794
  835    H3*    C  78           H3*        C  78  -0.694  20.101  -6.158
  836    H2*    C  78           H2*        C  78  -0.842  18.992  -4.122
  837   2HO*    C  78          2HO*        C  78  -2.318  16.839  -5.201
  838    H1*    C  78           H1*        C  78  -0.198  16.403  -4.892
  839   1H4     C  78          1H4         C  78   4.940  18.951  -2.031
  840   2H4     C  78          2H4         C  78   5.597  19.272  -3.618
  841    H5     C  78           H5         C  78   4.353  18.949  -5.651
  842    H6     C  78           H6         C  78   2.212  18.242  -6.607
  843   1H5*    U  79          1H5*        U  79  -4.580  23.082  -5.113
  844   2H5*    U  79          2H5*        U  79  -2.893  22.532  -5.150
  845    H4*    U  79           H4*        U  79  -4.967  20.895  -3.706
  846    H3*    U  79           H3*        U  79  -3.882  23.535  -2.790
  847    H2*    U  79           H2*        U  79  -3.085  22.709  -0.780
  848   2HO*    U  79          2HO*        U  79  -5.170  20.804  -1.050
  849    H1*    U  79           H1*        U  79  -2.727  19.995  -1.462
  850    H3     U  79           H3         U  79   1.146  21.818   0.325
  851    H5     U  79           H5         U  79   1.286  22.457  -3.839
  852    H6     U  79           H6         U  79  -1.032  21.754  -3.960
  853   1H5*    A  80          1H5*        A  80  -6.149  26.091   0.044
  854   2H5*    A  80          2H5*        A  80  -4.515  26.552  -0.475
  855    H4*    A  80           H4*        A  80  -5.326  24.971   1.978
  856    H3*    A  80           H3*        A  80  -4.920  27.680   1.762
  857    H2*    A  80           H2*        A  80  -2.662  27.719   1.151
  858   2HO*    A  80          2HO*        A  80  -2.126  27.019   3.831
  859    H1*    A  80           H1*        A  80  -1.882  25.323   2.747
  860    H8     A  80           H8         A  80  -2.323  25.927  -1.073
  861   1H6     A  80          1H6         A  80   3.794  25.108  -1.375
  862   2H6     A  80          2H6         A  80   2.332  25.382  -2.297
  863    H2     A  80           H2         A  80   2.588  24.942   2.951
  864   1H5*    A  81          1H5*        A  81  -7.597  26.234   6.671
  865   2H5*    A  81          2H5*        A  81  -6.501  27.600   6.379
  866    H4*    A  81           H4*        A  81  -6.659  26.123   8.709
  867    H3*    A  81           H3*        A  81  -4.616  28.006   7.581
  868    H2*    A  81           H2*        A  81  -2.914  27.266   8.988
  869   2HO*    A  81          2HO*        A  81  -3.609  25.866  10.881
  870    H1*    A  81           H1*        A  81  -3.603  24.599   9.238
  871    H8     A  81           H8         A  81  -3.884  25.547   5.599
  872   1H6     A  81          1H6         A  81   2.211  24.619   5.193
  873   2H6     A  81          2H6         A  81   0.739  24.914   4.294
  874    H2     A  81           H2         A  81   1.083  24.518   9.542
  875   1H5*    G  82          1H5*        G  82  -2.973  30.517  11.760
  876   2H5*    G  82          2H5*        G  82  -2.415  30.761  10.093
  877    H4*    G  82           H4*        G  82  -1.343  28.936  12.225
  878    H3*    G  82           H3*        G  82  -0.262  31.089  10.467
  879    H2*    G  82           H2*        G  82   1.637  29.921   9.808
  880   2HO*    G  82          2HO*        G  82   1.801  29.299  12.273
  881    H1*    G  82           H1*        G  82   0.708  27.334   9.801
  882    H8     G  82           H8         G  82  -2.064  29.113   8.144
  883    H1     G  82           H1         G  82   3.083  28.742   4.353
  884   1H2     G  82          1H2         G  82   4.856  28.129   5.539
  885   2H2     G  82          2H2         G  82   4.774  27.812   7.258
  886   1H5*    U  83          1H5*        U  83   3.621  30.701  12.934
  887   2H5*    U  83          2H5*        U  83   3.690  32.414  13.398
  888    H4*    U  83           H4*        U  83   5.727  31.572  12.185
  889    H3*    U  83           H3*        U  83   4.121  33.908  11.182
  890    H2*    U  83           H2*        U  83   5.345  34.047   9.197
  891   2HO*    U  83          2HO*        U  83   7.408  32.883   9.023
  892    H1*    U  83           H1*        U  83   5.853  31.362   8.780
  893    H3     U  83           H3         U  83   3.146  32.461   5.315
  894    H5     U  83           H5         U  83   0.561  32.314   8.642
  895    H6     U  83           H6         U  83   2.508  32.020  10.060
  896   1H5*    C  84          1H5*        C  84   7.882  34.816  10.819
  897   2H5*    C  84          2H5*        C  84   8.561  36.336  11.439
  898    H4*    C  84           H4*        C  84   9.118  36.207   9.116
  899    H3*    C  84           H3*        C  84   6.876  38.139   9.714
  900    H2*    C  84           H2*        C  84   6.595  38.590   7.441
  901   2HO*    C  84          2HO*        C  84   8.973  37.332   6.638
  902    H1*    C  84           H1*        C  84   7.310  36.074   6.435
  903   1H4     C  84          1H4         C  84   0.988  36.321   5.834
  904   2H4     C  84          2H4         C  84   0.781  36.190   7.566
  905    H5     C  84           H5         C  84   2.626  36.137   9.116
  906    H6     C  84           H6         C  84   5.066  36.216   9.339
  907   1H5*    C  85          1H5*        C  85   9.847  39.201   7.230
  908   2H5*    C  85          2H5*        C  85  10.762  40.709   7.431
  909    H4*    C  85           H4*        C  85  10.378  40.432   5.090
  910    H3*    C  85           H3*        C  85   8.593  42.512   6.357
  911    H2*    C  85           H2*        C  85   7.505  42.880   4.307
  912   2HO*    C  85          2HO*        C  85   9.208  41.278   2.777
  913    H1*    C  85           H1*        C  85   7.460  40.274   3.408
  914   1H4     C  85          1H4         C  85   1.719  41.100   6.033
  915   2H4     C  85          2H4         C  85   2.411  41.024   7.637
  916    H5     C  85           H5         C  85   4.772  40.842   8.048
  917    H6     C  85           H6         C  85   6.990  40.708   7.015
  918   1H5*    U  86          1H5*        U  86   9.444  43.653   2.766
  919   2H5*    U  86          2H5*        U  86  10.041  45.315   2.592
  920    H4*    U  86           H4*        U  86   8.094  44.840   1.135
  921    H3*    U  86           H3*        U  86   7.877  46.938   3.271
  922    H2*    U  86           H2*        U  86   5.601  47.051   3.103
  923   2HO*    U  86          2HO*        U  86   4.676  46.700   0.852
  924    H1*    U  86           H1*        U  86   5.298  44.691   1.373
  925    H3     U  86           H3         U  86   1.411  44.545   3.659
  926    H5     U  86           H5         U  86   4.359  43.874   6.600
  927    H6     U  86           H6         U  86   6.040  44.378   4.924
  928    H3T    U  86           H3T        U  86   7.435  47.963   0.986
  929   1HN1  NCO 101          1HN1      NCO 101 -10.877  10.329   3.339
  930   2HN1  NCO 101          2HN1      NCO 101 -11.969   9.111   3.318
  931   3HN1  NCO 101          3HN1      NCO 101 -10.724   9.076   4.381
  932   1HN2  NCO 101          1HN2      NCO 101 -12.778  12.375   3.468
  933   2HN2  NCO 101          2HN2      NCO 101 -14.246  11.936   4.045
  934   3HN2  NCO 101          3HN2      NCO 101 -13.468  10.977   2.968
  935   1HN3  NCO 101          1HN3      NCO 101 -10.280  11.729   4.842
  936   2HN3  NCO 101          2HN3      NCO 101 -11.445  12.878   4.906
  937   3HN3  NCO 101          3HN3      NCO 101 -10.875  12.214   6.290
  938   1HN4  NCO 101          1HN4      NCO 101 -12.141   9.762   7.523
  939   2HN4  NCO 101          2HN4      NCO 101 -10.686  10.061   6.838
  940   3HN4  NCO 101          3HN4      NCO 101 -11.512   8.704   6.443
  941   1HN5  NCO 101          1HN5      NCO 101 -14.208   9.198   4.179
  942   2HN5  NCO 101          2HN5      NCO 101 -14.577   9.416   5.758
  943   3HN5  NCO 101          3HN5      NCO 101 -13.419   8.341   5.330
  944   1HN6  NCO 101          1HN6      NCO 101 -14.556  11.493   6.304
  945   2HN6  NCO 101          2HN6      NCO 101 -13.396  11.307   7.444
  946   3HN6  NCO 101          3HN6      NCO 101 -13.371  12.612   6.455
  947   1HN1  NCO 102          1HN1      NCO 102  -8.045 -16.038  -3.015
  948   2HN1  NCO 102          2HN1      NCO 102  -7.943 -14.403  -3.030
  949   3HN1  NCO 102          3HN1      NCO 102  -8.821 -15.158  -1.871
  950   1HN2  NCO 102          1HN2      NCO 102  -8.396 -14.622  -5.707
  951   2HN2  NCO 102          2HN2      NCO 102  -8.408 -16.225  -5.377
  952   3HN2  NCO 102          3HN2      NCO 102  -9.545 -15.585  -6.366
  953   1HN3  NCO 102          1HN3      NCO 102  -9.441 -12.794  -3.360
  954   2HN3  NCO 102          2HN3      NCO 102 -10.751 -12.708  -4.340
  955   3HN3  NCO 102          3HN3      NCO 102  -9.269 -12.982  -4.979
  956   1HN4  NCO 102          1HN4      NCO 102 -11.177 -15.534  -1.784
  957   2HN4  NCO 102          2HN4      NCO 102 -10.974 -13.921  -1.976
  958   3HN4  NCO 102          3HN4      NCO 102 -12.223 -14.682  -2.712
  959   1HN5  NCO 102          1HN5      NCO 102 -10.776 -17.417  -4.608
  960   2HN5  NCO 102          2HN5      NCO 102 -11.009 -17.199  -3.001
  961   3HN5  NCO 102          3HN5      NCO 102  -9.501 -17.459  -3.584
  962   1HN6  NCO 102          1HN6      NCO 102 -12.541 -14.952  -4.624
  963   2HN6  NCO 102          2HN6      NCO 102 -11.641 -14.176  -5.751
  964   3HN6  NCO 102          3HN6      NCO 102 -11.735 -15.811  -5.764
  965   1HN1  NCO 103          1HN1      NCO 103  13.777  -9.611   2.710
  966   2HN1  NCO 103          2HN1      NCO 103  12.487  -8.601   2.732
  967   3HN1  NCO 103          3HN1      NCO 103  13.563  -8.528   1.499
  968   1HN2  NCO 103          1HN2      NCO 103  14.067 -10.053  -0.245
  969   2HN2  NCO 103          2HN2      NCO 103  12.906 -10.723  -1.185
  970   3HN2  NCO 103          3HN2      NCO 103  12.834  -9.133  -0.803
  971   1HN3  NCO 103          1HN3      NCO 103  10.125  -8.909   1.444
  972   2HN3  NCO 103          2HN3      NCO 103  11.232  -8.219   0.456
  973   3HN3  NCO 103          3HN3      NCO 103  10.209  -9.355  -0.128
  974   1HN4  NCO 103          1HN4      NCO 103  10.167 -11.364   2.502
  975   2HN4  NCO 103          2HN4      NCO 103  10.771 -10.023   3.223
  976   3HN4  NCO 103          3HN4      NCO 103  11.554 -11.454   3.365
  977   1HN5  NCO 103          1HN5      NCO 103  13.079 -12.728   1.215
  978   2HN5  NCO 103          2HN5      NCO 103  14.251 -11.589   1.293
  979   3HN5  NCO 103          3HN5      NCO 103  13.369 -11.949   2.624
  980   1HN6  NCO 103          1HN6      NCO 103  11.548 -12.143  -0.642
  981   2HN6  NCO 103          2HN6      NCO 103  10.175 -11.331  -0.270
  982   3HN6  NCO 103          3HN6      NCO 103  10.707 -12.532   0.709
  983   1HN1  NCO 104          1HN1      NCO 104   9.883  13.756   1.407
  984   2HN1  NCO 104          2HN1      NCO 104  10.548  13.011   0.110
  985   3HN1  NCO 104          3HN1      NCO 104  11.490  13.883   1.125
  986   1HN2  NCO 104          1HN2      NCO 104   8.054  14.299  -0.292
  987   2HN2  NCO 104          2HN2      NCO 104   8.088  15.275  -1.606
  988   3HN2  NCO 104          3HN2      NCO 104   8.840  13.820  -1.646
  989   1HN3  NCO 104          1HN3      NCO 104  10.937  13.691  -2.035
  990   2HN3  NCO 104          2HN3      NCO 104  11.154  15.169  -2.707
  991   3HN3  NCO 104          3HN3      NCO 104  12.248  14.587  -1.634
  992   1HN4  NCO 104          1HN4      NCO 104  12.463  15.534   0.740
  993   2HN4  NCO 104          2HN4      NCO 104  11.688  16.962   0.940
  994   3HN4  NCO 104          3HN4      NCO 104  12.439  16.629  -0.476
  995   1HN5  NCO 104          1HN5      NCO 104   8.515  15.613   1.354
  996   2HN5  NCO 104          2HN5      NCO 104   8.888  17.113   0.817
  997   3HN5  NCO 104          3HN5      NCO 104   9.879  16.355   1.876
  998   1HN6  NCO 104          1HN6      NCO 104  10.309  17.837  -1.070
  999   2HN6  NCO 104          2HN6      NCO 104   8.927  17.150  -1.619
 1000   3HN6  NCO 104          3HN6      NCO 104  10.337  16.898  -2.412
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   5.964 -45.933  -8.691
    2   2H5*    G   1          2H5*        G   1   6.205 -44.178  -8.576
    3    H4*    G   1           H4*        G   1   6.060 -44.997 -10.920
    4    H3*    G   1           H3*        G   1   4.218 -42.927  -9.830
    5    H2*    G   1           H2*        G   1   2.654 -43.051 -11.554
    6   2HO*    G   1          2HO*        G   1   4.523 -44.474 -13.161
    7    H1*    G   1           H1*        G   1   2.720 -45.710 -12.152
    8    H8     G   1           H8         G   1   2.960 -45.770  -8.455
    9    H1     G   1           H1         G   1  -2.914 -44.129 -10.415
   10   1H2     G   1          1H2         G   1  -2.887 -43.666 -12.586
   11   2H2     G   1          2H2         G   1  -1.429 -43.757 -13.549
   12    H5T    G   1           H5T        G   1   4.524 -45.308  -7.210
   13   1H5*    G   2          1H5*        G   2   3.991 -41.982 -13.356
   14   2H5*    G   2          2H5*        G   2   4.585 -40.375 -13.822
   15    H4*    G   2           H4*        G   2   2.316 -40.589 -14.593
   16    H3*    G   2           H3*        G   2   2.669 -38.766 -12.216
   17    H2*    G   2           H2*        G   2   0.375 -38.493 -11.988
   18   2HO*    G   2          2HO*        G   2  -1.031 -38.550 -13.713
   19    H1*    G   2           H1*        G   2  -0.463 -40.935 -13.175
   20    H8     G   2           H8         G   2   1.858 -41.476 -10.242
   21    H1     G   2           H1         G   2  -4.230 -40.468  -8.527
   22   1H2     G   2          1H2         G   2  -5.403 -39.775 -10.275
   23   2H2     G   2          2H2         G   2  -4.693 -39.564 -11.861
   24   1H5*    G   3          1H5*        G   3   0.124 -37.235 -15.055
   25   2H5*    G   3          2H5*        G   3   0.517 -35.611 -15.654
   26    H4*    G   3           H4*        G   3  -1.855 -35.721 -15.208
   27    H3*    G   3           H3*        G   3  -0.252 -34.065 -13.264
   28    H2*    G   3           H2*        G   3  -2.117 -33.696 -11.920
   29   2HO*    G   3          2HO*        G   3  -4.278 -34.011 -12.788
   30    H1*    G   3           H1*        G   3  -3.508 -36.083 -12.450
   31    H8     G   3           H8         G   3   0.159 -36.399 -11.358
   32    H1     G   3           H1         G   3  -4.055 -36.296  -6.537
   33   1H2     G   3          1H2         G   3  -6.083 -35.825  -7.318
   34   2H2     G   3          2H2         G   3  -6.393 -35.537  -9.014
   35   1H5*    A   4          1H5*        A   4  -3.778 -32.444 -14.066
   36   2H5*    A   4          2H5*        A   4  -3.801 -30.770 -14.656
   37    H4*    A   4           H4*        A   4  -5.450 -30.989 -12.910
   38    H3*    A   4           H3*        A   4  -2.986 -29.422 -12.158
   39    H2*    A   4           H2*        A   4  -3.685 -29.230  -9.948
   40   2HO*    A   4          2HO*        A   4  -6.245 -29.997  -9.952
   41    H1*    A   4           H1*        A   4  -5.218 -31.594  -9.772
   42    H8     A   4           H8         A   4  -1.556 -31.793 -10.960
   43   1H6     A   4          1H6         A   4  -0.175 -32.935  -5.052
   44   2H6     A   4          2H6         A   4   0.448 -32.841  -6.682
   45    H2     A   4           H2         A   4  -4.556 -31.940  -5.279
   46   1H5*    U   5          1H5*        U   5  -6.235 -27.720 -10.538
   47   2H5*    U   5          2H5*        U   5  -6.347 -25.953 -10.674
   48    H4*    U   5           H4*        U   5  -6.520 -26.689  -8.333
   49    H3*    U   5           H3*        U   5  -4.154 -25.025  -9.157
   50    H2*    U   5           H2*        U   5  -3.086 -25.313  -7.119
   51   2HO*    U   5          2HO*        U   5  -4.618 -24.503  -5.769
   52    H1*    U   5           H1*        U   5  -4.254 -27.774  -6.337
   53    H3     U   5           H3         U   5   0.066 -28.956  -6.045
   54    H5     U   5           H5         U   5  -0.412 -28.032 -10.131
   55    H6     U   5           H6         U   5  -2.674 -27.307  -9.635
   56   1H5*    A   6          1H5*        A   6  -7.806 -23.081  -5.721
   57   2H5*    A   6          2H5*        A   6  -6.870 -21.616  -5.361
   58    H4*    A   6           H4*        A   6  -7.661 -23.872  -3.588
   59    H3*    A   6           H3*        A   6  -8.130 -21.120  -3.560
   60    H2*    A   6           H2*        A   6  -6.050 -20.387  -2.798
   61   2HO*    A   6          2HO*        A   6  -7.061 -19.827  -0.980
   62    H1*    A   6           H1*        A   6  -5.520 -22.855  -1.184
   63    H8     A   6           H8         A   6  -3.986 -21.268  -4.382
   64   1H6     A   6          1H6         A   6   1.230 -20.917  -1.096
   65   2H6     A   6          2H6         A   6   0.499 -20.649  -2.662
   66    H2     A   6           H2         A   6  -1.993 -22.538   1.587
   67   1H5*    U   7          1H5*        U   7  -9.267 -20.193   1.688
   68   2H5*    U   7          2H5*        U   7  -7.763 -19.653   0.914
   69    H4*    U   7           H4*        U   7  -8.045 -20.651   3.507
   70    H3*    U   7           H3*        U   7  -5.735 -19.994   1.728
   71    H2*    U   7           H2*        U   7  -4.327 -21.553   2.650
   72   2HO*    U   7          2HO*        U   7  -5.568 -20.861   5.116
   73    H1*    U   7           H1*        U   7  -6.293 -22.973   4.278
   74    H3     U   7           H3         U   7  -5.025 -27.006   2.842
   75    H5     U   7           H5         U   7  -3.882 -24.494  -0.343
   76    H6     U   7           H6         U   7  -4.852 -22.628   0.865
   77   1H5*    G   8          1H5*        G   8  -2.357 -20.904   3.796
   78   2H5*    G   8          2H5*        G   8  -2.494 -19.623   5.018
   79    H4*    G   8           H4*        G   8  -0.361 -19.320   4.056
   80    H3*    G   8           H3*        G   8  -2.408 -17.384   3.051
   81    H2*    G   8           H2*        G   8  -1.117 -16.635   1.283
   82   2HO*    G   8          2HO*        G   8   1.288 -17.083   1.416
   83    H1*    G   8           H1*        G   8   0.474 -18.885   0.806
   84    H8     G   8           H8         G   8  -3.190 -19.798   0.885
   85    H1     G   8           H1         G   8  -1.333 -17.322  -4.713
   86   1H2     G   8          1H2         G   8   0.710 -16.482  -4.533
   87   2H2     G   8          2H2         G   8   1.615 -16.528  -3.038
   88   1H5*    G   9          1H5*        G   9  -3.134 -13.299   3.917
   89   2H5*    G   9          2H5*        G   9  -3.815 -14.179   2.535
   90    H4*    G   9           H4*        G   9  -0.980 -13.171   2.892
   91    H3*    G   9           H3*        G   9  -3.299 -12.334   1.224
   92    H2*    G   9           H2*        G   9  -2.178 -12.387  -0.821
   93   2HO*    G   9          2HO*        G   9   0.314 -12.469   0.555
   94    H1*    G   9           H1*        G   9  -0.520 -14.508  -0.478
   95    H8     G   9           H8         G   9  -3.332 -16.078   1.134
   96    H1     G   9           H1         G   9  -4.722 -14.962  -5.016
   97   1H2     G   9          1H2         G   9  -3.258 -13.535  -5.875
   98   2H2     G   9          2H2         G   9  -1.946 -12.854  -4.941
   99   1H5*    A  10          1H5*        A  10  -0.848  -8.481   1.429
  100   2H5*    A  10          2H5*        A  10  -1.951  -7.117   1.709
  101    H4*    A  10           H4*        A  10  -0.793  -7.095  -0.525
  102    H3*    A  10           H3*        A  10  -3.785  -7.026  -0.259
  103    H2*    A  10           H2*        A  10  -4.132  -7.288  -2.558
  104   2HO*    A  10          2HO*        A  10  -2.747  -6.589  -4.063
  105    H1*    A  10           H1*        A  10  -2.060  -8.987  -3.160
  106    H8     A  10           H8         A  10  -3.245 -10.537  -0.057
  107   1H6     A  10          1H6         A  10  -8.185 -12.668  -3.097
  108   2H6     A  10          2H6         A  10  -7.247 -12.773  -1.623
  109    H2     A  10           H2         A  10  -6.175  -9.606  -5.700
  110   1H5*    A  11          1H5*        A  11  -2.537  -3.842  -2.941
  111   2H5*    A  11          2H5*        A  11  -3.474  -2.343  -2.771
  112    H4*    A  11           H4*        A  11  -3.463  -3.282  -5.091
  113    H3*    A  11           H3*        A  11  -6.036  -2.862  -3.587
  114    H2*    A  11           H2*        A  11  -7.304  -3.859  -5.300
  115   2HO*    A  11          2HO*        A  11  -6.226  -4.347  -7.373
  116    H1*    A  11           H1*        A  11  -5.603  -5.895  -5.962
  117    H8     A  11           H8         A  11  -5.429  -5.568  -2.213
  118   1H6     A  11          1H6         A  11 -10.616  -8.924  -1.995
  119   2H6     A  11          2H6         A  11  -9.306  -8.243  -1.057
  120    H2     A  11           H2         A  11  -9.908  -7.743  -6.270
  121   1H5*    G  12          1H5*        G  12  -7.003  -0.435  -7.182
  122   2H5*    G  12          2H5*        G  12  -7.639   1.094  -6.542
  123    H4*    G  12           H4*        G  12  -9.254  -0.039  -8.029
  124    H3*    G  12           H3*        G  12  -9.964   0.324  -5.119
  125    H2*    G  12           H2*        G  12 -11.977  -0.852  -5.398
  126   2HO*    G  12          2HO*        G  12 -11.807  -0.991  -8.193
  127    H1*    G  12           H1*        G  12 -11.105  -2.748  -7.199
  128    H8     G  12           H8         G  12  -8.515  -2.252  -4.472
  129    H1     G  12           H1         G  12 -13.382  -6.019  -2.725
  130   1H2     G  12          1H2         G  12 -14.992  -5.934  -4.251
  131   2H2     G  12          2H2         G  12 -14.867  -4.950  -5.691
  132   1H5*    A  13          1H5*        A  13 -13.261   1.738  -7.596
  133   2H5*    A  13          2H5*        A  13 -14.039   3.165  -6.882
  134    H4*    A  13           H4*        A  13 -15.601   1.259  -7.369
  135    H3*    A  13           H3*        A  13 -15.308   2.324  -4.557
  136    H2*    A  13           H2*        A  13 -16.840   0.723  -3.765
  137   2HO*    A  13          2HO*        A  13 -17.531   0.057  -6.442
  138    H1*    A  13           H1*        A  13 -16.039  -1.392  -5.340
  139    H8     A  13           H8         A  13 -13.016   0.526  -4.062
  140   1H6     A  13          1H6         A  13 -13.405  -2.948   1.026
  141   2H6     A  13          2H6         A  13 -12.433  -1.792   0.146
  142    H2     A  13           H2         A  13 -17.096  -3.683  -1.435
  143   1H5*    A  14          1H5*        A  14 -19.659   2.510  -5.004
  144   2H5*    A  14          2H5*        A  14 -20.078   4.188  -4.604
  145    H4*    A  14           H4*        A  14 -21.440   2.742  -3.252
  146    H3*    A  14           H3*        A  14 -19.211   4.103  -1.735
  147    H2*    A  14           H2*        A  14 -19.821   2.977   0.237
  148   2HO*    A  14          2HO*        A  14 -21.837   2.580   0.690
  149    H1*    A  14           H1*        A  14 -20.490   0.546  -0.881
  150    H8     A  14           H8         A  14 -17.328   2.241  -2.278
  151   1H6     A  14          1H6         A  14 -14.241  -1.012   1.962
  152   2H6     A  14          2H6         A  14 -14.102   0.048   0.578
  153    H2     A  14           H2         A  14 -18.638  -1.602   2.699
  154   1H5*    C  15          1H5*        C  15 -22.425   4.657   0.737
  155   2H5*    C  15          2H5*        C  15 -22.554   6.334   1.299
  156    H4*    C  15           H4*        C  15 -22.418   4.912   3.232
  157    H3*    C  15           H3*        C  15 -19.867   6.434   2.669
  158    H2*    C  15           H2*        C  15 -18.809   5.372   4.454
  159   2HO*    C  15          2HO*        C  15 -21.316   4.570   5.524
  160    H1*    C  15           H1*        C  15 -20.281   2.956   4.398
  161   1H4     C  15          1H4         C  15 -14.470   1.286   2.435
  162   2H4     C  15          2H4         C  15 -14.611   2.302   1.018
  163    H5     C  15           H5         C  15 -16.534   3.674   0.562
  164    H6     C  15           H6         C  15 -18.706   4.436   1.401
  165   1H5*    C  16          1H5*        C  16 -20.998   6.307   6.515
  166   2H5*    C  16          2H5*        C  16 -21.050   7.813   7.452
  167    H4*    C  16           H4*        C  16 -19.918   6.166   8.781
  168    H3*    C  16           H3*        C  16 -18.081   8.232   7.565
  169    H2*    C  16           H2*        C  16 -16.214   7.136   8.399
  170   2HO*    C  16          2HO*        C  16 -17.898   5.864  10.314
  171    H1*    C  16           H1*        C  16 -17.312   4.513   8.515
  172   1H4     C  16          1H4         C  16 -12.824   4.091   4.053
  173   2H4     C  16          2H4         C  16 -13.653   5.254   3.040
  174    H5     C  16           H5         C  16 -15.687   6.364   3.696
  175    H6     C  16           H6         C  16 -17.348   6.629   5.480
  176   1H5*    G  17          1H5*        G  17 -17.282   7.039  11.644
  177   2H5*    G  17          2H5*        G  17 -17.335   8.495  12.659
  178    H4*    G  17           H4*        G  17 -15.498   7.459  13.566
  179    H3*    G  17           H3*        G  17 -14.439   9.112  11.267
  180    H2*    G  17           H2*        G  17 -12.317   8.194  11.545
  181   2HO*    G  17          2HO*        G  17 -11.706   7.208  13.577
  182    H1*    G  17           H1*        G  17 -13.108   5.695  12.629
  183    H8     G  17           H8         G  17 -14.871   5.792   9.441
  184    H1     G  17           H1         G  17  -8.570   5.157   8.496
  185   1H2     G  17          1H2         G  17  -7.474   5.593  10.377
  186   2H2     G  17          2H2         G  17  -8.290   6.033  11.861
  187   1H5*    G  18          1H5*        G  18 -12.003   9.116  14.223
  188   2H5*    G  18          2H5*        G  18 -11.553  10.648  14.998
  189    H4*    G  18           H4*        G  18  -9.557   9.329  14.671
  190    H3*    G  18           H3*        G  18  -9.811  11.708  12.825
  191    H2*    G  18           H2*        G  18  -7.848  11.107  11.720
  192   2HO*    G  18          2HO*        G  18  -6.977   9.251  13.619
  193    H1*    G  18           H1*        G  18  -7.993   8.315  12.144
  194    H8     G  18           H8         G  18 -11.120   9.711  10.523
  195    H1     G  18           H1         G  18  -6.390   8.550   6.375
  196   1H2     G  18          1H2         G  18  -4.506   8.120   7.469
  197   2H2     G  18          2H2         G  18  -4.416   8.117   9.215
  198   1H5*    G  19          1H5*        G  19  -5.932  11.189  13.665
  199   2H5*    G  19          2H5*        G  19  -5.356  12.529  14.675
  200    H4*    G  19           H4*        G  19  -3.644  12.243  13.100
  201    H3*    G  19           H3*        G  19  -5.496  14.461  12.222
  202    H2*    G  19           H2*        G  19  -4.356  14.687  10.200
  203   2HO*    G  19          2HO*        G  19  -2.250  14.341  11.718
  204    H1*    G  19           H1*        G  19  -3.529  12.018   9.890
  205    H8     G  19           H8         G  19  -7.230  12.892  10.602
  206    H1     G  19           H1         G  19  -5.745  12.241   4.409
  207   1H2     G  19          1H2         G  19  -3.557  11.957   4.175
  208   2H2     G  19          2H2         G  19  -2.463  11.926   5.541
  209   1H5*    G  20          1H5*        G  20  -5.602  18.535  12.615
  210   2H5*    G  20          2H5*        G  20  -6.787  17.475  11.825
  211    H4*    G  20           H4*        G  20  -3.868  17.831  11.064
  212    H3*    G  20           H3*        G  20  -6.434  18.876   9.914
  213    H2*    G  20           H2*        G  20  -5.877  18.280   7.720
  214   2HO*    G  20          2HO*        G  20  -3.856  18.215   6.987
  215    H1*    G  20           H1*        G  20  -4.593  15.908   8.180
  216    H8     G  20           H8         G  20  -7.423  15.770  10.579
  217    H1     G  20           H1         G  20  -9.429  15.074   4.541
  218   1H2     G  20          1H2         G  20  -7.802  15.559   3.139
  219   2H2     G  20          2H2         G  20  -6.216  16.069   3.674
  220   1H5*    A  21          1H5*        A  21  -7.379  22.905   9.577
  221   2H5*    A  21          2H5*        A  21  -8.051  21.408   8.899
  222    H4*    A  21           H4*        A  21  -8.352  23.663   7.614
  223    H3*    A  21           H3*        A  21  -7.784  20.954   6.523
  224    H2*    A  21           H2*        A  21  -7.028  21.671   4.440
  225   2HO*    A  21          2HO*        A  21  -8.785  22.919   3.867
  226    H1*    A  21           H1*        A  21  -5.846  24.065   5.069
  227    H8     A  21           H8         A  21  -5.024  21.411   7.676
  228   1H6     A  21          1H6         A  21  -0.206  19.932   4.114
  229   2H6     A  21          2H6         A  21  -0.977  19.690   5.665
  230    H2     A  21           H2         A  21  -2.778  22.814   1.820
  231   1H5*    A  22          1H5*        A  22 -10.398  18.865   3.633
  232   2H5*    A  22          2H5*        A  22  -8.897  18.065   4.141
  233    H4*    A  22           H4*        A  22  -9.330  20.235   2.126
  234    H3*    A  22           H3*        A  22  -7.866  17.630   2.256
  235    H2*    A  22           H2*        A  22  -5.957  18.414   1.186
  236   2HO*    A  22          2HO*        A  22  -6.292  20.672   0.101
  237    H1*    A  22           H1*        A  22  -5.922  21.041   2.026
  238    H8     A  22           H8         A  22  -6.397  19.764   5.306
  239   1H6     A  22          1H6         A  22  -0.792  17.180   5.227
  240   2H6     A  22          2H6         A  22  -2.125  17.693   6.237
  241    H2     A  22           H2         A  22  -1.907  18.186   0.990
  242   1H5*    A  23          1H5*        A  23  -7.729  17.566  -2.968
  243   2H5*    A  23          2H5*        A  23  -8.145  15.886  -2.569
  244    H4*    A  23           H4*        A  23  -5.897  16.498  -3.844
  245    H3*    A  23           H3*        A  23  -6.436  14.341  -1.837
  246    H2*    A  23           H2*        A  23  -4.168  13.864  -1.489
  247   2HO*    A  23          2HO*        A  23  -2.720  14.013  -3.039
  248    H1*    A  23           H1*        A  23  -3.121  16.373  -1.592
  249    H8     A  23           H8         A  23  -6.571  16.133   0.094
  250   1H6     A  23          1H6         A  23  -3.463  15.536   5.399
  251   2H6     A  23          2H6         A  23  -5.048  15.746   4.680
  252    H2     A  23           H2         A  23  -0.481  15.432   2.018
  253   1H5*    C  24          1H5*        C  24  -4.372  12.279  -4.412
  254   2H5*    C  24          2H5*        C  24  -4.723  10.544  -4.555
  255    H4*    C  24           H4*        C  24  -2.694  11.104  -3.171
  256    H3*    C  24           H3*        C  24  -4.987   9.519  -2.009
  257    H2*    C  24           H2*        C  24  -3.931   9.446   0.087
  258   2HO*    C  24          2HO*        C  24  -1.569  10.441  -0.068
  259    H1*    C  24           H1*        C  24  -2.803  11.969   0.064
  260   1H4     C  24          1H4         C  24  -8.090  12.656   3.534
  261   2H4     C  24          2H4         C  24  -9.087  12.525   2.101
  262    H5     C  24           H5         C  24  -8.196  12.077  -0.090
  263    H6     C  24           H6         C  24  -6.159  11.657  -1.385
  264   1H5*    U  25          1H5*        U  25  -1.743   8.160  -0.685
  265   2H5*    U  25          2H5*        U  25  -1.375   6.426  -0.719
  266    H4*    U  25           H4*        U  25  -1.139   7.269   1.547
  267    H3*    U  25           H3*        U  25  -3.501   5.447   1.067
  268    H2*    U  25           H2*        U  25  -4.197   5.715   3.285
  269   2HO*    U  25          2HO*        U  25  -1.526   6.546   3.824
  270    H1*    U  25           H1*        U  25  -3.284   8.344   3.670
  271    H3     U  25           H3         U  25  -7.712   8.794   4.393
  272    H5     U  25           H5         U  25  -7.434   8.077   0.251
  273    H6     U  25           H6         U  25  -5.067   7.655   0.549
  274   1H5*    U  26          1H5*        U  26  -1.445   4.829   4.262
  275   2H5*    U  26          2H5*        U  26  -0.646   3.293   4.655
  276    H4*    U  26           H4*        U  26  -1.580   3.930   6.696
  277    H3*    U  26           H3*        U  26  -3.521   2.081   5.293
  278    H2*    U  26           H2*        U  26  -5.039   2.343   7.058
  279   2HO*    U  26          2HO*        U  26  -3.514   3.755   8.837
  280    H1*    U  26           H1*        U  26  -4.474   5.008   7.653
  281    H3     U  26           H3         U  26  -8.730   5.466   6.282
  282    H5     U  26           H5         U  26  -6.764   4.036   2.843
  283    H6     U  26           H6         U  26  -4.743   3.813   4.168
  284   1H5*    G  27          1H5*        G  27  -3.800   1.234   8.956
  285   2H5*    G  27          2H5*        G  27  -3.692  -0.481   9.394
  286    H4*    G  27           H4*        G  27  -5.769   0.287  10.249
  287    H3*    G  27           H3*        G  27  -6.189  -1.217   7.649
  288    H2*    G  27           H2*        G  27  -8.477  -0.799   7.823
  289   2HO*    G  27          2HO*        G  27  -8.353  -0.057  10.536
  290    H1*    G  27           H1*        G  27  -8.272   1.614   9.317
  291    H8     G  27           H8         G  27  -6.582   1.390   5.865
  292    H1     G  27           H1         G  27 -12.630   3.495   5.800
  293   1H2     G  27          1H2         G  27 -13.521   3.273   7.818
  294   2H2     G  27          2H2         G  27 -12.634   2.619   9.175
  295   1H5*    G  28          1H5*        G  28  -9.058  -2.312  10.894
  296   2H5*    G  28          2H5*        G  28  -9.157  -4.083  10.859
  297    H4*    G  28           H4*        G  28 -11.393  -3.145  10.938
  298    H3*    G  28           H3*        G  28 -10.635  -4.400   8.292
  299    H2*    G  28           H2*        G  28 -12.675  -3.772   7.388
  300   2HO*    G  28          2HO*        G  28 -13.770  -3.445   9.991
  301    H1*    G  28           H1*        G  28 -13.163  -1.517   9.050
  302    H8     G  28           H8         G  28 -10.047  -1.870   6.778
  303    H1     G  28           H1         G  28 -14.985   1.219   4.133
  304   1H2     G  28          1H2         G  28 -16.718   1.216   5.527
  305   2H2     G  28          2H2         G  28 -16.669   0.424   7.085
  306   1H5*    U  29          1H5*        U  29 -14.641  -5.888  10.360
  307   2H5*    U  29          2H5*        U  29 -14.752  -7.589   9.867
  308    H4*    U  29           H4*        U  29 -16.919  -6.482   9.639
  309    H3*    U  29           H3*        U  29 -15.569  -7.263   7.044
  310    H2*    U  29           H2*        U  29 -17.412  -6.406   5.853
  311   2HO*    U  29          2HO*        U  29 -19.060  -5.852   8.002
  312    H1*    U  29           H1*        U  29 -17.939  -4.233   7.505
  313    H3     U  29           H3         U  29 -16.601  -2.253   3.644
  314    H5     U  29           H5         U  29 -13.065  -3.908   5.238
  315    H6     U  29           H6         U  29 -14.414  -4.970   6.957
  316   1H5*    U  30          1H5*        U  30 -19.140  -8.523   6.283
  317   2H5*    U  30          2H5*        U  30 -19.223 -10.256   5.906
  318    H4*    U  30           H4*        U  30 -20.245  -9.181   4.070
  319    H3*    U  30           H3*        U  30 -17.382  -9.907   3.422
  320    H2*    U  30           H2*        U  30 -17.559  -8.863   1.345
  321   2HO*    U  30          2HO*        U  30 -20.351  -8.617   1.399
  322    H1*    U  30           H1*        U  30 -19.428  -6.879   2.046
  323    H3     U  30           H3         U  30 -15.990  -4.357   0.591
  324    H5     U  30           H5         U  30 -14.466  -6.200   4.063
  325    H6     U  30           H6         U  30 -16.515  -7.492   4.195
  326   1H5*    C  31          1H5*        C  31 -20.261 -10.695   0.260
  327   2H5*    C  31          2H5*        C  31 -19.782 -12.097  -0.719
  328    H4*    C  31           H4*        C  31 -20.166  -9.975  -2.022
  329    H3*    C  31           H3*        C  31 -17.471 -11.352  -2.118
  330    H2*    C  31           H2*        C  31 -16.686  -9.690  -3.572
  331   2HO*    C  31          2HO*        C  31 -17.939  -9.070  -5.128
  332    H1*    C  31           H1*        C  31 -18.129  -7.547  -2.505
  333   1H4     C  31          1H4         C  31 -12.222  -6.698  -0.321
  334   2H4     C  31          2H4         C  31 -12.372  -8.086   0.735
  335    H5     C  31           H5         C  31 -14.315  -9.509   0.776
  336    H6     C  31           H6         C  31 -16.517  -9.932  -0.212
  337   1H5*    U  32          1H5*        U  32 -18.509 -10.589  -6.160
  338   2H5*    U  32          2H5*        U  32 -18.262 -12.066  -7.113
  339    H4*    U  32           H4*        U  32 -17.093 -10.213  -8.164
  340    H3*    U  32           H3*        U  32 -15.351 -12.318  -6.881
  341    H2*    U  32           H2*        U  32 -13.415 -11.110  -7.416
  342   2HO*    U  32          2HO*        U  32 -13.880  -9.130  -8.907
  343    H1*    U  32           H1*        U  32 -14.415  -8.550  -7.061
  344    H3     U  32           H3         U  32 -11.446  -8.750  -3.693
  345    H5     U  32           H5         U  32 -14.422 -11.488  -2.530
  346    H6     U  32           H6         U  32 -15.484 -11.143  -4.685
  347   1H5*    U  33          1H5*        U  33 -14.027 -10.867 -10.715
  348   2H5*    U  33          2H5*        U  33 -13.419 -12.180 -11.743
  349    H4*    U  33           H4*        U  33 -11.890 -10.193 -11.570
  350    H3*    U  33           H3*        U  33 -10.989 -12.960 -10.812
  351    H2*    U  33           H2*        U  33  -8.974 -12.198  -9.945
  352   2HO*    U  33          2HO*        U  33  -9.261  -9.774 -11.409
  353    H1*    U  33           H1*        U  33  -9.752  -9.600  -9.184
  354    H3     U  33           H3         U  33  -8.291 -11.212  -5.232
  355    H5     U  33           H5         U  33 -11.757 -13.472  -6.021
  356    H6     U  33           H6         U  33 -11.864 -12.428  -8.209
  357   1H5*    C  34          1H5*        C  34  -6.761 -13.151 -13.916
  358   2H5*    C  34          2H5*        C  34  -6.839 -14.317 -12.580
  359    H4*    C  34           H4*        C  34  -5.355 -11.720 -12.777
  360    H3*    C  34           H3*        C  34  -4.733 -14.540 -11.980
  361    H2*    C  34           H2*        C  34  -3.444 -13.930 -10.152
  362   2HO*    C  34          2HO*        C  34  -2.041 -12.356 -10.280
  363    H1*    C  34           H1*        C  34  -4.622 -11.479  -9.495
  364   1H4     C  34          1H4         C  34  -6.409 -15.712  -5.052
  365   2H4     C  34          2H4         C  34  -7.843 -16.049  -5.994
  366    H5     C  34           H5         C  34  -8.218 -15.147  -8.193
  367    H6     C  34           H6         C  34  -7.302 -13.723  -9.964
  368   1H5*    C  35          1H5*        C  35   0.234 -15.110 -13.254
  369   2H5*    C  35          2H5*        C  35  -0.634 -16.384 -12.373
  370    H4*    C  35           H4*        C  35   1.330 -14.366 -11.394
  371    H3*    C  35           H3*        C  35   0.761 -17.274 -10.950
  372    H2*    C  35           H2*        C  35   1.203 -17.200  -8.675
  373   2HO*    C  35          2HO*        C  35   2.617 -14.755  -9.020
  374    H1*    C  35           H1*        C  35   0.494 -14.566  -8.099
  375   1H4     C  35          1H4         C  35  -4.196 -18.267  -5.839
  376   2H4     C  35          2H4         C  35  -5.002 -18.156  -7.388
  377    H5     C  35           H5         C  35  -4.024 -17.098  -9.310
  378    H6     C  35           H6         C  35  -2.060 -15.917 -10.177
  379   1H5*    U  36          1H5*        U  36   5.127 -19.808 -10.129
  380   2H5*    U  36          2H5*        U  36   3.411 -20.075  -9.759
  381    H4*    U  36           H4*        U  36   5.538 -18.995  -7.880
  382    H3*    U  36           H3*        U  36   4.185 -21.662  -8.148
  383    H2*    U  36           H2*        U  36   3.693 -21.807  -5.885
  384   2HO*    U  36          2HO*        U  36   4.939 -20.765  -4.302
  385    H1*    U  36           H1*        U  36   3.529 -19.076  -5.247
  386    H3     U  36           H3         U  36  -0.410 -21.155  -4.095
  387    H5     U  36           H5         U  36  -0.758 -20.183  -8.182
  388    H6     U  36           H6         U  36   1.596 -19.595  -8.173
  389   1H5*    A  37          1H5*        A  37   7.189 -22.761  -4.995
  390   2H5*    A  37          2H5*        A  37   7.809 -24.295  -5.638
  391    H4*    A  37           H4*        A  37   6.675 -24.258  -3.290
  392    H3*    A  37           H3*        A  37   7.031 -26.334  -5.054
  393    H2*    A  37           H2*        A  37   4.953 -26.312  -6.137
  394   2HO*    A  37          2HO*        A  37   3.688 -27.865  -5.256
  395    H1*    A  37           H1*        A  37   3.392 -25.503  -3.724
  396    H8     A  37           H8         A  37   4.348 -24.346  -7.328
  397   1H6     A  37          1H6         A  37  -1.658 -23.019  -7.901
  398   2H6     A  37          2H6         A  37  -0.107 -23.047  -8.710
  399    H2     A  37           H2         A  37  -0.967 -24.524  -3.722
  400   1H5*    A  38          1H5*        A  38   8.338 -27.758  -0.387
  401   2H5*    A  38          2H5*        A  38   8.189 -29.528  -0.421
  402    H4*    A  38           H4*        A  38   7.566 -28.662   1.775
  403    H3*    A  38           H3*        A  38   5.466 -29.967   0.087
  404    H2*    A  38           H2*        A  38   3.697 -29.291   1.435
  405   2HO*    A  38          2HO*        A  38   3.832 -29.261   3.558
  406    H1*    A  38           H1*        A  38   4.686 -26.890   2.416
  407    H8     A  38           H8         A  38   5.302 -26.652  -1.226
  408   1H6     A  38          1H6         A  38  -0.687 -25.339  -1.979
  409   2H6     A  38          2H6         A  38   0.886 -25.365  -2.742
  410    H2     A  38           H2         A  38  -0.118 -26.834   2.222
  411   1H5*    G  39          1H5*        G  39   3.248 -33.420   3.205
  412   2H5*    G  39          2H5*        G  39   2.872 -33.096   1.499
  413    H4*    G  39           H4*        G  39   1.625 -31.977   3.986
  414    H3*    G  39           H3*        G  39   0.667 -33.210   1.422
  415    H2*    G  39           H2*        G  39  -1.154 -31.750   1.233
  416   2HO*    G  39          2HO*        G  39  -1.099 -31.907   3.916
  417    H1*    G  39           H1*        G  39  -0.016 -29.449   2.189
  418    H8     G  39           H8         G  39   2.718 -30.816   0.109
  419    H1     G  39           H1         G  39  -2.098 -28.619  -3.492
  420   1H2     G  39          1H2         G  39  -3.885 -28.251  -2.229
  421   2H2     G  39          2H2         G  39  -3.892 -28.545  -0.505
  422   1H5*    U  40          1H5*        U  40  -3.115 -33.532   3.945
  423   2H5*    U  40          2H5*        U  40  -3.538 -35.237   3.692
  424    H4*    U  40           H4*        U  40  -5.378 -33.612   3.154
  425    H3*    U  40           H3*        U  40  -4.345 -35.600   1.158
  426    H2*    U  40           H2*        U  40  -5.559 -34.675  -0.614
  427   2HO*    U  40          2HO*        U  40  -7.180 -33.536   1.423
  428    H1*    U  40           H1*        U  40  -5.417 -32.013   0.046
  429    H3     U  40           H3         U  40  -2.889 -32.493  -3.719
  430    H5     U  40           H5         U  40  -0.406 -33.797  -0.571
  431    H6     U  40           H6         U  40  -2.314 -33.629   0.917
  432   1H5*    C  41          1H5*        C  41  -8.088 -35.463   0.713
  433   2H5*    C  41          2H5*        C  41  -9.183 -36.854   0.854
  434    H4*    C  41           H4*        C  41  -9.657 -35.869  -1.251
  435    H3*    C  41           H3*        C  41  -7.957 -38.348  -1.474
  436    H2*    C  41           H2*        C  41  -7.659 -38.047  -3.764
  437   2HO*    C  41          2HO*        C  41  -9.698 -36.113  -3.983
  438    H1*    C  41           H1*        C  41  -7.741 -35.255  -3.861
  439   1H4     C  41          1H4         C  41  -1.589 -36.687  -4.589
  440   2H4     C  41          2H4         C  41  -1.461 -37.129  -2.902
  441    H5     C  41           H5         C  41  -3.340 -37.156  -1.397
  442    H6     C  41           H6         C  41  -5.753 -36.780  -1.188
  443   1H5*    C  42          1H5*        C  42 -10.789 -37.903  -4.255
  444   2H5*    C  42          2H5*        C  42 -12.047 -39.145  -4.415
  445    H4*    C  42           H4*        C  42 -11.477 -38.512  -6.629
  446    H3*    C  42           H3*        C  42 -10.216 -41.129  -5.819
  447    H2*    C  42           H2*        C  42  -9.042 -41.265  -7.848
  448   2HO*    C  42          2HO*        C  42  -9.615 -39.716  -9.588
  449    H1*    C  42           H1*        C  42  -8.445 -38.593  -8.166
  450   1H4     C  42          1H4         C  42  -3.182 -40.994  -5.518
  451   2H4     C  42          2H4         C  42  -3.992 -41.153  -3.978
  452    H5     C  42           H5         C  42  -6.320 -40.649  -3.653
  453    H6     C  42           H6         C  42  -8.382 -39.884  -4.731
  454   1H5*    U  43          1H5*        U  43 -10.975 -41.218  -9.674
  455   2H5*    U  43          2H5*        U  43 -11.754 -42.703 -10.256
  456    H4*    U  43           H4*        U  43  -9.620 -42.188 -11.425
  457    H3*    U  43           H3*        U  43  -9.966 -44.737  -9.894
  458    H2*    U  43           H2*        U  43  -7.727 -45.146  -9.767
  459   2HO*    U  43          2HO*        U  43  -6.402 -44.740 -11.703
  460    H1*    U  43           H1*        U  43  -6.884 -42.579 -10.964
  461    H3     U  43           H3         U  43  -3.235 -43.237  -8.441
  462    H5     U  43           H5         U  43  -6.381 -43.230  -5.629
  463    H6     U  43           H6         U  43  -7.940 -43.118  -7.485
  464    H3T    U  43           H3T        U  43 -10.878 -44.610 -11.914
  465   1H5*    G  44          1H5*        G  44  -8.025  45.869   0.239
  466   2H5*    G  44          2H5*        G  44  -8.349  44.132   0.066
  467    H4*    G  44           H4*        G  44  -7.667  45.059  -2.076
  468    H3*    G  44           H3*        G  44  -5.813  43.125  -0.730
  469    H2*    G  44           H2*        G  44  -4.071  43.492  -2.250
  470   2HO*    G  44          2HO*        G  44  -5.553  45.049  -4.037
  471    H1*    G  44           H1*        G  44  -4.352  46.178  -2.657
  472    H8     G  44           H8         G  44  -5.018  45.724   0.995
  473    H1     G  44           H1         G  44   1.210  45.220  -0.415
  474   1H2     G  44          1H2         G  44   1.483  45.094  -2.614
  475   2H2     G  44          2H2         G  44   0.137  45.132  -3.731
  476    H5T    G  44           H5T        G  44  -6.385  43.692   1.019
  477   1H5*    G  45          1H5*        G  45  -5.192  42.380  -4.196
  478   2H5*    G  45          2H5*        G  45  -5.484  40.770  -4.883
  479    H4*    G  45           H4*        G  45  -3.207  41.385  -5.353
  480    H3*    G  45           H3*        G  45  -3.494  39.285  -3.199
  481    H2*    G  45           H2*        G  45  -1.200  39.305  -2.817
  482   2HO*    G  45          2HO*        G  45   0.090  40.441  -4.678
  483    H1*    G  45           H1*        G  45  -0.679  41.966  -3.678
  484    H8     G  45           H8         G  45  -3.192  41.956  -0.885
  485    H1     G  45           H1         G  45   2.858  41.333   1.136
  486   1H2     G  45          1H2         G  45   4.182  40.893  -0.578
  487   2H2     G  45          2H2         G  45   3.588  40.774  -2.219
  488   1H5*    G  46          1H5*        G  46  -0.772  38.552  -6.178
  489   2H5*    G  46          2H5*        G  46  -0.829  37.011  -7.058
  490    H4*    G  46           H4*        G  46   1.475  37.518  -6.613
  491    H3*    G  46           H3*        G  46   0.316  35.301  -4.934
  492    H2*    G  46           H2*        G  46   2.270  35.121  -3.660
  493   2HO*    G  46          2HO*        G  46   4.122  36.602  -4.698
  494    H1*    G  46           H1*        G  46   3.011  37.788  -3.608
  495    H8     G  46           H8         G  46  -0.721  37.172  -2.979
  496    H1     G  46           H1         G  46   2.944  36.823   2.259
  497   1H2     G  46          1H2         G  46   5.093  36.905   1.682
  498   2H2     G  46          2H2         G  46   5.612  37.042   0.019
  499   1H5*    A  47          1H5*        A  47   4.061  34.526  -5.730
  500   2H5*    A  47          2H5*        A  47   4.361  33.105  -6.751
  501    H4*    A  47           H4*        A  47   5.986  33.027  -5.018
  502    H3*    A  47           H3*        A  47   3.714  31.096  -4.582
  503    H2*    A  47           H2*        A  47   4.509  30.500  -2.472
  504   2HO*    A  47          2HO*        A  47   7.014  31.716  -2.737
  505    H1*    A  47           H1*        A  47   5.667  32.932  -1.730
  506    H8     A  47           H8         A  47   2.080  32.994  -3.139
  507   1H6     A  47          1H6         A  47   0.239  32.615   2.742
  508   2H6     A  47          2H6         A  47  -0.277  32.827   1.083
  509    H2     A  47           H2         A  47   4.711  32.167   2.664
  510   1H5*    U  48          1H5*        U  48   6.922  29.143  -3.480
  511   2H5*    U  48          2H5*        U  48   7.077  27.461  -4.029
  512    H4*    U  48           H4*        U  48   7.068  27.591  -1.579
  513    H3*    U  48           H3*        U  48   4.742  26.235  -2.932
  514    H2*    U  48           H2*        U  48   3.584  26.008  -0.934
  515   2HO*    U  48          2HO*        U  48   5.425  24.923   0.047
  516    H1*    U  48           H1*        U  48   4.702  28.197   0.475
  517    H3     U  48           H3         U  48   0.314  29.165   0.805
  518    H5     U  48           H5         U  48   1.098  29.512  -3.322
  519    H6     U  48           H6         U  48   3.341  28.686  -2.899
  520   1H5*    A  49          1H5*        A  49   8.274  23.263  -1.298
  521   2H5*    A  49          2H5*        A  49   7.803  21.552  -1.267
  522    H4*    A  49           H4*        A  49   8.536  23.283   0.919
  523    H3*    A  49           H3*        A  49   8.847  20.610   0.403
  524    H2*    A  49           H2*        A  49   6.652  19.870   0.802
  525   2HO*    A  49          2HO*        A  49   6.501  19.111   2.924
  526    H1*    A  49           H1*        A  49   6.154  21.754   3.067
  527    H8     A  49           H8         A  49   4.816  21.318  -0.576
  528   1H6     A  49          1H6         A  49  -0.697  20.622   2.134
  529   2H6     A  49          2H6         A  49   0.151  20.699   0.606
  530    H2     A  49           H2         A  49   2.378  21.144   5.366
  531   1H5*    U  50          1H5*        U  50  10.662  19.492   5.833
  532   2H5*    U  50          2H5*        U  50   9.919  18.162   4.921
  533    H4*    U  50           H4*        U  50   9.187  18.329   7.321
  534    H3*    U  50           H3*        U  50   7.588  17.687   5.140
  535    H2*    U  50           H2*        U  50   6.451  19.731   4.933
  536   2HO*    U  50          2HO*        U  50   4.516  19.642   6.159
  537    H1*    U  50           H1*        U  50   6.453  20.207   7.901
  538    H3     U  50           H3         U  50   7.983  24.729   6.816
  539    H5     U  50           H5         U  50   4.526  23.579   4.694
  540    H6     U  50           H6         U  50   4.931  21.293   5.401
  541   1H5*    G  51          1H5*        G  51   3.867  18.112   7.450
  542   2H5*    G  51          2H5*        G  51   3.811  16.447   8.062
  543    H4*    G  51           H4*        G  51   1.597  16.937   7.396
  544    H3*    G  51           H3*        G  51   3.073  15.243   5.406
  545    H2*    G  51           H2*        G  51   1.403  15.427   3.790
  546   2HO*    G  51          2HO*        G  51  -0.572  15.157   4.426
  547    H1*    G  51           H1*        G  51   0.519  17.994   4.297
  548    H8     G  51           H8         G  51   4.244  18.187   4.358
  549    H1     G  51           H1         G  51   1.941  17.654  -1.590
  550   1H2     G  51          1H2         G  51  -0.209  17.116  -1.526
  551   2H2     G  51          2H2         G  51  -1.075  16.888  -0.024
  552   1H5*    G  52          1H5*        G  52   2.772  11.032   4.831
  553   2H5*    G  52          2H5*        G  52   3.592  11.977   3.572
  554    H4*    G  52           H4*        G  52   0.713  11.150   3.780
  555    H3*    G  52           H3*        G  52   2.911  10.886   1.789
  556    H2*    G  52           H2*        G  52   1.662  11.583  -0.065
  557   2HO*    G  52          2HO*        G  52  -0.194  10.529  -0.086
  558    H1*    G  52           H1*        G  52   0.209  13.573   1.005
  559    H8     G  52           H8         G  52   3.175  14.205   3.016
  560    H1     G  52           H1         G  52   4.384  15.394  -3.159
  561   1H2     G  52          1H2         G  52   2.781  14.518  -4.421
  562   2H2     G  52          2H2         G  52   1.428  13.639  -3.748
  563   1H5*    A  53          1H5*        A  53   0.254   8.307   0.196
  564   2H5*    A  53          2H5*        A  53   0.770   6.635  -0.100
  565    H4*    A  53           H4*        A  53   0.111   7.711  -2.192
  566    H3*    A  53           H3*        A  53   3.016   7.001  -1.841
  567    H2*    A  53           H2*        A  53   3.611   8.029  -3.859
  568   2HO*    A  53          2HO*        A  53   0.891   7.629  -4.500
  569    H1*    A  53           H1*        A  53   1.871  10.168  -3.795
  570    H8     A  53           H8         A  53   3.176  10.018  -0.321
  571   1H6     A  53          1H6         A  53   8.409  12.594  -2.378
  572   2H6     A  53          2H6         A  53   7.488  12.149  -0.957
  573    H2     A  53           H2         A  53   5.981  11.341  -5.944
  574   1H5*    A  54          1H5*        A  54   2.251   5.187  -5.611
  575   2H5*    A  54          2H5*        A  54   2.877   3.526  -5.617
  576    H4*    A  54           H4*        A  54   3.842   4.978  -7.409
  577    H3*    A  54           H3*        A  54   5.664   3.756  -5.330
  578    H2*    A  54           H2*        A  54   7.510   4.822  -6.289
  579   2HO*    A  54          2HO*        A  54   7.609   4.573  -8.376
  580    H1*    A  54           H1*        A  54   6.227   7.148  -7.154
  581    H8     A  54           H8         A  54   5.336   6.451  -3.550
  582   1H6     A  54          1H6         A  54  10.625   9.277  -2.035
  583   2H6     A  54          2H6         A  54   9.130   8.604  -1.425
  584    H2     A  54           H2         A  54  10.602   8.669  -6.486
  585   1H5*    G  55          1H5*        G  55   7.124   1.852  -9.226
  586   2H5*    G  55          2H5*        G  55   7.749   0.254  -8.773
  587    H4*    G  55           H4*        G  55   9.456   1.730  -9.842
  588    H3*    G  55           H3*        G  55   9.908   0.811  -6.991
  589    H2*    G  55           H2*        G  55  11.987   1.939  -6.995
  590   2HO*    G  55          2HO*        G  55  11.964   1.292  -9.588
  591    H1*    G  55           H1*        G  55  11.159   4.163  -8.397
  592    H8     G  55           H8         G  55   8.627   2.936  -5.797
  593    H1     G  55           H1         G  55  13.221   6.696  -3.427
  594   1H2     G  55          1H2         G  55  14.743   7.109  -4.988
  595   2H2     G  55          2H2         G  55  14.630   6.455  -6.606
  596   1H5*    A  56          1H5*        A  56  13.349   0.138  -8.918
  597   2H5*    A  56          2H5*        A  56  14.019  -1.489  -8.693
  598    H4*    A  56           H4*        A  56  15.697   0.199  -8.164
  599    H3*    A  56           H3*        A  56  14.645  -1.382  -5.809
  600    H2*    A  56           H2*        A  56  15.989  -0.143  -4.365
  601   2HO*    A  56          2HO*        A  56  17.778  -0.506  -6.201
  602    H1*    A  56           H1*        A  56  16.105   2.236  -5.915
  603    H8     A  56           H8         A  56  12.576   1.128  -5.047
  604   1H6     A  56          1H6         A  56  13.261   4.296   0.211
  605   2H6     A  56          2H6         A  56  12.134   3.433  -0.811
  606    H2     A  56           H2         A  56  17.260   4.135  -1.840
  607   1H5*    A  57          1H5*        A  57  19.196  -1.718  -6.146
  608   2H5*    A  57          2H5*        A  57  19.538  -3.450  -5.958
  609    H4*    A  57           H4*        A  57  21.122  -2.264  -4.612
  610    H3*    A  57           H3*        A  57  18.916  -3.568  -3.010
  611    H2*    A  57           H2*        A  57  19.799  -2.687  -1.012
  612   2HO*    A  57          2HO*        A  57  22.154  -2.045  -2.490
  613    H1*    A  57           H1*        A  57  20.505  -0.207  -1.959
  614    H8     A  57           H8         A  57  17.181  -1.627  -3.292
  615   1H6     A  57          1H6         A  57  14.527   1.206   1.501
  616   2H6     A  57          2H6         A  57  14.254   0.288   0.039
  617    H2     A  57           H2         A  57  18.984   1.658   1.929
  618   1H5*    C  58          1H5*        C  58  22.465  -4.322  -1.016
  619   2H5*    C  58          2H5*        C  58  22.674  -6.048  -0.663
  620    H4*    C  58           H4*        C  58  23.060  -4.780   1.359
  621    H3*    C  58           H3*        C  58  20.435  -6.295   1.355
  622    H2*    C  58           H2*        C  58  19.996  -5.480   3.512
  623   2HO*    C  58          2HO*        C  58  21.739  -4.508   4.767
  624    H1*    C  58           H1*        C  58  21.251  -2.985   3.214
  625   1H4     C  58          1H4         C  58  15.034  -1.669   2.970
  626   2H4     C  58          2H4         C  58  14.899  -2.429   1.402
  627    H5     C  58           H5         C  58  16.734  -3.544   0.313
  628    H6     C  58           H6         C  58  19.091  -4.190   0.500
  629   1H5*    C  59          1H5*        C  59  21.823  -6.720   4.895
  630   2H5*    C  59          2H5*        C  59  21.622  -8.327   5.619
  631    H4*    C  59           H4*        C  59  20.407  -6.666   6.922
  632    H3*    C  59           H3*        C  59  18.676  -8.594   5.357
  633    H2*    C  59           H2*        C  59  16.766  -7.506   6.131
  634   2HO*    C  59          2HO*        C  59  16.940  -7.535   8.277
  635    H1*    C  59           H1*        C  59  17.933  -4.939   6.497
  636   1H4     C  59          1H4         C  59  13.781  -4.172   1.753
  637   2H4     C  59          2H4         C  59  14.735  -5.190   0.695
  638    H5     C  59           H5         C  59  16.748  -6.317   1.407
  639    H6     C  59           H6         C  59  18.248  -6.748   3.298
  640   1H5*    G  60          1H5*        G  60  18.081  -8.763  10.133
  641   2H5*    G  60          2H5*        G  60  17.659 -10.467  10.391
  642    H4*    G  60           H4*        G  60  16.220  -8.943  11.699
  643    H3*    G  60           H3*        G  60  14.911 -10.585   9.523
  644    H2*    G  60           H2*        G  60  12.835  -9.615  10.026
  645   2HO*    G  60          2HO*        G  60  13.322  -8.166  12.236
  646    H1*    G  60           H1*        G  60  13.758  -7.070  10.694
  647    H8     G  60           H8         G  60  15.319  -8.370   7.490
  648    H1     G  60           H1         G  60   9.541  -5.750   6.641
  649   1H2     G  60          1H2         G  60   8.586  -5.362   8.606
  650   2H2     G  60          2H2         G  60   9.368  -5.746  10.123
  651   1H5*    G  61          1H5*        G  61  12.424 -10.324  12.495
  652   2H5*    G  61          2H5*        G  61  12.210 -11.865  13.347
  653    H4*    G  61           H4*        G  61  10.039 -10.986  13.220
  654    H3*    G  61           H3*        G  61  10.479 -12.965  10.981
  655    H2*    G  61           H2*        G  61   8.382 -12.479  10.082
  656   2HO*    G  61          2HO*        G  61   6.835 -11.252  11.520
  657    H1*    G  61           H1*        G  61   8.195  -9.794  10.906
  658    H8     G  61           H8         G  61  11.353 -10.865   8.997
  659    H1     G  61           H1         G  61   6.556  -8.862   5.265
  660   1H2     G  61          1H2         G  61   4.729  -8.537   6.481
  661   2H2     G  61          2H2         G  61   4.688  -8.814   8.208
  662   1H5*    G  62          1H5*        G  62   6.476 -13.361  12.308
  663   2H5*    G  62          2H5*        G  62   6.215 -15.071  12.704
  664    H4*    G  62           H4*        G  62   4.440 -14.254  11.239
  665    H3*    G  62           H3*        G  62   6.344 -16.282  10.065
  666    H2*    G  62           H2*        G  62   5.365 -16.087   7.967
  667   2HO*    G  62          2HO*        G  62   3.032 -15.216   9.347
  668    H1*    G  62           H1*        G  62   4.352 -13.442   8.225
  669    H8     G  62           H8         G  62   8.118 -14.123   8.667
  670    H1     G  62           H1         G  62   6.354 -12.595   2.707
  671   1H2     G  62          1H2         G  62   4.141 -12.505   2.566
  672   2H2     G  62          2H2         G  62   3.100 -12.819   3.938
  673   1H5*    G  63          1H5*        G  63   5.613 -20.480   9.303
  674   2H5*    G  63          2H5*        G  63   6.997 -19.671   8.536
  675    H4*    G  63           H4*        G  63   4.093 -19.650   7.750
  676    H3*    G  63           H3*        G  63   6.688 -20.351   6.440
  677    H2*    G  63           H2*        G  63   6.194 -19.258   4.432
  678   2HO*    G  63          2HO*        G  63   4.112 -20.201   4.190
  679    H1*    G  63           H1*        G  63   4.858 -17.073   5.367
  680    H8     G  63           H8         G  63   7.486 -17.334   7.928
  681    H1     G  63           H1         G  63   9.959 -15.603   2.283
  682   1H2     G  63          1H2         G  63   8.471 -15.892   0.683
  683   2H2     G  63          2H2         G  63   6.867 -16.518   0.991
  684   1H5*    A  64          1H5*        A  64   7.759 -24.213   5.675
  685   2H5*    A  64          2H5*        A  64   8.274 -22.586   5.187
  686    H4*    A  64           H4*        A  64   8.822 -24.702   3.695
  687    H3*    A  64           H3*        A  64   8.176 -21.903   2.894
  688    H2*    A  64           H2*        A  64   7.665 -22.414   0.671
  689   2HO*    A  64          2HO*        A  64   9.639 -24.184   1.006
  690    H1*    A  64           H1*        A  64   6.483 -24.856   0.946
  691    H8     A  64           H8         A  64   5.468 -22.540   3.805
  692   1H6     A  64          1H6         A  64   0.848 -20.678   0.163
  693   2H6     A  64          2H6         A  64   1.530 -20.610   1.772
  694    H2     A  64           H2         A  64   3.578 -23.265  -2.295
  695   1H5*    A  65          1H5*        A  65  10.724 -19.296   0.160
  696   2H5*    A  65          2H5*        A  65   9.261 -19.665   1.094
  697    H4*    A  65           H4*        A  65   9.756 -20.630  -1.739
  698    H3*    A  65           H3*        A  65   8.562 -18.065  -0.768
  699    H2*    A  65           H2*        A  65   6.580 -18.308  -1.963
  700   2HO*    A  65          2HO*        A  65   7.513 -20.408  -3.579
  701    H1*    A  65           H1*        A  65   6.289 -21.048  -1.937
  702    H8     A  65           H8         A  65   7.092 -20.518   1.584
  703   1H6     A  65          1H6         A  65   1.436 -18.192   2.437
  704   2H6     A  65          2H6         A  65   2.867 -18.818   3.225
  705    H2     A  65           H2         A  65   2.219 -18.340  -1.988
  706   1H5*    A  66          1H5*        A  66   8.900 -15.535  -5.561
  707   2H5*    A  66          2H5*        A  66   8.553 -14.529  -4.141
  708    H4*    A  66           H4*        A  66   6.822 -15.229  -6.311
  709    H3*    A  66           H3*        A  66   6.692 -13.433  -3.925
  710    H2*    A  66           H2*        A  66   4.370 -13.567  -3.681
  711   2HO*    A  66          2HO*        A  66   3.860 -14.917  -6.067
  712    H1*    A  66           H1*        A  66   3.933 -16.165  -4.307
  713    H8     A  66           H8         A  66   7.243 -15.785  -2.445
  714   1H6     A  66          1H6         A  66   3.953 -16.382   2.751
  715   2H6     A  66          2H6         A  66   5.568 -16.324   2.073
  716    H2     A  66           H2         A  66   1.069 -15.994  -0.687
  717   1H5*    C  67          1H5*        C  67   4.316 -11.367  -5.979
  718   2H5*    C  67          2H5*        C  67   4.420  -9.602  -5.828
  719    H4*    C  67           H4*        C  67   2.545 -10.663  -4.528
  720    H3*    C  67           H3*        C  67   4.655  -9.011  -3.134
  721    H2*    C  67           H2*        C  67   3.656  -9.431  -1.050
  722   2HO*    C  67          2HO*        C  67   1.489 -10.439  -1.014
  723    H1*    C  67           H1*        C  67   2.871 -12.048  -1.508
  724   1H4     C  67          1H4         C  67   8.303 -12.519   1.786
  725   2H4     C  67          2H4         C  67   9.231 -12.210   0.336
  726    H5     C  67           H5         C  67   8.224 -11.652  -1.780
  727    H6     C  67           H6         C  67   6.112 -11.277  -2.966
  728   1H5*    U  68          1H5*        U  68   1.489  -7.912  -1.308
  729   2H5*    U  68          2H5*        U  68   1.112  -6.182  -1.424
  730    H4*    U  68           H4*        U  68   1.074  -6.720   0.893
  731    H3*    U  68           H3*        U  68   3.637  -5.322   0.103
  732    H2*    U  68           H2*        U  68   4.431  -5.511   2.306
  733   2HO*    U  68          2HO*        U  68   2.638  -6.348   3.891
  734    H1*    U  68           H1*        U  68   3.248  -7.970   2.927
  735    H3     U  68           H3         U  68   7.641  -8.959   3.266
  736    H5     U  68           H5         U  68   7.059  -8.375  -0.867
  737    H6     U  68           H6         U  68   4.790  -7.671  -0.382
  738   1H5*    U  69          1H5*        U  69   1.987  -3.992   3.342
  739   2H5*    U  69          2H5*        U  69   1.702  -2.279   3.707
  740    H4*    U  69           H4*        U  69   2.779  -3.195   5.619
  741    H3*    U  69           H3*        U  69   4.736  -1.657   3.894
  742    H2*    U  69           H2*        U  69   6.440  -2.183   5.406
  743   2HO*    U  69          2HO*        U  69   4.319  -2.486   7.246
  744    H1*    U  69           H1*        U  69   5.476  -4.701   6.193
  745    H3     U  69           H3         U  69   9.476  -5.838   4.452
  746    H5     U  69           H5         U  69   7.374  -4.295   1.147
  747    H6     U  69           H6         U  69   5.566  -3.706   2.649
  748   1H5*    G  70          1H5*        G  70   5.113  -0.825   7.684
  749   2H5*    G  70          2H5*        G  70   5.558   0.805   8.226
  750    H4*    G  70           H4*        G  70   7.208  -0.834   8.975
  751    H3*    G  70           H3*        G  70   8.173   1.088   6.839
  752    H2*    G  70           H2*        G  70  10.265   0.058   6.912
  753   2HO*    G  70          2HO*        G  70   9.651  -1.142   9.413
  754    H1*    G  70           H1*        G  70   9.338  -2.510   7.734
  755    H8     G  70           H8         G  70   7.998  -1.009   4.452
  756    H1     G  70           H1         G  70  13.318  -4.527   3.859
  757   1H2     G  70          1H2         G  70  14.094  -5.060   5.873
  758   2H2     G  70          2H2         G  70  13.301  -4.549   7.347
  759   1H5*    G  71          1H5*        G  71  10.638   1.485  10.996
  760   2H5*    G  71          2H5*        G  71  10.579   3.255  11.113
  761    H4*    G  71           H4*        G  71  12.762   2.832  11.747
  762    H3*    G  71           H3*        G  71  12.698   3.367   8.791
  763    H2*    G  71           H2*        G  71  14.948   2.744   8.512
  764   2HO*    G  71          2HO*        G  71  15.114   3.564  11.125
  765    H1*    G  71           H1*        G  71  15.016   0.591  10.176
  766    H8     G  71           H8         G  71  11.619   0.646   8.538
  767    H1     G  71           H1         G  71  16.181  -1.635   4.673
  768   1H2     G  71          1H2         G  71  18.175  -1.359   5.604
  769   2H2     G  71          2H2         G  71  18.389  -0.588   7.160
  770   1H5*    U  72          1H5*        U  72  15.921   5.578  10.139
  771   2H5*    U  72          2H5*        U  72  15.858   7.303   9.728
  772    H4*    U  72           H4*        U  72  17.991   6.402   9.026
  773    H3*    U  72           H3*        U  72  16.083   7.040   6.765
  774    H2*    U  72           H2*        U  72  17.667   6.284   5.210
  775   2HO*    U  72          2HO*        U  72  19.535   6.771   7.289
  776    H1*    U  72           H1*        U  72  18.809   4.263   6.779
  777    H3     U  72           H3         U  72  17.111   2.152   3.116
  778    H5     U  72           H5         U  72  13.752   2.997   5.521
  779    H6     U  72           H6         U  72  15.198   4.297   6.973
  780   1H5*    U  73          1H5*        U  73  19.581   8.380   5.753
  781   2H5*    U  73          2H5*        U  73  19.747  10.127   5.486
  782    H4*    U  73           H4*        U  73  20.842   9.125   3.652
  783    H3*    U  73           H3*        U  73  18.032   9.935   2.856
  784    H2*    U  73           H2*        U  73  18.476   9.138   0.670
  785   2HO*    U  73          2HO*        U  73  20.743   8.368   0.248
  786    H1*    U  73           H1*        U  73  19.811   6.862   1.421
  787    H3     U  73           H3         U  73  15.867   5.354  -0.189
  788    H5     U  73           H5         U  73  14.865   6.996   3.562
  789    H6     U  73           H6         U  73  17.145   7.813   3.736
  790   1H5*    C  74          1H5*        C  74  20.523  10.888  -0.106
  791   2H5*    C  74          2H5*        C  74  20.243  12.476  -0.844
  792    H4*    C  74           H4*        C  74  20.218  10.703  -2.529
  793    H3*    C  74           H3*        C  74  17.510  11.976  -2.027
  794    H2*    C  74           H2*        C  74  16.696  10.662  -3.815
  795   2HO*    C  74          2HO*        C  74  19.308  10.854  -4.671
  796    H1*    C  74           H1*        C  74  18.309   8.423  -3.294
  797   1H4     C  74          1H4         C  74  12.494   6.792  -1.307
  798   2H4     C  74          2H4         C  74  12.668   7.791   0.114
  799    H5     C  74           H5         C  74  14.607   9.165   0.532
  800    H6     C  74           H6         C  74  16.744   9.948  -0.369
  801   1H5*    U  75          1H5*        U  75  18.537  12.922  -5.793
  802   2H5*    U  75          2H5*        U  75  17.891  14.361  -6.608
  803    H4*    U  75           H4*        U  75  16.945  12.291  -7.540
  804    H3*    U  75           H3*        U  75  15.034  14.088  -6.030
  805    H2*    U  75           H2*        U  75  13.305  12.590  -6.514
  806   2HO*    U  75          2HO*        U  75  14.974  11.721  -8.649
  807    H1*    U  75           H1*        U  75  14.886  10.244  -6.570
  808    H3     U  75           H3         U  75  11.728   9.272  -3.477
  809    H5     U  75           H5         U  75  14.169  12.132  -1.580
  810    H6     U  75           H6         U  75  15.341  12.429  -3.686
  811   1H5*    U  76          1H5*        U  76  13.645  13.336  -9.961
  812   2H5*    U  76          2H5*        U  76  13.217  14.805 -10.863
  813    H4*    U  76           H4*        U  76  11.456  13.223 -11.204
  814    H3*    U  76           H3*        U  76  10.763  15.477  -9.336
  815    H2*    U  76           H2*        U  76   8.728  14.512  -8.741
  816   2HO*    U  76          2HO*        U  76   8.632  12.558 -10.709
  817    H1*    U  76           H1*        U  76   9.396  11.813  -9.003
  818    H3     U  76           H3         U  76   8.402  11.996  -4.612
  819    H5     U  76           H5         U  76  11.988  14.179  -4.917
  820    H6     U  76           H6         U  76  11.820  13.985  -7.330
  821   1H5*    C  77          1H5*        C  77   6.339  16.858 -12.012
  822   2H5*    C  77          2H5*        C  77   6.567  17.581 -10.406
  823    H4*    C  77           H4*        C  77   4.878  15.272 -11.249
  824    H3*    C  77           H3*        C  77   4.624  17.608  -9.371
  825    H2*    C  77           H2*        C  77   3.353  16.393  -7.844
  826   2HO*    C  77          2HO*        C  77   2.199  15.486  -9.982
  827    H1*    C  77           H1*        C  77   4.440  13.858  -8.255
  828   1H4     C  77          1H4         C  77   6.815  15.995  -2.734
  829   2H4     C  77          2H4         C  77   8.118  16.772  -3.604
  830    H5     C  77           H5         C  77   8.232  16.860  -6.007
  831    H6     C  77           H6         C  77   7.120  16.225  -8.098
  832   1H5*    C  78          1H5*        C  78  -0.698  16.193 -10.366
  833   2H5*    C  78          2H5*        C  78  -0.684  17.965 -10.236
  834    H4*    C  78           H4*        C  78  -2.051  16.314  -8.556
  835    H3*    C  78           H3*        C  78  -0.943  19.083  -8.166
  836    H2*    C  78           H2*        C  78  -1.163  18.981  -5.863
  837   2HO*    C  78          2HO*        C  78  -2.875  18.107  -4.897
  838    H1*    C  78           H1*        C  78  -1.098  16.161  -5.518
  839   1H4     C  78          1H4         C  78   4.207  18.253  -2.700
  840   2H4     C  78          2H4         C  78   4.937  18.571  -4.256
  841    H5     C  78           H5         C  78   3.759  18.310  -6.346
  842    H6     C  78           H6         C  78   1.629  17.691  -7.387
  843   1H5*    U  79          1H5*        U  79  -4.041  22.286  -6.934
  844   2H5*    U  79          2H5*        U  79  -2.428  22.650  -6.289
  845    H4*    U  79           H4*        U  79  -4.564  20.844  -5.149
  846    H3*    U  79           H3*        U  79  -3.156  23.332  -4.252
  847    H2*    U  79           H2*        U  79  -2.746  22.543  -2.112
  848   2HO*    U  79          2HO*        U  79  -4.747  22.076  -1.403
  849    H1*    U  79           H1*        U  79  -2.676  19.781  -2.595
  850    H3     U  79           H3         U  79   1.210  21.433  -0.612
  851    H5     U  79           H5         U  79   1.822  21.370  -4.783
  852    H6     U  79           H6         U  79  -0.551  20.945  -5.058
  853   1H5*    A  80          1H5*        A  80  -6.852  25.468  -1.105
  854   2H5*    A  80          2H5*        A  80  -5.491  26.447  -1.689
  855    H4*    A  80           H4*        A  80  -5.870  25.045   0.898
  856    H3*    A  80           H3*        A  80  -5.370  27.674   0.199
  857    H2*    A  80           H2*        A  80  -3.131  27.505  -0.447
  858   2HO*    A  80          2HO*        A  80  -1.769  27.558   1.564
  859    H1*    A  80           H1*        A  80  -2.449  25.334   1.489
  860    H8     A  80           H8         A  80  -2.840  25.525  -2.386
  861   1H6     A  80          1H6         A  80   3.177  24.139  -2.518
  862   2H6     A  80          2H6         A  80   1.752  24.450  -3.483
  863    H2     A  80           H2         A  80   1.937  24.508   1.786
  864   1H5*    A  81          1H5*        A  81  -7.942  26.852   4.804
  865   2H5*    A  81          2H5*        A  81  -7.750  28.505   5.423
  866    H4*    A  81           H4*        A  81  -7.460  26.857   7.212
  867    H3*    A  81           H3*        A  81  -5.139  28.573   6.410
  868    H2*    A  81           H2*        A  81  -3.584  27.360   7.639
  869   2HO*    A  81          2HO*        A  81  -5.656  26.156   9.167
  870    H1*    A  81           H1*        A  81  -4.737  24.827   7.560
  871    H8     A  81           H8         A  81  -4.790  25.728   4.015
  872   1H6     A  81          1H6         A  81   1.294  24.691   3.760
  873   2H6     A  81          2H6         A  81  -0.165  24.935   2.825
  874    H2     A  81           H2         A  81   0.106  24.889   8.091
  875   1H5*    G  82          1H5*        G  82  -3.338  31.058  10.409
  876   2H5*    G  82          2H5*        G  82  -2.833  30.931   8.712
  877    H4*    G  82           H4*        G  82  -1.898  29.333  11.096
  878    H3*    G  82           H3*        G  82  -0.639  31.216   9.153
  879    H2*    G  82           H2*        G  82   1.200  29.860   8.691
  880   2HO*    G  82          2HO*        G  82   0.643  28.196  10.923
  881    H1*    G  82           H1*        G  82   0.064  27.373   8.840
  882    H8     G  82           H8         G  82  -2.552  29.242   7.026
  883    H1     G  82           H1         G  82   2.585  28.224   3.342
  884   1H2     G  82          1H2         G  82   4.290  27.551   4.586
  885   2H2     G  82          2H2         G  82   4.168  27.351   6.321
  886   1H5*    U  83          1H5*        U  83   2.306  30.978  11.496
  887   2H5*    U  83          2H5*        U  83   2.865  32.364  12.453
  888    H4*    U  83           H4*        U  83   4.735  31.774  11.166
  889    H3*    U  83           H3*        U  83   3.248  34.079   9.926
  890    H2*    U  83           H2*        U  83   4.570  34.030   7.997
  891   2HO*    U  83          2HO*        U  83   6.454  32.298   9.218
  892    H1*    U  83           H1*        U  83   4.992  31.303   7.806
  893    H3     U  83           H3         U  83   2.496  32.251   4.144
  894    H5     U  83           H5         U  83  -0.250  32.386   7.338
  895    H6     U  83           H6         U  83   1.618  32.141   8.868
  896   1H5*    C  84          1H5*        C  84   6.827  34.622   9.404
  897   2H5*    C  84          2H5*        C  84   7.776  36.022   9.946
  898    H4*    C  84           H4*        C  84   8.246  35.773   7.632
  899    H3*    C  84           H3*        C  84   6.266  37.986   8.173
  900    H2*    C  84           H2*        C  84   5.923  38.326   5.901
  901   2HO*    C  84          2HO*        C  84   8.363  36.986   5.315
  902    H1*    C  84           H1*        C  84   6.533  35.712   4.991
  903   1H4     C  84          1H4         C  84   0.302  36.355   3.946
  904   2H4     C  84          2H4         C  84  -0.027  36.322   5.664
  905    H5     C  84           H5         C  84   1.704  36.224   7.338
  906    H6     C  84           H6         C  84   4.125  36.161   7.727
  907   1H5*    C  85          1H5*        C  85   9.315  38.559   5.527
  908   2H5*    C  85          2H5*        C  85  10.392  39.958   5.711
  909    H4*    C  85           H4*        C  85  10.035  39.710   3.376
  910    H3*    C  85           H3*        C  85   8.371  41.934   4.558
  911    H2*    C  85           H2*        C  85   7.348  42.331   2.483
  912   2HO*    C  85          2HO*        C  85   8.221  41.519   0.530
  913    H1*    C  85           H1*        C  85   7.171  39.715   1.612
  914   1H4     C  85          1H4         C  85   1.407  40.938   4.015
  915   2H4     C  85          2H4         C  85   2.042  40.891   5.644
  916    H5     C  85           H5         C  85   4.376  40.597   6.144
  917    H6     C  85           H6         C  85   6.613  40.294   5.193
  918   1H5*    U  86          1H5*        U  86   9.358  42.859   0.873
  919   2H5*    U  86          2H5*        U  86  10.126  44.448   0.689
  920    H4*    U  86           H4*        U  86   8.251  44.212  -0.860
  921    H3*    U  86           H3*        U  86   7.938  46.205   1.374
  922    H2*    U  86           H2*        U  86   5.722  46.540   0.893
  923   2HO*    U  86          2HO*        U  86   5.465  47.345  -1.024
  924    H1*    U  86           H1*        U  86   5.365  44.169  -0.760
  925    H3     U  86           H3         U  86   1.454  44.093   1.456
  926    H5     U  86           H5         U  86   4.330  43.703   4.516
  927    H6     U  86           H6         U  86   6.053  44.059   2.844
  928    H3T    U  86           H3T        U  86   8.649  46.134  -1.329
  929   1HN1  NCO 101          1HN1      NCO 101 -11.256  11.522   2.613
  930   2HN1  NCO 101          2HN1      NCO 101 -10.896   9.925   2.630
  931   3HN1  NCO 101          3HN1      NCO 101 -10.031  10.969   3.549
  932   1HN2  NCO 101          1HN2      NCO 101 -11.317  12.329   6.103
  933   2HN2  NCO 101          2HN2      NCO 101 -10.066  11.541   5.400
  934   3HN2  NCO 101          3HN2      NCO 101 -10.811  10.895   6.707
  935   1HN3  NCO 101          1HN3      NCO 101 -10.597   8.608   4.418
  936   2HN3  NCO 101          2HN3      NCO 101 -10.917   8.824   6.009
  937   3HN3  NCO 101          3HN3      NCO 101 -11.993   8.036   5.058
  938   1HN4  NCO 101          1HN4      NCO 101 -13.769   8.721   3.919
  939   2HN4  NCO 101          2HN4      NCO 101 -12.958   9.320   2.629
  940   3HN4  NCO 101          3HN4      NCO 101 -14.214  10.155   3.267
  941   1HN5  NCO 101          1HN5      NCO 101 -12.931  12.840   4.999
  942   2HN5  NCO 101          2HN5      NCO 101 -14.048  12.049   4.101
  943   3HN5  NCO 101          3HN5      NCO 101 -12.660  12.568   3.407
  944   1HN6  NCO 101          1HN6      NCO 101 -13.447   9.242   6.440
  945   2HN6  NCO 101          2HN6      NCO 101 -13.116  10.752   6.982
  946   3HN6  NCO 101          3HN6      NCO 101 -14.353  10.507   5.936
  947   1HN1  NCO 102          1HN1      NCO 102  -8.235 -18.426  -2.329
  948   2HN1  NCO 102          2HN1      NCO 102  -8.086 -17.920  -0.779
  949   3HN1  NCO 102          3HN1      NCO 102  -7.178 -17.233  -1.955
  950   1HN2  NCO 102          1HN2      NCO 102  -8.955 -14.902  -4.051
  951   2HN2  NCO 102          2HN2      NCO 102  -8.031 -16.254  -4.065
  952   3HN2  NCO 102          3HN2      NCO 102  -7.628 -14.996  -3.096
  953   1HN3  NCO 102          1HN3      NCO 102  -9.165 -15.038   0.086
  954   2HN3  NCO 102          2HN3      NCO 102  -8.514 -14.176  -1.144
  955   3HN3  NCO 102          3HN3      NCO 102  -7.703 -15.457  -0.522
  956   1HN4  NCO 102          1HN4      NCO 102 -10.910 -17.952  -0.897
  957   2HN4  NCO 102          2HN4      NCO 102 -11.318 -16.453  -0.380
  958   3HN4  NCO 102          3HN4      NCO 102  -9.977 -17.185   0.210
  959   1HN5  NCO 102          1HN5      NCO 102 -11.335 -17.381  -3.289
  960   2HN5  NCO 102          2HN5      NCO 102 -10.018 -17.279  -4.257
  961   3HN5  NCO 102          3HN5      NCO 102 -10.100 -18.440  -3.105
  962   1HN6  NCO 102          1HN6      NCO 102 -10.868 -14.260  -1.608
  963   2HN6  NCO 102          2HN6      NCO 102 -10.665 -14.434  -3.224
  964   3HN6  NCO 102          3HN6      NCO 102 -11.763 -15.357  -2.434
  965   1HN1  NCO 103          1HN1      NCO 103   9.765 -10.727   1.843
  966   2HN1  NCO 103          2HN1      NCO 103   9.859 -11.009   3.455
  967   3HN1  NCO 103          3HN1      NCO 103   9.690  -9.478   2.899
  968   1HN2  NCO 103          1HN2      NCO 103  11.781 -11.522   4.716
  969   2HN2  NCO 103          2HN2      NCO 103  13.111 -10.581   4.867
  970   3HN2  NCO 103          3HN2      NCO 103  11.623  -9.931   5.072
  971   1HN3  NCO 103          1HN3      NCO 103  12.571  -8.018   3.748
  972   2HN3  NCO 103          2HN3      NCO 103  10.969  -8.099   3.417
  973   3HN3  NCO 103          3HN3      NCO 103  12.033  -7.732   2.229
  974   1HN4  NCO 103          1HN4      NCO 103  11.062  -9.360   0.528
  975   2HN4  NCO 103          2HN4      NCO 103  12.681  -9.121   0.481
  976   3HN4  NCO 103          3HN4      NCO 103  12.064 -10.611   0.194
  977   1HN5  NCO 103          1HN5      NCO 103  12.787 -12.549   2.898
  978   2HN5  NCO 103          2HN5      NCO 103  11.305 -12.508   2.206
  979   3HN5  NCO 103          3HN5      NCO 103  12.637 -12.205   1.305
  980   1HN6  NCO 103          1HN6      NCO 103  14.342  -9.583   3.452
  981   2HN6  NCO 103          2HN6      NCO 103  14.452 -10.891   2.472
  982   3HN6  NCO 103          3HN6      NCO 103  14.287  -9.395   1.826
  983   1HN1  NCO 104          1HN1      NCO 104  10.947  15.226  -1.200
  984   2HN1  NCO 104          2HN1      NCO 104  10.734  16.835  -0.980
  985   3HN1  NCO 104          3HN1      NCO 104  11.622  15.972   0.092
  986   1HN2  NCO 104          1HN2      NCO 104  10.344  15.948   2.726
  987   2HN2  NCO 104          2HN2      NCO 104  10.742  17.159   1.700
  988   3HN2  NCO 104          3HN2      NCO 104   9.292  17.174   2.461
  989   1HN3  NCO 104          1HN3      NCO 104  10.500  14.123   2.075
  990   2HN3  NCO 104          2HN3      NCO 104  10.684  13.589   0.538
  991   3HN3  NCO 104          3HN3      NCO 104   9.315  13.240   1.368
  992   1HN4  NCO 104          1HN4      NCO 104   7.436  14.570  -0.875
  993   2HN4  NCO 104          2HN4      NCO 104   8.686  15.042  -1.821
  994   3HN4  NCO 104          3HN4      NCO 104   8.792  13.656  -0.957
  995   1HN5  NCO 104          1HN5      NCO 104   9.126  17.904  -0.337
  996   2HN5  NCO 104          2HN5      NCO 104   7.774  17.620   0.540
  997   3HN5  NCO 104          3HN5      NCO 104   7.895  17.045  -0.988
  998   1HN6  NCO 104          1HN6      NCO 104   7.060  14.494   1.209
  999   2HN6  NCO 104          2HN6      NCO 104   7.040  16.058   1.692
 1000   3HN6  NCO 104          3HN6      NCO 104   7.877  14.945   2.553
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   5.816 -46.987  -5.499
    2   2H5*    G   1          2H5*        G   1   5.899 -45.214  -5.553
    3    H4*    G   1           H4*        G   1   5.462 -46.283  -7.774
    4    H3*    G   1           H3*        G   1   3.645 -44.233  -6.578
    5    H2*    G   1           H2*        G   1   1.907 -44.587  -8.101
    6   2HO*    G   1          2HO*        G   1   2.924 -46.269  -9.916
    7    H1*    G   1           H1*        G   1   2.064 -47.286  -8.431
    8    H8     G   1           H8         G   1   2.760 -46.921  -4.803
    9    H1     G   1           H1         G   1  -3.401 -45.811  -6.154
   10   1H2     G   1          1H2         G   1  -3.671 -45.603  -8.347
   11   2H2     G   1          2H2         G   1  -2.341 -45.735  -9.476
   12    H5T    G   1           H5T        G   1   3.944 -45.078  -4.602
   13   1H5*    G   2          1H5*        G   2   2.963 -43.727 -10.208
   14   2H5*    G   2          2H5*        G   2   3.343 -42.131 -10.884
   15    H4*    G   2           H4*        G   2   1.043 -42.710 -11.404
   16    H3*    G   2           H3*        G   2   1.421 -40.496  -9.389
   17    H2*    G   2           H2*        G   2  -0.870 -40.363  -9.012
   18   2HO*    G   2          2HO*        G   2  -1.632 -41.821 -11.276
   19    H1*    G   2           H1*        G   2  -1.553 -43.039  -9.644
   20    H8     G   2           H8         G   2   1.085 -42.906  -6.956
   21    H1     G   2           H1         G   2  -4.831 -41.865  -4.739
   22   1H2     G   2          1H2         G   2  -6.233 -41.569  -6.433
   23   2H2     G   2          2H2         G   2  -5.713 -41.623  -8.102
   24   1H5*    G   3          1H5*        G   3  -1.180 -39.659 -12.352
   25   2H5*    G   3          2H5*        G   3  -1.082 -38.167 -13.310
   26    H4*    G   3           H4*        G   3  -3.375 -38.482 -12.666
   27    H3*    G   3           H3*        G   3  -1.934 -36.283 -11.198
   28    H2*    G   3           H2*        G   3  -3.744 -35.911  -9.774
   29   2HO*    G   3          2HO*        G   3  -5.644 -37.449 -11.050
   30    H1*    G   3           H1*        G   3  -4.735 -38.512  -9.621
   31    H8     G   3           H8         G   3  -0.950 -38.178  -9.116
   32    H1     G   3           H1         G   3  -4.414 -37.439  -3.781
   33   1H2     G   3          1H2         G   3  -6.574 -37.349  -4.293
   34   2H2     G   3          2H2         G   3  -7.156 -37.469  -5.936
   35   1H5*    A   4          1H5*        A   4  -5.528 -35.172 -11.909
   36   2H5*    A   4          2H5*        A   4  -5.843 -33.807 -13.000
   37    H4*    A   4           H4*        A   4  -7.284 -33.440 -11.180
   38    H3*    A   4           H3*        A   4  -4.789 -31.772 -10.969
   39    H2*    A   4           H2*        A   4  -5.306 -31.063  -8.814
   40   2HO*    A   4          2HO*        A   4  -7.987 -31.902  -8.914
   41    H1*    A   4           H1*        A   4  -6.761 -33.292  -7.930
   42    H8     A   4           H8         A   4  -3.252 -33.715  -9.511
   43   1H6     A   4          1H6         A   4  -1.170 -33.768  -3.700
   44   2H6     A   4          2H6         A   4  -0.739 -33.953  -5.384
   45    H2     A   4           H2         A   4  -5.580 -32.899  -3.576
   46   1H5*    U   5          1H5*        U   5  -7.904 -29.641  -9.330
   47   2H5*    U   5          2H5*        U   5  -7.901 -27.948  -9.865
   48    H4*    U   5           H4*        U   5  -7.825 -28.188  -7.391
   49    H3*    U   5           H3*        U   5  -5.580 -26.823  -8.856
   50    H2*    U   5           H2*        U   5  -4.258 -26.689  -6.956
   51   2HO*    U   5          2HO*        U   5  -6.081 -25.633  -5.823
   52    H1*    U   5           H1*        U   5  -5.293 -28.898  -5.522
   53    H3     U   5           H3         U   5  -0.975 -30.123  -5.607
   54    H5     U   5           H5         U   5  -2.036 -30.034  -9.687
   55    H6     U   5           H6         U   5  -4.207 -29.166  -9.036
   56   1H5*    A   6          1H5*        A   6  -8.472 -23.388  -6.069
   57   2H5*    A   6          2H5*        A   6  -7.253 -22.156  -5.683
   58    H4*    A   6           H4*        A   6  -8.198 -24.458  -3.951
   59    H3*    A   6           H3*        A   6  -9.240 -21.966  -3.978
   60    H2*    A   6           H2*        A   6  -7.186 -20.790  -3.745
   61   2HO*    A   6          2HO*        A   6  -7.182 -20.869  -1.071
   62    H1*    A   6           H1*        A   6  -6.252 -22.652  -1.574
   63    H8     A   6           H8         A   6  -5.162 -21.185  -5.017
   64   1H6     A   6          1H6         A   6   0.285 -20.237  -2.246
   65   2H6     A   6          2H6         A   6  -0.613 -20.061  -3.734
   66    H2     A   6           H2         A   6  -2.479 -22.141   0.733
   67   1H5*    U   7          1H5*        U   7  -6.186 -23.487   0.655
   68   2H5*    U   7          2H5*        U   7  -7.692 -23.040   1.479
   69    H4*    U   7           H4*        U   7  -5.319 -21.907   2.034
   70    H3*    U   7           H3*        U   7  -7.964 -21.268   2.722
   71    H2*    U   7           H2*        U   7  -8.263 -19.598   1.078
   72   2HO*    U   7          2HO*        U   7  -8.158 -17.708   2.127
   73    H1*    U   7           H1*        U   7  -5.377 -18.780   1.435
   74    H3     U   7           H3         U   7  -7.510 -15.620  -1.378
   75    H5     U   7           H5         U   7  -5.940 -18.763  -3.707
   76    H6     U   7           H6         U   7  -5.619 -20.026  -1.666
   77   1H5*    G   8          1H5*        G   8  -4.120 -17.685   4.449
   78   2H5*    G   8          2H5*        G   8  -4.939 -16.767   3.170
   79    H4*    G   8           H4*        G   8  -2.132 -17.023   3.679
   80    H3*    G   8           H3*        G   8  -3.856 -15.489   1.753
   81    H2*    G   8           H2*        G   8  -2.156 -15.264   0.196
   82   2HO*    G   8          2HO*        G   8  -0.190 -15.785   2.179
   83    H1*    G   8           H1*        G   8  -0.600 -17.527   0.861
   84    H8     G   8           H8         G   8  -3.694 -19.171   0.122
   85    H1     G   8           H1         G   8  -1.397 -16.524  -5.221
   86   1H2     G   8          1H2         G   8   0.187 -15.061  -4.738
   87   2H2     G   8          2H2         G   8   0.684 -14.722  -3.096
   88   1H5*    G   9          1H5*        G   9  -4.169 -11.656   0.834
   89   2H5*    G   9          2H5*        G   9  -3.922 -13.412   0.911
   90    H4*    G   9           H4*        G   9  -1.370 -12.056   0.848
   91    H3*    G   9           H3*        G   9  -3.389 -11.055  -1.121
   92    H2*    G   9           H2*        G   9  -2.094 -11.567  -2.997
   93   2HO*    G   9          2HO*        G   9  -0.097 -10.929  -2.842
   94    H1*    G   9           H1*        G   9  -0.918 -13.887  -2.184
   95    H8     G   9           H8         G   9  -4.171 -14.683  -0.864
   96    H1     G   9           H1         G   9  -4.493 -14.288  -7.243
   97   1H2     G   9          1H2         G   9  -2.696 -13.235  -8.034
   98   2H2     G   9          2H2         G   9  -1.413 -12.654  -6.996
   99   1H5*    A  10          1H5*        A  10  -0.164  -8.866  -1.969
  100   2H5*    A  10          2H5*        A  10  -0.070  -7.201  -1.357
  101    H4*    A  10           H4*        A  10   0.650  -6.916  -3.534
  102    H3*    A  10           H3*        A  10  -2.307  -6.427  -3.405
  103    H2*    A  10           H2*        A  10  -2.554  -6.391  -5.737
  104   2HO*    A  10          2HO*        A  10   0.187  -5.759  -5.686
  105    H1*    A  10           H1*        A  10  -0.814  -8.375  -6.423
  106    H8     A  10           H8         A  10  -2.537  -9.430  -3.224
  107   1H6     A  10          1H6         A  10  -7.212 -11.407  -6.742
  108   2H6     A  10          2H6         A  10  -6.537 -11.381  -5.128
  109    H2     A  10           H2         A  10  -4.396  -9.089  -9.367
  110   1H5*    A  11          1H5*        A  11  -0.934  -3.328  -5.839
  111   2H5*    A  11          2H5*        A  11  -1.727  -1.771  -5.525
  112    H4*    A  11           H4*        A  11  -2.078  -2.647  -7.845
  113    H3*    A  11           H3*        A  11  -4.465  -2.189  -6.041
  114    H2*    A  11           H2*        A  11  -5.899  -2.928  -7.753
  115   2HO*    A  11          2HO*        A  11  -4.820  -3.288  -9.941
  116    H1*    A  11           H1*        A  11  -4.256  -4.913  -8.791
  117    H8     A  11           H8         A  11  -4.231  -5.175  -5.027
  118   1H6     A  11          1H6         A  11  -9.528  -8.327  -5.526
  119   2H6     A  11          2H6         A  11  -8.246  -7.833  -4.442
  120    H2     A  11           H2         A  11  -8.573  -6.569  -9.551
  121   1H5*    G  12          1H5*        G  12  -5.515   0.735  -9.258
  122   2H5*    G  12          2H5*        G  12  -6.034   2.189  -8.381
  123    H4*    G  12           H4*        G  12  -7.793   1.344  -9.890
  124    H3*    G  12           H3*        G  12  -8.329   1.270  -6.916
  125    H2*    G  12           H2*        G  12 -10.421   0.269  -7.289
  126   2HO*    G  12          2HO*        G  12 -10.190   1.535  -9.779
  127    H1*    G  12           H1*        G  12  -9.732  -1.285  -9.484
  128    H8     G  12           H8         G  12  -7.156  -1.504  -6.686
  129    H1     G  12           H1         G  12 -12.235  -5.304  -5.851
  130   1H2     G  12          1H2         G  12 -13.790  -4.833  -7.364
  131   2H2     G  12          2H2         G  12 -13.577  -3.584  -8.568
  132   1H5*    A  13          1H5*        A  13 -11.627   2.919  -8.796
  133   2H5*    A  13          2H5*        A  13 -12.203   4.432  -8.069
  134    H4*    A  13           H4*        A  13 -14.063   2.900  -8.307
  135    H3*    A  13           H3*        A  13 -13.134   3.370  -5.472
  136    H2*    A  13           H2*        A  13 -14.713   1.841  -4.662
  137   2HO*    A  13          2HO*        A  13 -16.128   2.721  -6.834
  138    H1*    A  13           H1*        A  13 -14.671   0.046  -6.790
  139    H8     A  13           H8         A  13 -11.241   1.181  -5.474
  140   1H6     A  13          1H6         A  13 -11.547  -3.759  -1.774
  141   2H6     A  13          2H6         A  13 -10.535  -2.452  -2.345
  142    H2     A  13           H2         A  13 -15.507  -3.342  -3.855
  143   1H5*    A  14          1H5*        A  14 -17.452   3.652  -5.528
  144   2H5*    A  14          2H5*        A  14 -17.915   5.167  -4.726
  145    H4*    A  14           H4*        A  14 -19.216   3.320  -3.821
  146    H3*    A  14           H3*        A  14 -17.164   4.535  -1.971
  147    H2*    A  14           H2*        A  14 -17.602   2.944  -0.336
  148   2HO*    A  14          2HO*        A  14 -19.573   2.194   0.065
  149    H1*    A  14           H1*        A  14 -18.439   0.830  -2.017
  150    H8     A  14           H8         A  14 -15.010   2.498  -2.594
  151   1H6     A  14          1H6         A  14 -12.744  -1.975   1.012
  152   2H6     A  14          2H6         A  14 -12.346  -0.618  -0.017
  153    H2     A  14           H2         A  14 -17.229  -2.315   1.034
  154   1H5*    C  15          1H5*        C  15 -21.251   3.960  -0.070
  155   2H5*    C  15          2H5*        C  15 -21.601   5.488   0.764
  156    H4*    C  15           H4*        C  15 -22.191   3.713   2.256
  157    H3*    C  15           H3*        C  15 -19.603   5.083   2.996
  158    H2*    C  15           H2*        C  15 -19.272   3.592   4.772
  159   2HO*    C  15          2HO*        C  15 -21.978   3.666   4.858
  160    H1*    C  15           H1*        C  15 -20.371   1.314   3.607
  161   1H4     C  15          1H4         C  15 -14.119   0.406   2.950
  162   2H4     C  15          2H4         C  15 -13.995   1.752   1.842
  163    H5     C  15           H5         C  15 -15.861   3.162   1.263
  164    H6     C  15           H6         C  15 -18.245   3.597   1.638
  165   1H5*    C  16          1H5*        C  16 -21.371   4.774   6.664
  166   2H5*    C  16          2H5*        C  16 -21.172   6.283   7.578
  167    H4*    C  16           H4*        C  16 -20.097   4.450   8.764
  168    H3*    C  16           H3*        C  16 -18.236   6.492   7.538
  169    H2*    C  16           H2*        C  16 -16.375   5.281   8.277
  170   2HO*    C  16          2HO*        C  16 -18.093   3.868  10.059
  171    H1*    C  16           H1*        C  16 -17.472   2.712   8.073
  172   1H4     C  16          1H4         C  16 -13.554   3.079   3.094
  173   2H4     C  16          2H4         C  16 -14.528   4.332   2.358
  174    H5     C  16           H5         C  16 -16.492   5.264   3.402
  175    H6     C  16           H6         C  16 -17.923   5.219   5.393
  176   1H5*    G  17          1H5*        G  17 -17.863   5.849  12.229
  177   2H5*    G  17          2H5*        G  17 -17.612   7.500  12.829
  178    H4*    G  17           H4*        G  17 -16.182   5.966  14.051
  179    H3*    G  17           H3*        G  17 -14.786   7.857  12.161
  180    H2*    G  17           H2*        G  17 -12.703   6.873  12.610
  181   2HO*    G  17          2HO*        G  17 -12.809   5.176  14.472
  182    H1*    G  17           H1*        G  17 -13.516   4.247  12.829
  183    H8     G  17           H8         G  17 -15.227   6.062   9.949
  184    H1     G  17           H1         G  17  -9.462   3.721   8.456
  185   1H2     G  17          1H2         G  17  -8.445   2.972  10.288
  186   2H2     G  17          2H2         G  17  -9.182   3.057  11.872
  187   1H5*    G  18          1H5*        G  18 -12.249   7.570  15.215
  188   2H5*    G  18          2H5*        G  18 -11.955   9.153  15.963
  189    H4*    G  18           H4*        G  18  -9.834   8.074  15.477
  190    H3*    G  18           H3*        G  18 -10.505  10.460  13.749
  191    H2*    G  18           H2*        G  18  -8.579  10.139  12.484
  192   2HO*    G  18          2HO*        G  18  -7.402   8.464  14.436
  193    H1*    G  18           H1*        G  18  -8.312   7.336  12.871
  194    H8     G  18           H8         G  18 -11.653   8.373  11.395
  195    H1     G  18           H1         G  18  -6.991   7.823   7.044
  196   1H2     G  18          1H2         G  18  -5.036   7.550   8.056
  197   2H2     G  18          2H2         G  18  -4.877   7.507   9.797
  198   1H5*    G  19          1H5*        G  19  -6.575  10.323  14.791
  199   2H5*    G  19          2H5*        G  19  -6.066  11.725  15.752
  200    H4*    G  19           H4*        G  19  -4.318  11.284  14.188
  201    H3*    G  19           H3*        G  19  -6.017  13.660  13.430
  202    H2*    G  19           H2*        G  19  -4.879  13.910  11.413
  203   2HO*    G  19          2HO*        G  19  -2.777  12.974  12.930
  204    H1*    G  19           H1*        G  19  -4.165  11.211  10.997
  205    H8     G  19           H8         G  19  -7.845  12.184  11.654
  206    H1     G  19           H1         G  19  -6.193  11.882   5.475
  207   1H2     G  19          1H2         G  19  -4.007  11.539   5.288
  208   2H2     G  19          2H2         G  19  -2.959  11.386   6.680
  209   1H5*    G  20          1H5*        G  20  -4.335  17.761  13.863
  210   2H5*    G  20          2H5*        G  20  -5.839  17.732  12.922
  211    H4*    G  20           H4*        G  20  -3.034  17.395  12.051
  212    H3*    G  20           H3*        G  20  -5.579  18.496  10.902
  213    H2*    G  20           H2*        G  20  -5.062  17.834   8.715
  214   2HO*    G  20          2HO*        G  20  -2.641  16.858   8.708
  215    H1*    G  20           H1*        G  20  -3.922  15.413   9.208
  216    H8     G  20           H8         G  20  -6.576  15.271  11.728
  217    H1     G  20           H1         G  20  -9.078  15.180   5.836
  218   1H2     G  20          1H2         G  20  -7.538  15.707   4.350
  219   2H2     G  20          2H2         G  20  -5.893  16.097   4.796
  220   1H5*    A  21          1H5*        A  21  -6.462  22.435  11.071
  221   2H5*    A  21          2H5*        A  21  -7.205  21.072  10.209
  222    H4*    A  21           H4*        A  21  -7.511  23.519   9.315
  223    H3*    A  21           H3*        A  21  -7.085  20.998   7.772
  224    H2*    A  21           H2*        A  21  -6.528  22.062   5.767
  225   2HO*    A  21          2HO*        A  21  -7.322  24.615   6.637
  226    H1*    A  21           H1*        A  21  -5.153  24.229   6.692
  227    H8     A  21           H8         A  21  -4.335  21.123   8.759
  228   1H6     A  21          1H6         A  21   0.104  20.006   4.617
  229   2H6     A  21          2H6         A  21  -0.577  19.537   6.158
  230    H2     A  21           H2         A  21  -2.400  23.400   3.068
  231   1H5*    A  22          1H5*        A  22 -10.035  19.951   4.478
  232   2H5*    A  22          2H5*        A  22  -8.751  18.773   4.809
  233    H4*    A  22           H4*        A  22  -8.820  21.053   2.915
  234    H3*    A  22           H3*        A  22  -7.772  18.271   2.948
  235    H2*    A  22           H2*        A  22  -5.696  18.741   2.045
  236   2HO*    A  22          2HO*        A  22  -5.880  21.193   1.024
  237    H1*    A  22           H1*        A  22  -5.278  21.349   2.855
  238    H8     A  22           H8         A  22  -6.258  19.910   6.053
  239   1H6     A  22          1H6         A  22  -0.772  17.100   6.389
  240   2H6     A  22          2H6         A  22  -2.205  17.569   7.277
  241    H2     A  22           H2         A  22  -1.341  18.519   2.161
  242   1H5*    A  23          1H5*        A  23  -8.114  16.484  -1.951
  243   2H5*    A  23          2H5*        A  23  -7.634  15.651  -0.460
  244    H4*    A  23           H4*        A  23  -5.984  16.679  -2.694
  245    H3*    A  23           H3*        A  23  -5.930  14.358  -0.808
  246    H2*    A  23           H2*        A  23  -3.605  14.356  -0.557
  247   2HO*    A  23          2HO*        A  23  -3.701  15.280  -3.114
  248    H1*    A  23           H1*        A  23  -3.099  17.018  -0.529
  249    H8     A  23           H8         A  23  -6.409  16.372   1.226
  250   1H6     A  23          1H6         A  23  -3.104  15.433   6.360
  251   2H6     A  23          2H6         A  23  -4.716  15.649   5.712
  252    H2     A  23           H2         A  23  -0.237  15.722   2.896
  253   1H5*    C  24          1H5*        C  24  -3.940  12.520  -3.291
  254   2H5*    C  24          2H5*        C  24  -4.320  10.812  -3.586
  255    H4*    C  24           H4*        C  24  -2.441  11.204  -1.962
  256    H3*    C  24           H3*        C  24  -4.906   9.673  -1.112
  257    H2*    C  24           H2*        C  24  -4.018   9.415   1.045
  258   2HO*    C  24          2HO*        C  24  -1.591   9.691  -0.306
  259    H1*    C  24           H1*        C  24  -2.730  11.872   1.231
  260   1H4     C  24          1H4         C  24  -8.106  12.518   4.582
  261   2H4     C  24          2H4         C  24  -9.026  12.716   3.107
  262    H5     C  24           H5         C  24  -8.053  12.519   0.908
  263    H6     C  24           H6         C  24  -6.001  12.058  -0.347
  264   1H5*    U  25          1H5*        U  25  -2.005   7.949   0.214
  265   2H5*    U  25          2H5*        U  25  -1.617   6.234  -0.026
  266    H4*    U  25           H4*        U  25  -1.584   6.709   2.340
  267    H3*    U  25           H3*        U  25  -3.955   5.082   1.413
  268    H2*    U  25           H2*        U  25  -4.867   5.110   3.558
  269   2HO*    U  25          2HO*        U  25  -2.710   5.994   5.005
  270    H1*    U  25           H1*        U  25  -3.713   7.551   4.446
  271    H3     U  25           H3         U  25  -8.166   8.080   5.203
  272    H5     U  25           H5         U  25  -7.739   8.453   1.026
  273    H6     U  25           H6         U  25  -5.429   7.764   1.265
  274   1H5*    U  26          1H5*        U  26  -2.269   3.632   4.604
  275   2H5*    U  26          2H5*        U  26  -1.450   2.056   4.595
  276    H4*    U  26           H4*        U  26  -2.544   1.896   6.604
  277    H3*    U  26           H3*        U  26  -4.497   0.915   4.522
  278    H2*    U  26           H2*        U  26  -6.198   0.783   6.107
  279   2HO*    U  26          2HO*        U  26  -5.502   0.956   8.459
  280    H1*    U  26           H1*        U  26  -5.414   2.904   7.754
  281    H3     U  26           H3         U  26  -9.393   4.510   6.413
  282    H5     U  26           H5         U  26  -7.276   4.067   2.801
  283    H6     U  26           H6         U  26  -5.454   3.086   4.064
  284   1H5*    G  27          1H5*        G  27  -4.604  -1.211   7.896
  285   2H5*    G  27          2H5*        G  27  -5.008  -2.938   7.840
  286    H4*    G  27           H4*        G  27  -6.617  -1.620   9.190
  287    H3*    G  27           H3*        G  27  -7.646  -2.959   6.677
  288    H2*    G  27           H2*        G  27  -9.761  -2.064   7.074
  289   2HO*    G  27          2HO*        G  27 -10.319  -2.680   9.048
  290    H1*    G  27           H1*        G  27  -8.915   0.238   8.512
  291    H8     G  27           H8         G  27  -7.632  -0.349   4.923
  292    H1     G  27           H1         G  27 -13.047   3.040   5.359
  293   1H2     G  27          1H2         G  27 -13.766   3.042   7.463
  294   2H2     G  27          2H2         G  27 -12.909   2.215   8.745
  295   1H5*    G  28          1H5*        G  28 -10.070  -4.762  10.308
  296   2H5*    G  28          2H5*        G  28  -9.750  -6.484  10.020
  297    H4*    G  28           H4*        G  28 -12.035  -6.443  10.497
  298    H3*    G  28           H3*        G  28 -11.573  -6.463   7.526
  299    H2*    G  28           H2*        G  28 -13.845  -6.097   7.051
  300   2HO*    G  28          2HO*        G  28 -15.281  -6.142   9.129
  301    H1*    G  28           H1*        G  28 -14.430  -4.303   9.017
  302    H8     G  28           H8         G  28 -10.916  -3.984   7.464
  303    H1     G  28           H1         G  28 -15.442  -0.547   4.515
  304   1H2     G  28          1H2         G  28 -17.429  -0.989   5.403
  305   2H2     G  28          2H2         G  28 -17.645  -2.144   6.698
  306   1H5*    U  29          1H5*        U  29 -14.997  -8.636   7.693
  307   2H5*    U  29          2H5*        U  29 -14.754 -10.175   6.845
  308    H4*    U  29           H4*        U  29 -16.648  -8.964   5.889
  309    H3*    U  29           H3*        U  29 -14.196  -9.170   4.127
  310    H2*    U  29           H2*        U  29 -15.273  -7.928   2.471
  311   2HO*    U  29          2HO*        U  29 -17.817  -8.237   3.662
  312    H1*    U  29           H1*        U  29 -16.910  -6.371   4.172
  313    H3     U  29           H3         U  29 -14.624  -3.255   1.825
  314    H5     U  29           H5         U  29 -11.690  -5.033   4.276
  315    H6     U  29           H6         U  29 -13.358  -6.642   4.990
  316   1H5*    U  30          1H5*        U  30 -17.998 -10.249   2.191
  317   2H5*    U  30          2H5*        U  30 -17.758 -11.653   1.131
  318    H4*    U  30           H4*        U  30 -19.005  -9.811   0.027
  319    H3*    U  30           H3*        U  30 -16.297 -10.563  -1.101
  320    H2*    U  30           H2*        U  30 -16.553  -8.924  -2.757
  321   2HO*    U  30          2HO*        U  30 -18.548  -8.135  -3.399
  322    H1*    U  30           H1*        U  30 -18.021  -7.083  -1.224
  323    H3     U  30           H3         U  30 -14.333  -4.734  -2.370
  324    H5     U  30           H5         U  30 -12.921  -7.559   0.425
  325    H6     U  30           H6         U  30 -15.119  -8.590   0.392
  326   1H5*    C  31          1H5*        C  31 -19.176 -10.571  -4.273
  327   2H5*    C  31          2H5*        C  31 -18.722 -11.695  -5.569
  328    H4*    C  31           H4*        C  31 -18.907  -9.284  -6.272
  329    H3*    C  31           H3*        C  31 -16.273 -10.741  -6.616
  330    H2*    C  31           H2*        C  31 -15.365  -8.801  -7.569
  331   2HO*    C  31          2HO*        C  31 -18.007  -8.364  -8.308
  332    H1*    C  31           H1*        C  31 -16.838  -6.942  -6.058
  333   1H4     C  31          1H4         C  31 -10.978  -6.674  -3.618
  334   2H4     C  31          2H4         C  31 -11.168  -8.256  -2.895
  335    H5     C  31           H5         C  31 -13.124  -9.627  -3.213
  336    H6     C  31           H6         C  31 -15.306  -9.792  -4.319
  337   1H5*    U  32          1H5*        U  32 -17.006  -9.608 -10.798
  338   2H5*    U  32          2H5*        U  32 -16.616 -11.062 -11.739
  339    H4*    U  32           H4*        U  32 -15.263  -9.154 -12.473
  340    H3*    U  32           H3*        U  32 -13.825 -11.434 -11.115
  341    H2*    U  32           H2*        U  32 -11.793 -10.288 -11.209
  342   2HO*    U  32          2HO*        U  32 -11.266  -9.271 -12.966
  343    H1*    U  32           H1*        U  32 -12.767  -7.681 -10.957
  344    H3     U  32           H3         U  32 -10.224  -7.992  -7.259
  345    H5     U  32           H5         U  32 -13.369 -10.691  -6.518
  346    H6     U  32           H6         U  32 -14.160 -10.286  -8.777
  347   1H5*    U  33          1H5*        U  33 -11.865 -10.301 -15.056
  348   2H5*    U  33          2H5*        U  33 -11.350 -11.816 -15.825
  349    H4*    U  33           H4*        U  33  -9.560 -10.084 -15.761
  350    H3*    U  33           H3*        U  33  -9.178 -12.738 -14.405
  351    H2*    U  33           H2*        U  33  -7.211 -12.080 -13.370
  352   2HO*    U  33          2HO*        U  33  -6.972 -10.226 -15.515
  353    H1*    U  33           H1*        U  33  -7.656  -9.299 -13.232
  354    H3     U  33           H3         U  33  -6.942 -10.261  -8.882
  355    H5     U  33           H5         U  33 -10.574 -12.209  -9.759
  356    H6     U  33           H6         U  33 -10.269 -11.595 -12.085
  357   1H5*    C  34          1H5*        C  34  -4.456 -14.276 -16.428
  358   2H5*    C  34          2H5*        C  34  -5.366 -14.531 -14.926
  359    H4*    C  34           H4*        C  34  -3.349 -12.312 -15.410
  360    H3*    C  34           H3*        C  34  -3.065 -15.033 -14.196
  361    H2*    C  34           H2*        C  34  -2.115 -14.265 -12.230
  362   2HO*    C  34          2HO*        C  34  -1.256 -12.037 -13.775
  363    H1*    C  34           H1*        C  34  -3.179 -11.668 -12.126
  364   1H4     C  34          1H4         C  34  -6.085 -15.022  -7.529
  365   2H4     C  34          2H4         C  34  -7.338 -15.443  -8.673
  366    H5     C  34           H5         C  34  -7.225 -14.901 -11.012
  367    H6     C  34           H6         C  34  -5.882 -13.849 -12.768
  368   1H5*    C  35          1H5*        C  35   1.572 -15.977 -13.336
  369   2H5*    C  35          2H5*        C  35   0.207 -16.557 -12.361
  370    H4*    C  35           H4*        C  35   2.089 -14.264 -11.732
  371    H3*    C  35           H3*        C  35   1.760 -17.040 -10.680
  372    H2*    C  35           H2*        C  35   1.654 -16.415  -8.453
  373   2HO*    C  35          2HO*        C  35   3.126 -15.109  -7.740
  374    H1*    C  35           H1*        C  35   0.568 -13.859  -8.667
  375   1H4     C  35          1H4         C  35  -4.027 -17.805  -6.595
  376   2H4     C  35          2H4         C  35  -4.562 -17.991  -8.250
  377    H5     C  35           H5         C  35  -3.378 -17.066 -10.133
  378    H6     C  35           H6         C  35  -1.402 -15.799 -10.838
  379   1H5*    U  36          1H5*        U  36   4.523 -19.975 -10.786
  380   2H5*    U  36          2H5*        U  36   2.792 -20.299 -10.566
  381    H4*    U  36           H4*        U  36   4.560 -18.574  -8.799
  382    H3*    U  36           H3*        U  36   3.488 -21.360  -8.541
  383    H2*    U  36           H2*        U  36   2.603 -21.018  -6.437
  384   2HO*    U  36          2HO*        U  36   4.233 -20.474  -5.184
  385    H1*    U  36           H1*        U  36   2.311 -18.197  -6.477
  386    H3     U  36           H3         U  36  -1.545 -20.496  -5.165
  387    H5     U  36           H5         U  36  -1.792 -19.796  -9.316
  388    H6     U  36           H6         U  36   0.540 -19.121  -9.276
  389   1H5*    A  37          1H5*        A  37   6.047 -24.399  -6.544
  390   2H5*    A  37          2H5*        A  37   4.515 -24.922  -7.271
  391    H4*    A  37           H4*        A  37   5.099 -24.193  -4.398
  392    H3*    A  37           H3*        A  37   4.954 -26.674  -5.562
  393    H2*    A  37           H2*        A  37   2.723 -26.689  -6.263
  394   2HO*    A  37          2HO*        A  37   1.891 -26.994  -3.621
  395    H1*    A  37           H1*        A  37   1.660 -25.085  -3.989
  396    H8     A  37           H8         A  37   2.301 -24.250  -7.738
  397   1H6     A  37          1H6         A  37  -3.849 -23.885  -8.160
  398   2H6     A  37          2H6         A  37  -2.335 -23.696  -9.014
  399    H2     A  37           H2         A  37  -2.826 -25.155  -3.972
  400   1H5*    A  38          1H5*        A  38   6.620 -26.710  -0.677
  401   2H5*    A  38          2H5*        A  38   6.880 -28.463  -0.563
  402    H4*    A  38           H4*        A  38   6.194 -27.680   1.600
  403    H3*    A  38           H3*        A  38   4.202 -29.315   0.084
  404    H2*    A  38           H2*        A  38   2.421 -28.819   1.494
  405   2HO*    A  38          2HO*        A  38   2.968 -29.243   3.496
  406    H1*    A  38           H1*        A  38   3.094 -26.262   2.306
  407    H8     A  38           H8         A  38   3.609 -26.080  -1.342
  408   1H6     A  38          1H6         A  38  -2.519 -25.752  -2.045
  409   2H6     A  38          2H6         A  38  -0.968 -25.558  -2.831
  410    H2     A  38           H2         A  38  -1.679 -26.984   2.196
  411   1H5*    G  39          1H5*        G  39   3.649 -32.062   3.774
  412   2H5*    G  39          2H5*        G  39   2.579 -33.155   2.873
  413    H4*    G  39           H4*        G  39   1.785 -31.081   4.540
  414    H3*    G  39           H3*        G  39   0.399 -32.787   2.506
  415    H2*    G  39           H2*        G  39  -1.385 -31.309   2.224
  416   2HO*    G  39          2HO*        G  39  -1.791 -31.101   4.490
  417    H1*    G  39           H1*        G  39  -0.092 -28.906   2.508
  418    H8     G  39           H8         G  39   2.287 -30.780   0.396
  419    H1     G  39           H1         G  39  -2.978 -29.165  -2.869
  420   1H2     G  39          1H2         G  39  -4.559 -28.484  -1.471
  421   2H2     G  39          2H2         G  39  -4.321 -28.428   0.262
  422   1H5*    U  40          1H5*        U  40  -2.733 -32.456   5.418
  423   2H5*    U  40          2H5*        U  40  -3.284 -34.088   5.845
  424    H4*    U  40           H4*        U  40  -5.142 -32.680   5.060
  425    H3*    U  40           H3*        U  40  -4.367 -35.115   3.486
  426    H2*    U  40           H2*        U  40  -5.793 -34.597   1.707
  427   2HO*    U  40          2HO*        U  40  -7.658 -33.564   1.955
  428    H1*    U  40           H1*        U  40  -5.575 -31.856   1.703
  429    H3     U  40           H3         U  40  -3.558 -33.235  -2.144
  430    H5     U  40           H5         U  40  -0.682 -33.870   0.873
  431    H6     U  40           H6         U  40  -2.382 -33.330   2.518
  432   1H5*    C  41          1H5*        C  41  -8.377 -35.184   3.537
  433   2H5*    C  41          2H5*        C  41  -9.158 -36.669   4.116
  434    H4*    C  41           H4*        C  41 -10.051 -36.182   1.945
  435    H3*    C  41           H3*        C  41  -8.091 -38.474   1.989
  436    H2*    C  41           H2*        C  41  -8.197 -38.697  -0.335
  437   2HO*    C  41          2HO*        C  41 -10.421 -36.994  -0.612
  438    H1*    C  41           H1*        C  41  -8.554 -36.019  -1.005
  439   1H4     C  41          1H4         C  41  -2.426 -37.160  -2.251
  440   2H4     C  41          2H4         C  41  -2.057 -37.231  -0.543
  441    H5     C  41           H5         C  41  -3.731 -37.057   1.179
  442    H6     C  41           H6         C  41  -6.123 -36.787   1.636
  443   1H5*    C  42          1H5*        C  42 -11.322 -39.067  -0.326
  444   2H5*    C  42          2H5*        C  42 -12.299 -40.526  -0.066
  445    H4*    C  42           H4*        C  42 -12.008 -40.270  -2.430
  446    H3*    C  42           H3*        C  42 -10.302 -42.457  -1.233
  447    H2*    C  42           H2*        C  42  -9.335 -42.896  -3.329
  448   2HO*    C  42          2HO*        C  42 -10.267 -41.976  -5.270
  449    H1*    C  42           H1*        C  42  -9.174 -40.296  -4.241
  450   1H4     C  42          1H4         C  42  -3.368 -41.458  -1.916
  451   2H4     C  42          2H4         C  42  -3.975 -41.393  -0.277
  452    H5     C  42           H5         C  42  -6.303 -41.101   0.258
  453    H6     C  42           H6         C  42  -8.559 -40.828  -0.660
  454   1H5*    U  43          1H5*        U  43 -11.560 -43.439  -4.794
  455   2H5*    U  43          2H5*        U  43 -12.188 -45.083  -5.027
  456    H4*    U  43           H4*        U  43 -10.326 -44.474  -6.584
  457    H3*    U  43           H3*        U  43 -10.075 -46.805  -4.707
  458    H2*    U  43           H2*        U  43  -7.826 -47.007  -5.058
  459   2HO*    U  43          2HO*        U  43  -6.952 -46.974  -7.089
  460    H1*    U  43           H1*        U  43  -7.471 -44.459  -6.460
  461    H3     U  43           H3         U  43  -3.533 -44.694  -4.275
  462    H5     U  43           H5         U  43  -6.396 -44.481  -1.184
  463    H6     U  43           H6         U  43  -8.130 -44.667  -2.872
  464    H3T    U  43           H3T        U  43 -11.386 -46.964  -6.548
  465   1H5*    G  44          1H5*        G  44  -7.884  45.071   4.747
  466   2H5*    G  44          2H5*        G  44  -8.754  43.553   4.445
  467    H4*    G  44           H4*        G  44  -8.788  44.474   2.336
  468    H3*    G  44           H3*        G  44  -6.420  42.678   2.595
  469    H2*    G  44           H2*        G  44  -5.297  43.503   0.719
  470   2HO*    G  44          2HO*        G  44  -7.666  44.835  -0.126
  471    H1*    G  44           H1*        G  44  -5.893  46.145   0.876
  472    H8     G  44           H8         G  44  -5.478  45.586   4.453
  473    H1     G  44           H1         G  44   0.121  44.934   1.418
  474   1H2     G  44          1H2         G  44  -0.215  44.738  -0.766
  475   2H2     G  44          2H2         G  44  -1.814  44.768  -1.477
  476    H5T    G  44           H5T        G  44  -6.987  42.457   4.766
  477   1H5*    G  45          1H5*        G  45  -6.899  42.423  -1.115
  478   2H5*    G  45          2H5*        G  45  -6.950  40.792  -1.817
  479    H4*    G  45           H4*        G  45  -5.045  42.153  -2.654
  480    H3*    G  45           H3*        G  45  -4.495  39.613  -1.121
  481    H2*    G  45           H2*        G  45  -2.205  40.012  -1.143
  482   2HO*    G  45          2HO*        G  45  -2.551  41.804  -3.327
  483    H1*    G  45           H1*        G  45  -2.267  42.839  -1.307
  484    H8     G  45           H8         G  45  -4.202  41.895   1.717
  485    H1     G  45           H1         G  45   2.106  41.338   2.613
  486   1H2     G  45          1H2         G  45   3.165  41.425   0.663
  487   2H2     G  45          2H2         G  45   2.318  41.628  -0.854
  488   1H5*    G  46          1H5*        G  46  -2.238  39.595  -4.328
  489   2H5*    G  46          2H5*        G  46  -2.426  38.323  -5.552
  490    H4*    G  46           H4*        G  46  -0.107  38.435  -5.200
  491    H3*    G  46           H3*        G  46  -1.327  36.185  -3.609
  492    H2*    G  46           H2*        G  46   0.688  35.744  -2.526
  493   2HO*    G  46          2HO*        G  46   2.173  37.294  -4.372
  494    H1*    G  46           H1*        G  46   1.745  38.335  -2.488
  495    H8     G  46           H8         G  46  -1.871  37.850  -1.253
  496    H1     G  46           H1         G  46   2.615  37.274   3.277
  497   1H2     G  46          1H2         G  46   4.629  37.317   2.354
  498   2H2     G  46          2H2         G  46   4.872  37.484   0.630
  499   1H5*    A  47          1H5*        A  47   2.605  35.199  -5.773
  500   2H5*    A  47          2H5*        A  47   2.394  33.555  -6.407
  501    H4*    A  47           H4*        A  47   4.573  33.904  -5.241
  502    H3*    A  47           H3*        A  47   2.623  31.835  -4.248
  503    H2*    A  47           H2*        A  47   3.956  31.342  -2.390
  504   2HO*    A  47          2HO*        A  47   6.154  31.777  -2.314
  505    H1*    A  47           H1*        A  47   4.965  33.872  -1.888
  506    H8     A  47           H8         A  47   1.198  33.617  -2.656
  507   1H6     A  47          1H6         A  47   0.427  33.161   3.450
  508   2H6     A  47          2H6         A  47  -0.377  33.311   1.905
  509    H2     A  47           H2         A  47   4.846  33.083   2.607
  510   1H5*    U  48          1H5*        U  48   6.347  29.954  -3.981
  511   2H5*    U  48          2H5*        U  48   6.220  28.252  -4.468
  512    H4*    U  48           H4*        U  48   7.001  28.598  -2.109
  513    H3*    U  48           H3*        U  48   4.558  26.977  -2.754
  514    H2*    U  48           H2*        U  48   3.932  26.772  -0.523
  515   2HO*    U  48          2HO*        U  48   6.671  27.274   0.055
  516    H1*    U  48           H1*        U  48   4.944  29.173   0.482
  517    H3     U  48           H3         U  48   0.539  29.714   1.284
  518    H5     U  48           H5         U  48   0.812  29.844  -2.920
  519    H6     U  48           H6         U  48   3.161  29.273  -2.720
  520   1H5*    A  49          1H5*        A  49   8.750  23.044  -0.549
  521   2H5*    A  49          2H5*        A  49   7.049  22.571  -0.360
  522    H4*    A  49           H4*        A  49   8.671  24.043   1.744
  523    H3*    A  49           H3*        A  49   9.071  21.387   1.165
  524    H2*    A  49           H2*        A  49   6.902  20.575   1.550
  525   2HO*    A  49          2HO*        A  49   8.393  19.835   3.298
  526    H1*    A  49           H1*        A  49   6.362  22.425   3.840
  527    H8     A  49           H8         A  49   4.989  21.964   0.219
  528   1H6     A  49          1H6         A  49  -0.446  20.974   2.986
  529   2H6     A  49          2H6         A  49   0.379  21.108   1.450
  530    H2     A  49           H2         A  49   2.643  21.595   6.186
  531   1H5*    U  50          1H5*        U  50  10.814  20.400   7.005
  532   2H5*    U  50          2H5*        U  50  10.679  19.222   5.683
  533    H4*    U  50           H4*        U  50   9.176  18.603   7.488
  534    H3*    U  50           H3*        U  50   8.274  19.013   4.835
  535    H2*    U  50           H2*        U  50   6.760  20.717   5.191
  536   2HO*    U  50          2HO*        U  50   4.993  19.441   6.748
  537    H1*    U  50           H1*        U  50   6.306  20.099   8.078
  538    H3     U  50           H3         U  50   7.641  24.810   8.756
  539    H5     U  50           H5         U  50   4.461  24.265   6.043
  540    H6     U  50           H6         U  50   4.989  21.896   6.002
  541   1H5*    G  51          1H5*        G  51   4.119  18.864   8.187
  542   2H5*    G  51          2H5*        G  51   4.207  17.237   8.895
  543    H4*    G  51           H4*        G  51   1.948  17.542   8.219
  544    H3*    G  51           H3*        G  51   3.548  15.769   6.403
  545    H2*    G  51           H2*        G  51   1.895  15.687   4.767
  546   2HO*    G  51          2HO*        G  51   0.284  15.718   6.914
  547    H1*    G  51           H1*        G  51   0.801  18.213   5.043
  548    H8     G  51           H8         G  51   4.548  18.557   5.052
  549    H1     G  51           H1         G  51   2.152  17.764  -0.828
  550   1H2     G  51          1H2         G  51   0.017  17.187  -0.709
  551   2H2     G  51          2H2         G  51  -0.821  16.996   0.812
  552   1H5*    G  52          1H5*        G  52   2.176  11.784   5.287
  553   2H5*    G  52          2H5*        G  52   2.941  13.172   4.485
  554    H4*    G  52           H4*        G  52   0.100  12.213   3.996
  555    H3*    G  52           H3*        G  52   2.675  11.591   2.579
  556    H2*    G  52           H2*        G  52   1.755  12.016   0.463
  557   2HO*    G  52          2HO*        G  52  -0.131  10.773   0.730
  558    H1*    G  52           H1*        G  52   0.165  14.152   1.074
  559    H8     G  52           H8         G  52   3.113  15.022   3.069
  560    H1     G  52           H1         G  52   4.432  15.376  -3.186
  561   1H2     G  52          1H2         G  52   2.818  14.391  -4.355
  562   2H2     G  52          2H2         G  52   1.428  13.647  -3.600
  563   1H5*    A  53          1H5*        A  53  -0.101   8.504   1.134
  564   2H5*    A  53          2H5*        A  53   0.677   6.909   1.074
  565    H4*    A  53           H4*        A  53  -0.233   7.672  -1.126
  566    H3*    A  53           H3*        A  53   2.701   7.063  -0.801
  567    H2*    A  53           H2*        A  53   3.179   7.779  -2.978
  568   2HO*    A  53          2HO*        A  53   1.462   8.056  -4.538
  569    H1*    A  53           H1*        A  53   1.357   9.850  -3.174
  570    H8     A  53           H8         A  53   2.951  10.208   0.191
  571   1H6     A  53          1H6         A  53   7.790  12.821  -2.624
  572   2H6     A  53          2H6         A  53   7.024  12.496  -1.084
  573    H2     A  53           H2         A  53   5.159  11.019  -5.789
  574   1H5*    A  54          1H5*        A  54   1.739   6.039  -4.465
  575   2H5*    A  54          2H5*        A  54   1.958   4.311  -4.808
  576    H4*    A  54           H4*        A  54   2.946   5.564  -6.608
  577    H3*    A  54           H3*        A  54   4.978   4.327  -4.738
  578    H2*    A  54           H2*        A  54   6.715   5.262  -6.015
  579   2HO*    A  54          2HO*        A  54   4.975   6.021  -8.103
  580    H1*    A  54           H1*        A  54   5.436   7.635  -6.719
  581    H8     A  54           H8         A  54   5.115   6.772  -3.010
  582   1H6     A  54          1H6         A  54  10.396   9.880  -2.220
  583   2H6     A  54          2H6         A  54   9.056   9.091  -1.418
  584    H2     A  54           H2         A  54   9.690   9.452  -6.641
  585   1H5*    G  55          1H5*        G  55   6.181   2.897  -8.614
  586   2H5*    G  55          2H5*        G  55   6.647   1.189  -8.494
  587    H4*    G  55           H4*        G  55   8.488   2.510  -9.401
  588    H3*    G  55           H3*        G  55   8.923   1.446  -6.596
  589    H2*    G  55           H2*        G  55  11.055   2.442  -6.582
  590   2HO*    G  55          2HO*        G  55  11.387   3.323  -9.088
  591    H1*    G  55           H1*        G  55  10.414   4.680  -8.124
  592    H8     G  55           H8         G  55   8.081   3.816  -5.184
  593    H1     G  55           H1         G  55  13.128   7.425  -3.645
  594   1H2     G  55          1H2         G  55  14.483   7.619  -5.391
  595   2H2     G  55          2H2         G  55  14.148   6.850  -6.924
  596   1H5*    A  56          1H5*        A  56  12.171   0.962  -8.931
  597   2H5*    A  56          2H5*        A  56  12.787  -0.700  -9.025
  598    H4*    A  56           H4*        A  56  14.672   0.725  -8.674
  599    H3*    A  56           H3*        A  56  13.842  -0.748  -6.167
  600    H2*    A  56           H2*        A  56  15.488   0.355  -4.942
  601   2HO*    A  56          2HO*        A  56  16.790   0.909  -7.417
  602    H1*    A  56           H1*        A  56  15.562   2.747  -6.443
  603    H8     A  56           H8         A  56  12.210   1.483  -5.011
  604   1H6     A  56          1H6         A  56  13.431   5.142  -0.191
  605   2H6     A  56          2H6         A  56  12.241   4.106  -0.943
  606    H2     A  56           H2         A  56  17.036   5.143  -2.877
  607   1H5*    A  57          1H5*        A  57  18.311  -1.160  -6.914
  608   2H5*    A  57          2H5*        A  57  18.648  -2.878  -6.622
  609    H4*    A  57           H4*        A  57  20.290  -1.491  -5.473
  610    H3*    A  57           H3*        A  57  18.340  -2.973  -3.700
  611    H2*    A  57           H2*        A  57  19.348  -2.037  -1.791
  612   2HO*    A  57          2HO*        A  57  21.401  -0.986  -1.916
  613    H1*    A  57           H1*        A  57  19.845   0.482  -2.817
  614    H8     A  57           H8         A  57  16.436  -1.116  -3.653
  615   1H6     A  57          1H6         A  57  14.348   1.784   1.381
  616   2H6     A  57          2H6         A  57  13.907   0.823  -0.012
  617    H2     A  57           H2         A  57  18.801   2.376   1.190
  618   1H5*    C  58          1H5*        C  58  22.438  -4.024  -2.263
  619   2H5*    C  58          2H5*        C  58  22.385  -5.720  -1.742
  620    H4*    C  58           H4*        C  58  23.211  -4.184   0.029
  621    H3*    C  58           H3*        C  58  20.638  -5.696   0.519
  622    H2*    C  58           H2*        C  58  20.428  -4.674   2.616
  623   2HO*    C  58          2HO*        C  58  22.210  -3.707   3.675
  624    H1*    C  58           H1*        C  58  21.595  -2.209   1.956
  625   1H4     C  58          1H4         C  58  15.356  -1.029   2.287
  626   2H4     C  58          2H4         C  58  15.069  -1.946   0.826
  627    H5     C  58           H5         C  58  16.806  -3.111  -0.363
  628    H6     C  58           H6         C  58  19.185  -3.701  -0.379
  629   1H5*    C  59          1H5*        C  59  22.545  -6.472   3.977
  630   2H5*    C  59          2H5*        C  59  22.292  -8.150   4.502
  631    H4*    C  59           H4*        C  59  21.317  -6.560   6.100
  632    H3*    C  59           H3*        C  59  19.397  -8.314   4.557
  633    H2*    C  59           H2*        C  59  17.581  -7.274   5.585
  634   2HO*    C  59          2HO*        C  59  19.407  -6.969   7.668
  635    H1*    C  59           H1*        C  59  18.767  -4.740   5.992
  636   1H4     C  59          1H4         C  59  14.391  -3.777   1.484
  637   2H4     C  59          2H4         C  59  15.328  -4.695   0.324
  638    H5     C  59           H5         C  59  17.394  -5.815   0.882
  639    H6     C  59           H6         C  59  18.983  -6.323   2.680
  640   1H5*    G  60          1H5*        G  60  19.134  -8.858   9.193
  641   2H5*    G  60          2H5*        G  60  18.922 -10.604   9.433
  642    H4*    G  60           H4*        G  60  17.425  -9.398  10.912
  643    H3*    G  60           H3*        G  60  16.087 -10.840   8.618
  644    H2*    G  60           H2*        G  60  13.994 -10.032   9.293
  645   2HO*    G  60          2HO*        G  60  14.124  -8.862  11.550
  646    H1*    G  60           H1*        G  60  14.808  -7.543  10.243
  647    H8     G  60           H8         G  60  16.269  -8.476   6.843
  648    H1     G  60           H1         G  60  10.478  -5.768   6.525
  649   1H2     G  60          1H2         G  60   9.619  -5.569   8.565
  650   2H2     G  60          2H2         G  60  10.468  -6.106   9.998
  651   1H5*    G  61          1H5*        G  61  13.653 -10.966  11.789
  652   2H5*    G  61          2H5*        G  61  13.467 -12.635  12.362
  653    H4*    G  61           H4*        G  61  11.289 -11.678  12.370
  654    H3*    G  61           H3*        G  61  11.745 -13.513  10.019
  655    H2*    G  61           H2*        G  61   9.686 -12.958   9.099
  656   2HO*    G  61          2HO*        G  61   7.917 -12.515  10.297
  657    H1*    G  61           H1*        G  61   9.413 -10.365  10.217
  658    H8     G  61           H8         G  61  12.532 -11.135   8.115
  659    H1     G  61           H1         G  61   7.573  -8.903   4.753
  660   1H2     G  61          1H2         G  61   5.774  -8.762   6.047
  661   2H2     G  61          2H2         G  61   5.795  -9.219   7.735
  662   1H5*    G  62          1H5*        G  62   7.826 -13.846  11.858
  663   2H5*    G  62          2H5*        G  62   7.375 -15.555  12.029
  664    H4*    G  62           H4*        G  62   5.597 -14.137  10.986
  665    H3*    G  62           H3*        G  62   6.760 -16.485   9.500
  666    H2*    G  62           H2*        G  62   5.613 -15.946   7.555
  667   2HO*    G  62          2HO*        G  62   3.666 -15.423   9.313
  668    H1*    G  62           H1*        G  62   5.318 -13.157   7.979
  669    H8     G  62           H8         G  62   8.854 -14.662   7.999
  670    H1     G  62           H1         G  62   6.846 -12.647   2.265
  671   1H2     G  62          1H2         G  62   4.701 -12.089   2.363
  672   2H2     G  62          2H2         G  62   3.766 -12.211   3.838
  673   1H5*    G  63          1H5*        G  63   4.796 -20.292   8.778
  674   2H5*    G  63          2H5*        G  63   6.271 -19.924   7.860
  675    H4*    G  63           H4*        G  63   3.421 -19.323   7.240
  676    H3*    G  63           H3*        G  63   5.849 -20.244   5.745
  677    H2*    G  63           H2*        G  63   5.363 -18.995   3.825
  678   2HO*    G  63          2HO*        G  63   3.252 -18.055   3.522
  679    H1*    G  63           H1*        G  63   4.417 -16.713   4.956
  680    H8     G  63           H8         G  63   7.090 -17.547   7.359
  681    H1     G  63           H1         G  63   9.546 -15.779   1.721
  682   1H2     G  63          1H2         G  63   7.961 -15.714   0.187
  683   2H2     G  63          2H2         G  63   6.294 -16.109   0.540
  684   1H5*    A  64          1H5*        A  64   6.524 -24.068   4.992
  685   2H5*    A  64          2H5*        A  64   6.993 -22.478   4.356
  686    H4*    A  64           H4*        A  64   7.311 -24.785   2.987
  687    H3*    A  64           H3*        A  64   7.006 -21.954   2.118
  688    H2*    A  64           H2*        A  64   6.300 -22.429  -0.052
  689   2HO*    A  64          2HO*        A  64   8.149 -24.153  -0.039
  690    H1*    A  64           H1*        A  64   4.840 -24.700   0.331
  691    H8     A  64           H8         A  64   4.287 -22.212   3.179
  692   1H6     A  64          1H6         A  64  -0.257 -19.863  -0.275
  693   2H6     A  64          2H6         A  64   0.519 -19.839   1.294
  694    H2     A  64           H2         A  64   1.982 -22.839  -2.786
  695   1H5*    A  65          1H5*        A  65   9.867 -19.946  -0.993
  696   2H5*    A  65          2H5*        A  65   8.491 -19.821   0.121
  697    H4*    A  65           H4*        A  65   8.405 -20.899  -2.718
  698    H3*    A  65           H3*        A  65   7.723 -18.220  -1.548
  699    H2*    A  65           H2*        A  65   5.644 -18.122  -2.592
  700   2HO*    A  65          2HO*        A  65   6.633 -18.663  -4.680
  701    H1*    A  65           H1*        A  65   4.989 -20.818  -2.627
  702    H8     A  65           H8         A  65   6.020 -20.454   0.857
  703   1H6     A  65          1H6         A  65   0.739 -17.473   2.018
  704   2H6     A  65          2H6         A  65   2.121 -18.281   2.725
  705    H2     A  65           H2         A  65   1.270 -17.661  -2.445
  706   1H5*    A  66          1H5*        A  66   8.232 -15.229  -6.086
  707   2H5*    A  66          2H5*        A  66   7.909 -14.530  -4.489
  708    H4*    A  66           H4*        A  66   6.137 -14.857  -6.782
  709    H3*    A  66           H3*        A  66   6.242 -13.166  -4.319
  710    H2*    A  66           H2*        A  66   3.923 -13.083  -4.017
  711   2HO*    A  66          2HO*        A  66   3.940 -13.245  -6.733
  712    H1*    A  66           H1*        A  66   3.222 -15.597  -4.721
  713    H8     A  66           H8         A  66   6.605 -15.680  -2.975
  714   1H6     A  66          1H6         A  66   3.456 -16.028   2.330
  715   2H6     A  66          2H6         A  66   5.042 -16.141   1.593
  716    H2     A  66           H2         A  66   0.524 -15.159  -0.980
  717   1H5*    C  67          1H5*        C  67   4.026 -11.285  -5.918
  718   2H5*    C  67          2H5*        C  67   3.954  -9.529  -6.162
  719    H4*    C  67           H4*        C  67   2.409 -10.089  -4.412
  720    H3*    C  67           H3*        C  67   4.939  -8.756  -3.439
  721    H2*    C  67           H2*        C  67   4.237  -8.961  -1.212
  722   2HO*    C  67          2HO*        C  67   1.661  -9.855  -1.676
  723    H1*    C  67           H1*        C  67   2.938 -11.411  -1.422
  724   1H4     C  67          1H4         C  67   8.564 -12.837   1.174
  725   2H4     C  67          2H4         C  67   9.382 -12.524  -0.341
  726    H5     C  67           H5         C  67   8.254 -11.695  -2.304
  727    H6     C  67           H6         C  67   6.101 -11.004  -3.243
  728   1H5*    U  68          1H5*        U  68   2.116  -7.447  -1.377
  729   2H5*    U  68          2H5*        U  68   1.782  -5.706  -1.322
  730    H4*    U  68           H4*        U  68   1.860  -6.488   0.937
  731    H3*    U  68           H3*        U  68   4.352  -4.971   0.136
  732    H2*    U  68           H2*        U  68   5.264  -5.337   2.272
  733   2HO*    U  68          2HO*        U  68   2.952  -6.379   3.430
  734    H1*    U  68           H1*        U  68   4.167  -7.871   2.717
  735    H3     U  68           H3         U  68   8.594  -8.756   2.731
  736    H5     U  68           H5         U  68   7.757  -7.866  -1.304
  737    H6     U  68           H6         U  68   5.506  -7.263  -0.635
  738   1H5*    U  69          1H5*        U  69   2.820  -3.924   3.519
  739   2H5*    U  69          2H5*        U  69   2.440  -2.263   4.015
  740    H4*    U  69           H4*        U  69   3.628  -3.190   5.833
  741    H3*    U  69           H3*        U  69   5.471  -1.523   4.107
  742    H2*    U  69           H2*        U  69   7.264  -2.081   5.493
  743   2HO*    U  69          2HO*        U  69   7.011  -2.716   7.634
  744    H1*    U  69           H1*        U  69   6.389  -4.646   6.247
  745    H3     U  69           H3         U  69  10.323  -5.657   4.287
  746    H5     U  69           H5         U  69   8.052  -4.024   1.137
  747    H6     U  69           H6         U  69   6.310  -3.514   2.743
  748   1H5*    G  70          1H5*        G  70   5.986  -0.908   7.898
  749   2H5*    G  70          2H5*        G  70   6.404   0.692   8.545
  750    H4*    G  70           H4*        G  70   8.137  -0.917   9.120
  751    H3*    G  70           H3*        G  70   8.954   1.126   7.035
  752    H2*    G  70           H2*        G  70  11.061   0.137   6.940
  753   2HO*    G  70          2HO*        G  70  11.125   0.252   9.382
  754    H1*    G  70           H1*        G  70  10.244  -2.487   7.677
  755    H8     G  70           H8         G  70   8.723  -0.769   4.571
  756    H1     G  70           H1         G  70  13.999  -4.223   3.467
  757   1H2     G  70          1H2         G  70  14.856  -4.923   5.394
  758   2H2     G  70          2H2         G  70  14.126  -4.543   6.937
  759   1H5*    G  71          1H5*        G  71  11.832   1.327  10.832
  760   2H5*    G  71          2H5*        G  71  11.528   3.035  11.207
  761    H4*    G  71           H4*        G  71  13.802   2.909  11.569
  762    H3*    G  71           H3*        G  71  13.305   3.803   8.757
  763    H2*    G  71           H2*        G  71  15.516   3.462   8.063
  764   2HO*    G  71          2HO*        G  71  16.770   2.840  10.382
  765    H1*    G  71           H1*        G  71  16.115   1.181   9.415
  766    H8     G  71           H8         G  71  12.483   1.246   8.212
  767    H1     G  71           H1         G  71  16.629  -0.883   3.827
  768   1H2     G  71          1H2         G  71  18.707  -0.633   4.564
  769   2H2     G  71          2H2         G  71  19.076   0.082   6.117
  770   1H5*    U  72          1H5*        U  72  16.843   5.935   9.680
  771   2H5*    U  72          2H5*        U  72  16.526   7.656   9.388
  772    H4*    U  72           H4*        U  72  18.521   6.940   8.176
  773    H3*    U  72           H3*        U  72  16.111   7.627   6.486
  774    H2*    U  72           H2*        U  72  17.288   7.073   4.541
  775   2HO*    U  72          2HO*        U  72  19.177   8.052   4.555
  776    H1*    U  72           H1*        U  72  18.838   5.000   5.593
  777    H3     U  72           H3         U  72  16.357   2.956   2.408
  778    H5     U  72           H5         U  72  13.578   3.836   5.453
  779    H6     U  72           H6         U  72  15.326   5.068   6.600
  780   1H5*    U  73          1H5*        U  73  19.804   9.657   5.080
  781   2H5*    U  73          2H5*        U  73  19.386  11.292   4.529
  782    H4*    U  73           H4*        U  73  20.725  10.045   2.861
  783    H3*    U  73           H3*        U  73  17.889  10.791   2.107
  784    H2*    U  73           H2*        U  73  18.250   9.841  -0.031
  785   2HO*    U  73          2HO*        U  73  20.238   9.476  -0.874
  786    H1*    U  73           H1*        U  73  19.616   7.619   0.824
  787    H3     U  73           H3         U  73  15.608   5.952  -0.446
  788    H5     U  73           H5         U  73  14.786   7.925   3.188
  789    H6     U  73           H6         U  73  17.063   8.763   3.170
  790   1H5*    C  74          1H5*        C  74  20.281  11.621  -0.932
  791   2H5*    C  74          2H5*        C  74  19.989  13.150  -1.787
  792    H4*    C  74           H4*        C  74  19.916  11.251  -3.333
  793    H3*    C  74           H3*        C  74  17.254  12.620  -2.845
  794    H2*    C  74           H2*        C  74  16.295  11.163  -4.426
  795   2HO*    C  74          2HO*        C  74  18.958  10.589  -5.260
  796    H1*    C  74           H1*        C  74  17.811   8.913  -3.764
  797   1H4     C  74          1H4         C  74  12.187   7.898  -0.990
  798   2H4     C  74          2H4         C  74  12.534   9.098   0.235
  799    H5     C  74           H5         C  74  14.531  10.455   0.229
  800    H6     C  74           H6         C  74  16.612  10.959  -0.968
  801   1H5*    U  75          1H5*        U  75  18.073  13.051  -6.753
  802   2H5*    U  75          2H5*        U  75  17.454  14.424  -7.696
  803    H4*    U  75           H4*        U  75  16.365  12.321  -8.350
  804    H3*    U  75           H3*        U  75  14.618  14.365  -6.966
  805    H2*    U  75           H2*        U  75  12.798  12.916  -7.155
  806   2HO*    U  75          2HO*        U  75  12.749  11.238  -8.720
  807    H1*    U  75           H1*        U  75  14.268  10.492  -7.083
  808    H3     U  75           H3         U  75  11.285   9.932  -3.750
  809    H5     U  75           H5         U  75  13.883  12.913  -2.292
  810    H6     U  75           H6         U  75  14.945  12.955  -4.475
  811   1H5*    U  76          1H5*        U  76  12.855  13.414 -10.659
  812   2H5*    U  76          2H5*        U  76  12.211  14.816 -11.533
  813    H4*    U  76           H4*        U  76  10.505  13.078 -11.288
  814    H3*    U  76           H3*        U  76  10.053  15.654  -9.779
  815    H2*    U  76           H2*        U  76   8.137  14.789  -8.790
  816   2HO*    U  76          2HO*        U  76   7.155  14.284 -10.809
  817    H1*    U  76           H1*        U  76   8.828  12.031  -8.933
  818    H3     U  76           H3         U  76   7.736  12.458  -4.588
  819    H5     U  76           H5         U  76  11.323  14.646  -4.952
  820    H6     U  76           H6         U  76  11.183  14.344  -7.357
  821   1H5*    C  77          1H5*        C  77   5.778  17.299 -12.071
  822   2H5*    C  77          2H5*        C  77   5.913  17.915 -10.410
  823    H4*    C  77           H4*        C  77   4.195  15.768 -11.520
  824    H3*    C  77           H3*        C  77   3.984  17.864  -9.374
  825    H2*    C  77           H2*        C  77   2.605  16.524  -8.038
  826   2HO*    C  77          2HO*        C  77   1.208  15.129  -8.844
  827    H1*    C  77           H1*        C  77   3.735  14.070  -8.532
  828   1H4     C  77          1H4         C  77   6.313  16.225  -3.087
  829   2H4     C  77          2H4         C  77   7.666  16.845  -4.006
  830    H5     C  77           H5         C  77   7.730  16.847  -6.420
  831    H6     C  77           H6         C  77   6.522  16.241  -8.463
  832   1H5*    C  78          1H5*        C  78  -0.868  19.166  -9.134
  833   2H5*    C  78          2H5*        C  78   0.345  19.835  -8.024
  834    H4*    C  78           H4*        C  78  -1.532  17.524  -7.645
  835    H3*    C  78           H3*        C  78  -0.760  19.987  -6.116
  836    H2*    C  78           H2*        C  78  -0.731  18.904  -4.068
  837   2HO*    C  78          2HO*        C  78  -2.165  17.384  -3.528
  838    H1*    C  78           H1*        C  78  -0.155  16.280  -4.906
  839   1H4     C  78          1H4         C  78   4.995  18.635  -1.895
  840   2H4     C  78          2H4         C  78   5.688  18.938  -3.471
  841    H5     C  78           H5         C  78   4.470  18.675  -5.522
  842    H6     C  78           H6         C  78   2.316  18.070  -6.520
  843   1H5*    U  79          1H5*        U  79  -3.379  23.337  -5.848
  844   2H5*    U  79          2H5*        U  79  -1.812  23.289  -5.015
  845    H4*    U  79           H4*        U  79  -4.299  21.670  -4.398
  846    H3*    U  79           H3*        U  79  -2.952  23.985  -3.109
  847    H2*    U  79           H2*        U  79  -2.678  23.023  -1.023
  848   2HO*    U  79          2HO*        U  79  -5.136  22.233  -1.463
  849    H1*    U  79           H1*        U  79  -2.506  20.332  -1.644
  850    H3     U  79           H3         U  79   1.366  22.030   0.315
  851    H5     U  79           H5         U  79   1.897  22.156  -3.864
  852    H6     U  79           H6         U  79  -0.464  21.656  -4.114
  853   1H5*    A  80          1H5*        A  80  -6.598  26.048  -0.621
  854   2H5*    A  80          2H5*        A  80  -5.364  27.315  -0.780
  855    H4*    A  80           H4*        A  80  -5.910  25.497   1.445
  856    H3*    A  80           H3*        A  80  -5.391  28.172   1.275
  857    H2*    A  80           H2*        A  80  -3.126  28.156   0.695
  858   2HO*    A  80          2HO*        A  80  -1.819  28.007   2.677
  859    H1*    A  80           H1*        A  80  -2.364  25.741   2.245
  860    H8     A  80           H8         A  80  -3.001  26.270  -1.556
  861   1H6     A  80          1H6         A  80   3.080  25.385  -2.163
  862   2H6     A  80          2H6         A  80   1.572  25.645  -3.010
  863    H2     A  80           H2         A  80   2.112  25.353   2.226
  864   1H5*    A  81          1H5*        A  81  -6.888  27.097   6.200
  865   2H5*    A  81          2H5*        A  81  -6.608  28.775   6.709
  866    H4*    A  81           H4*        A  81  -6.235  27.201   8.559
  867    H3*    A  81           H3*        A  81  -3.956  28.848   7.526
  868    H2*    A  81           H2*        A  81  -2.335  27.684   8.728
  869   2HO*    A  81          2HO*        A  81  -2.976  26.324  10.547
  870    H1*    A  81           H1*        A  81  -3.429  25.148   8.731
  871    H8     A  81           H8         A  81  -3.870  26.148   5.211
  872   1H6     A  81          1H6         A  81   2.159  25.160   4.308
  873   2H6     A  81          2H6         A  81   0.615  25.442   3.534
  874    H2     A  81           H2         A  81   1.409  25.153   8.739
  875   1H5*    G  82          1H5*        G  82  -1.992  31.721  11.329
  876   2H5*    G  82          2H5*        G  82  -1.762  31.614   9.572
  877    H4*    G  82           H4*        G  82  -0.387  30.050  11.762
  878    H3*    G  82           H3*        G  82   0.473  31.997   9.658
  879    H2*    G  82           H2*        G  82   2.309  30.732   8.975
  880   2HO*    G  82          2HO*        G  82   3.005  28.908  10.405
  881    H1*    G  82           H1*        G  82   1.328  28.188   9.323
  882    H8     G  82           H8         G  82  -1.541  29.881   7.731
  883    H1     G  82           H1         G  82   3.249  28.955   3.582
  884   1H2     G  82          1H2         G  82   5.100  28.413   4.670
  885   2H2     G  82          2H2         G  82   5.158  28.270   6.413
  886   1H5*    U  83          1H5*        U  83   4.368  32.133  12.063
  887   2H5*    U  83          2H5*        U  83   4.560  33.895  12.176
  888    H4*    U  83           H4*        U  83   6.490  32.691  11.100
  889    H3*    U  83           H3*        U  83   4.997  34.887   9.681
  890    H2*    U  83           H2*        U  83   6.222  34.561   7.701
  891   2HO*    U  83          2HO*        U  83   8.096  32.963   7.885
  892    H1*    U  83           H1*        U  83   6.364  31.830   7.729
  893    H3     U  83           H3         U  83   3.458  32.911   4.376
  894    H5     U  83           H5         U  83   1.170  33.120   7.908
  895    H6     U  83           H6         U  83   3.218  32.823   9.176
  896   1H5*    C  84          1H5*        C  84   8.858  35.568   9.054
  897   2H5*    C  84          2H5*        C  84   9.497  37.209   9.276
  898    H4*    C  84           H4*        C  84   9.979  36.472   7.024
  899    H3*    C  84           H3*        C  84   7.848  38.601   7.250
  900    H2*    C  84           H2*        C  84   7.533  38.568   4.919
  901   2HO*    C  84          2HO*        C  84   9.443  36.888   4.051
  902    H1*    C  84           H1*        C  84   7.840  35.856   4.522
  903   1H4     C  84          1H4         C  84   1.544  36.761   4.746
  904   2H4     C  84          2H4         C  84   1.603  36.933   6.487
  905    H5     C  84           H5         C  84   3.655  36.920   7.746
  906    H6     C  84           H6         C  84   6.098  36.753   7.609
  907   1H5*    C  85          1H5*        C  85  10.021  39.243   4.255
  908   2H5*    C  85          2H5*        C  85  10.742  40.833   3.932
  909    H4*    C  85           H4*        C  85   9.517  40.122   1.975
  910    H3*    C  85           H3*        C  85   8.228  42.358   3.545
  911    H2*    C  85           H2*        C  85   6.399  42.375   2.092
  912   2HO*    C  85          2HO*        C  85   8.032  40.952   0.239
  913    H1*    C  85           H1*        C  85   6.343  39.648   1.482
  914   1H4     C  85          1H4         C  85   1.510  40.476   5.520
  915   2H4     C  85          2H4         C  85   2.616  40.713   6.854
  916    H5     C  85           H5         C  85   5.012  40.753   6.591
  917    H6     C  85           H6         C  85   6.858  40.629   4.985
  918   1H5*    U  86          1H5*        U  86   8.044  42.792  -0.514
  919   2H5*    U  86          2H5*        U  86   8.470  44.394  -1.147
  920    H4*    U  86           H4*        U  86   6.345  43.560  -2.087
  921    H3*    U  86           H3*        U  86   6.267  46.016  -0.343
  922    H2*    U  86           H2*        U  86   3.948  46.131  -0.476
  923   2HO*    U  86          2HO*        U  86   3.047  44.497  -2.234
  924    H1*    U  86           H1*        U  86   3.409  43.395  -0.661
  925    H3     U  86           H3         U  86   1.316  44.437   3.203
  926    H5     U  86           H5         U  86   5.406  44.843   4.128
  927    H6     U  86           H6         U  86   5.908  44.477   1.784
  928    H3T    U  86           H3T        U  86   6.550  46.922  -2.222
  929   1HN1  NCO 101          1HN1      NCO 101 -11.423   8.939   4.204
  930   2HN1  NCO 101          2HN1      NCO 101 -10.269   9.877   4.893
  931   3HN1  NCO 101          3HN1      NCO 101 -11.024  10.379   3.531
  932   1HN2  NCO 101          1HN2      NCO 101 -13.532   8.836   6.671
  933   2HN2  NCO 101          2HN2      NCO 101 -12.301   9.429   7.571
  934   3HN2  NCO 101          3HN2      NCO 101 -11.982   8.480   6.276
  935   1HN3  NCO 101          1HN3      NCO 101 -13.820  10.386   3.407
  936   2HN3  NCO 101          2HN3      NCO 101 -13.813   9.019   4.306
  937   3HN3  NCO 101          3HN3      NCO 101 -14.816  10.252   4.699
  938   1HN4  NCO 101          1HN4      NCO 101 -12.701  12.097   3.398
  939   2HN4  NCO 101          2HN4      NCO 101 -13.035  13.067   4.674
  940   3HN4  NCO 101          3HN4      NCO 101 -11.482  12.697   4.310
  941   1HN5  NCO 101          1HN5      NCO 101 -10.853  12.444   6.280
  942   2HN5  NCO 101          2HN5      NCO 101 -10.300  10.934   6.592
  943   3HN5  NCO 101          3HN5      NCO 101 -11.430  11.610   7.566
  944   1HN6  NCO 101          1HN6      NCO 101 -13.928  12.625   6.390
  945   2HN6  NCO 101          2HN6      NCO 101 -14.795  11.235   6.387
  946   3HN6  NCO 101          3HN6      NCO 101 -13.690  11.508   7.564
  947   1HN1  NCO 102          1HN1      NCO 102  -8.115 -13.567  -3.143
  948   2HN1  NCO 102          2HN1      NCO 102  -8.287 -14.949  -4.006
  949   3HN1  NCO 102          3HN1      NCO 102  -9.336 -14.603  -2.797
  950   1HN2  NCO 102          1HN2      NCO 102 -10.032 -11.519  -3.042
  951   2HN2  NCO 102          2HN2      NCO 102 -11.545 -11.791  -3.603
  952   3HN2  NCO 102          3HN2      NCO 102 -10.865 -12.837  -2.543
  953   1HN3  NCO 102          1HN3      NCO 102 -11.723 -14.543  -3.636
  954   2HN3  NCO 102          2HN3      NCO 102 -12.044 -14.532  -5.242
  955   3HN3  NCO 102          3HN3      NCO 102 -10.912 -15.550  -4.641
  956   1HN4  NCO 102          1HN4      NCO 102  -8.439 -14.884  -5.939
  957   2HN4  NCO 102          2HN4      NCO 102  -8.837 -13.696  -6.994
  958   3HN4  NCO 102          3HN4      NCO 102  -9.900 -14.902  -6.679
  959   1HN5  NCO 102          1HN5      NCO 102  -8.823 -11.057  -4.620
  960   2HN5  NCO 102          2HN5      NCO 102  -7.691 -12.240  -4.648
  961   3HN5  NCO 102          3HN5      NCO 102  -8.399 -11.753  -6.042
  962   1HN6  NCO 102          1HN6      NCO 102 -12.003 -12.115  -5.615
  963   2HN6  NCO 102          2HN6      NCO 102 -11.292 -12.885  -6.873
  964   3HN6  NCO 102          3HN6      NCO 102 -10.697 -11.453  -6.347
  965   1HN1  NCO 103          1HN1      NCO 103  13.772  -8.750   2.633
  966   2HN1  NCO 103          2HN1      NCO 103  13.615 -10.045   3.624
  967   3HN1  NCO 103          3HN1      NCO 103  12.283  -9.263   3.082
  968   1HN2  NCO 103          1HN2      NCO 103  14.355  -8.898   0.131
  969   2HN2  NCO 103          2HN2      NCO 103  12.817  -8.428   0.439
  970   3HN2  NCO 103          3HN2      NCO 103  13.134  -9.415  -0.828
  971   1HN3  NCO 103          1HN3      NCO 103  10.897  -9.957   1.971
  972   2HN3  NCO 103          2HN3      NCO 103  10.951 -10.053   0.337
  973   3HN3  NCO 103          3HN3      NCO 103  10.749 -11.410   1.230
  974   1HN4  NCO 103          1HN4      NCO 103  12.153 -12.862   2.105
  975   2HN4  NCO 103          2HN4      NCO 103  12.689 -11.982   3.377
  976   3HN4  NCO 103          3HN4      NCO 103  13.748 -12.839   2.470
  977   1HN5  NCO 103          1HN5      NCO 103  15.348 -11.875   1.020
  978   2HN5  NCO 103          2HN5      NCO 103  15.385 -10.908   2.341
  979   3HN5  NCO 103          3HN5      NCO 103  15.543 -10.259   0.846
  980   1HN6  NCO 103          1HN6      NCO 103  13.974 -12.324  -0.471
  981   2HN6  NCO 103          2HN6      NCO 103  12.394 -12.636  -0.166
  982   3HN6  NCO 103          3HN6      NCO 103  12.811 -11.368  -1.115
  983   1HN1  NCO 104          1HN1      NCO 104   6.975  16.427   0.012
  984   2HN1  NCO 104          2HN1      NCO 104   7.759  17.784   0.483
  985   3HN1  NCO 104          3HN1      NCO 104   7.575  17.457  -1.111
  986   1HN2  NCO 104          1HN2      NCO 104   8.315  15.804   2.009
  987   2HN2  NCO 104          2HN2      NCO 104   9.776  15.067   2.063
  988   3HN2  NCO 104          3HN2      NCO 104   9.675  16.695   2.201
  989   1HN3  NCO 104          1HN3      NCO 104  11.344  17.669  -0.279
  990   2HN3  NCO 104          2HN3      NCO 104  10.396  18.021   1.008
  991   3HN3  NCO 104          3HN3      NCO 104   9.941  18.487  -0.494
  992   1HN4  NCO 104          1HN4      NCO 104   9.022  15.553  -2.584
  993   2HN4  NCO 104          2HN4      NCO 104   9.222  17.168  -2.407
  994   3HN4  NCO 104          3HN4      NCO 104  10.526  16.179  -2.425
  995   1HN5  NCO 104          1HN5      NCO 104   7.911  14.437  -1.275
  996   2HN5  NCO 104          2HN5      NCO 104   7.846  14.246   0.351
  997   3HN5  NCO 104          3HN5      NCO 104   9.102  13.627  -0.496
  998   1HN6  NCO 104          1HN6      NCO 104  11.192  14.536   0.681
  999   2HN6  NCO 104          2HN6      NCO 104  11.907  15.752  -0.150
 1000   3HN6  NCO 104          3HN6      NCO 104  11.220  14.503  -0.955
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   7.766 -45.402  -6.592
    2   2H5*    G   1          2H5*        G   1   8.730 -43.918  -6.736
    3    H4*    G   1           H4*        G   1   8.023 -44.116  -8.907
    4    H3*    G   1           H3*        G   1   6.068 -42.435  -7.417
    5    H2*    G   1           H2*        G   1   4.332 -42.643  -8.962
    6   2HO*    G   1          2HO*        G   1   5.034 -43.710 -11.124
    7    H1*    G   1           H1*        G   1   4.662 -45.210  -9.798
    8    H8     G   1           H8         G   1   5.438 -45.312  -6.133
    9    H1     G   1           H1         G   1  -0.850 -44.892  -7.275
   10   1H2     G   1          1H2         G   1  -1.203 -44.437  -9.420
   11   2H2     G   1          2H2         G   1   0.102 -44.230 -10.566
   12    H5T    G   1           H5T        G   1   7.035 -42.752  -5.900
   13   1H5*    G   2          1H5*        G   2   5.416 -41.371 -10.908
   14   2H5*    G   2          2H5*        G   2   5.547 -39.649 -11.318
   15    H4*    G   2           H4*        G   2   3.327 -40.507 -11.884
   16    H3*    G   2           H3*        G   2   3.488 -38.504  -9.631
   17    H2*    G   2           H2*        G   2   1.217 -38.727  -9.193
   18   2HO*    G   2          2HO*        G   2  -0.161 -39.697 -10.948
   19    H1*    G   2           H1*        G   2   0.869 -41.372 -10.176
   20    H8     G   2           H8         G   2   3.482 -41.271  -7.470
   21    H1     G   2           H1         G   2  -2.512 -41.321  -5.202
   22   1H2     G   2          1H2         G   2  -3.944 -40.946  -6.847
   23   2H2     G   2          2H2         G   2  -3.431 -40.692  -8.500
   24   1H5*    G   3          1H5*        G   3   0.679 -37.734 -12.428
   25   2H5*    G   3          2H5*        G   3   0.541 -36.141 -13.198
   26    H4*    G   3           H4*        G   3  -1.666 -36.866 -12.571
   27    H3*    G   3           H3*        G   3  -0.524 -34.656 -10.869
   28    H2*    G   3           H2*        G   3  -2.356 -34.713  -9.426
   29   2HO*    G   3          2HO*        G   3  -4.287 -36.048 -10.268
   30    H1*    G   3           H1*        G   3  -2.970 -37.434  -9.608
   31    H8     G   3           H8         G   3   0.713 -36.603  -8.939
   32    H1     G   3           H1         G   3  -2.906 -37.010  -3.672
   33   1H2     G   3          1H2         G   3  -5.046 -37.209  -4.242
   34   2H2     G   3          2H2         G   3  -5.576 -37.237  -5.907
   35   1H5*    A   4          1H5*        A   4  -4.540 -33.698 -11.902
   36   2H5*    A   4          2H5*        A   4  -4.693 -32.033 -12.500
   37    H4*    A   4           H4*        A   4  -6.346 -32.484 -10.753
   38    H3*    A   4           H3*        A   4  -4.172 -30.490 -10.146
   39    H2*    A   4           H2*        A   4  -4.868 -30.260  -7.934
   40   2HO*    A   4          2HO*        A   4  -7.308 -30.613  -9.059
   41    H1*    A   4           H1*        A   4  -5.840 -32.841  -7.500
   42    H8     A   4           H8         A   4  -2.350 -32.543  -9.084
   43   1H6     A   4          1H6         A   4  -0.185 -32.769  -3.305
   44   2H6     A   4          2H6         A   4   0.240 -32.763  -5.002
   45    H2     A   4           H2         A   4  -4.670 -32.517  -3.092
   46   1H5*    U   5          1H5*        U   5  -7.393 -28.832  -8.446
   47   2H5*    U   5          2H5*        U   5  -7.603 -27.125  -8.888
   48    H4*    U   5           H4*        U   5  -7.455 -27.336  -6.471
   49    H3*    U   5           H3*        U   5  -5.159 -25.987  -7.870
   50    H2*    U   5           H2*        U   5  -3.877 -25.895  -5.936
   51   2HO*    U   5          2HO*        U   5  -5.201 -24.834  -4.567
   52    H1*    U   5           H1*        U   5  -4.899 -28.147  -4.593
   53    H3     U   5           H3         U   5  -0.596 -29.409  -4.824
   54    H5     U   5           H5         U   5  -1.751 -29.166  -8.871
   55    H6     U   5           H6         U   5  -3.896 -28.299  -8.139
   56   1H5*    A   6          1H5*        A   6  -8.733 -21.168  -6.731
   57   2H5*    A   6          2H5*        A   6  -6.974 -21.362  -6.581
   58    H4*    A   6           H4*        A   6  -8.810 -23.063  -4.914
   59    H3*    A   6           H3*        A   6  -9.024 -20.293  -4.712
   60    H2*    A   6           H2*        A   6  -6.918 -19.774  -3.877
   61   2HO*    A   6          2HO*        A   6  -7.978 -21.025  -1.549
   62    H1*    A   6           H1*        A   6  -6.524 -22.362  -2.444
   63    H8     A   6           H8         A   6  -4.940 -21.013  -5.715
   64   1H6     A   6          1H6         A   6   0.250 -20.521  -2.386
   65   2H6     A   6          2H6         A   6  -0.451 -20.350  -3.979
   66    H2     A   6           H2         A   6  -3.049 -21.821   0.369
   67   1H5*    U   7          1H5*        U   7 -10.884 -21.664   0.537
   68   2H5*    U   7          2H5*        U   7 -10.360 -19.982   0.754
   69    H4*    U   7           H4*        U   7  -9.591 -21.363   2.614
   70    H3*    U   7           H3*        U   7  -7.882 -19.687   1.162
   71    H2*    U   7           H2*        U   7  -6.640 -21.347   0.067
   72   2HO*    U   7          2HO*        U   7  -5.251 -22.113   2.270
   73    H1*    U   7           H1*        U   7  -6.911 -23.254   2.381
   74    H3     U   7           H3         U   7  -8.042 -26.675  -0.898
   75    H5     U   7           H5         U   7  -4.535 -24.555  -1.891
   76    H6     U   7           H6         U   7  -5.124 -22.918  -0.198
   77   1H5*    G   8          1H5*        G   8  -3.947 -20.774   2.857
   78   2H5*    G   8          2H5*        G   8  -4.051 -19.575   4.162
   79    H4*    G   8           H4*        G   8  -1.980 -19.155   3.104
   80    H3*    G   8           H3*        G   8  -4.122 -17.219   2.273
   81    H2*    G   8           H2*        G   8  -2.841 -16.318   0.569
   82   2HO*    G   8          2HO*        G   8  -0.952 -15.645   1.165
   83    H1*    G   8           H1*        G   8  -1.151 -18.518   0.031
   84    H8     G   8           H8         G   8  -4.907 -19.186  -0.161
   85    H1     G   8           H1         G   8  -2.363 -16.995  -5.609
   86   1H2     G   8          1H2         G   8  -0.269 -16.366  -5.273
   87   2H2     G   8          2H2         G   8   0.508 -16.478  -3.713
   88   1H5*    G   9          1H5*        G   9  -3.708 -12.876   3.160
   89   2H5*    G   9          2H5*        G   9  -5.042 -13.363   2.095
   90    H4*    G   9           H4*        G   9  -2.317 -12.394   1.429
   91    H3*    G   9           H3*        G   9  -5.068 -12.254   0.191
   92    H2*    G   9           H2*        G   9  -4.129 -11.985  -1.943
   93   2HO*    G   9          2HO*        G   9  -2.598 -10.489  -1.836
   94    H1*    G   9           H1*        G   9  -2.001 -13.698  -1.661
   95    H8     G   9           H8         G   9  -4.801 -15.555  -0.124
   96    H1     G   9           H1         G   9  -5.505 -15.125  -6.472
   97   1H2     G   9          1H2         G   9  -4.072 -13.631  -7.290
   98   2H2     G   9          2H2         G   9  -2.944 -12.758  -6.279
   99   1H5*    A  10          1H5*        A  10  -0.478  -9.198  -1.265
  100   2H5*    A  10          2H5*        A  10  -1.078  -7.626  -0.700
  101    H4*    A  10           H4*        A  10  -0.562  -7.699  -3.150
  102    H3*    A  10           H3*        A  10  -3.364  -7.071  -2.209
  103    H2*    A  10           H2*        A  10  -4.113  -6.931  -4.423
  104   2HO*    A  10          2HO*        A  10  -1.587  -7.044  -5.608
  105    H1*    A  10           H1*        A  10  -2.503  -8.913  -5.522
  106    H8     A  10           H8         A  10  -4.218  -9.828  -2.211
  107   1H6     A  10          1H6         A  10  -8.892 -11.892  -5.674
  108   2H6     A  10          2H6         A  10  -8.244 -11.775  -4.054
  109    H2     A  10           H2         A  10  -5.955  -9.848  -8.397
  110   1H5*    A  11          1H5*        A  11  -2.000  -4.608  -5.480
  111   2H5*    A  11          2H5*        A  11  -2.488  -2.921  -5.230
  112    H4*    A  11           H4*        A  11  -3.081  -3.820  -7.485
  113    H3*    A  11           H3*        A  11  -5.316  -2.915  -5.651
  114    H2*    A  11           H2*        A  11  -6.866  -3.427  -7.350
  115   2HO*    A  11          2HO*        A  11  -5.305  -4.113  -9.429
  116    H1*    A  11           H1*        A  11  -5.588  -5.699  -8.317
  117    H8     A  11           H8         A  11  -5.778  -5.523  -4.495
  118   1H6     A  11          1H6         A  11 -11.262  -8.324  -5.065
  119   2H6     A  11          2H6         A  11 -10.038  -7.778  -3.940
  120    H2     A  11           H2         A  11  -9.827  -7.222  -9.180
  121   1H5*    G  12          1H5*        G  12  -5.744   0.067  -9.026
  122   2H5*    G  12          2H5*        G  12  -6.335   1.548  -8.249
  123    H4*    G  12           H4*        G  12  -7.874   0.584  -9.993
  124    H3*    G  12           H3*        G  12  -8.847   0.920  -7.144
  125    H2*    G  12           H2*        G  12 -10.956   0.091  -7.797
  126   2HO*    G  12          2HO*        G  12 -10.434   1.377 -10.034
  127    H1*    G  12           H1*        G  12 -10.042  -1.815  -9.593
  128    H8     G  12           H8         G  12  -8.001  -1.848  -6.388
  129    H1     G  12           H1         G  12 -13.573  -4.956  -5.910
  130   1H2     G  12          1H2         G  12 -14.814  -4.568  -7.711
  131   2H2     G  12          2H2         G  12 -14.271  -3.547  -9.021
  132   1H5*    A  13          1H5*        A  13 -11.767   3.018  -9.400
  133   2H5*    A  13          2H5*        A  13 -12.119   4.576  -8.625
  134    H4*    A  13           H4*        A  13 -14.169   3.278  -8.932
  135    H3*    A  13           H3*        A  13 -13.252   3.676  -6.077
  136    H2*    A  13           H2*        A  13 -15.075   2.417  -5.305
  137   2HO*    A  13          2HO*        A  13 -16.888   3.031  -6.200
  138    H1*    A  13           H1*        A  13 -15.208   0.594  -7.410
  139    H8     A  13           H8         A  13 -11.681   1.151  -6.028
  140   1H6     A  13          1H6         A  13 -12.957  -3.475  -2.133
  141   2H6     A  13          2H6         A  13 -11.708  -2.412  -2.740
  142    H2     A  13           H2         A  13 -16.743  -2.408  -4.303
  143   1H5*    A  14          1H5*        A  14 -17.441   4.898  -6.144
  144   2H5*    A  14          2H5*        A  14 -17.545   6.481  -5.346
  145    H4*    A  14           H4*        A  14 -19.174   4.974  -4.364
  146    H3*    A  14           H3*        A  14 -16.818   5.667  -2.606
  147    H2*    A  14           H2*        A  14 -17.599   4.245  -0.926
  148   2HO*    A  14          2HO*        A  14 -19.667   4.019  -0.494
  149    H1*    A  14           H1*        A  14 -18.803   2.310  -2.554
  150    H8     A  14           H8         A  14 -15.195   3.410  -3.360
  151   1H6     A  14          1H6         A  14 -13.448  -1.309   0.220
  152   2H6     A  14          2H6         A  14 -12.904  -0.046  -0.859
  153    H2     A  14           H2         A  14 -17.919  -0.945   0.497
  154   1H5*    C  15          1H5*        C  15 -20.821   6.026  -0.568
  155   2H5*    C  15          2H5*        C  15 -20.799   7.579   0.291
  156    H4*    C  15           H4*        C  15 -21.725   5.929   1.771
  157    H3*    C  15           H3*        C  15 -18.899   6.740   2.474
  158    H2*    C  15           H2*        C  15 -18.889   5.219   4.265
  159   2HO*    C  15          2HO*        C  15 -21.258   4.182   4.496
  160    H1*    C  15           H1*        C  15 -20.349   3.193   3.067
  161   1H4     C  15          1H4         C  15 -14.330   1.302   2.320
  162   2H4     C  15          2H4         C  15 -14.011   2.613   1.207
  163    H5     C  15           H5         C  15 -15.637   4.296   0.650
  164    H6     C  15           H6         C  15 -17.916   5.104   1.060
  165   1H5*    C  16          1H5*        C  16 -20.882   6.601   6.150
  166   2H5*    C  16          2H5*        C  16 -20.348   7.960   7.161
  167    H4*    C  16           H4*        C  16 -19.879   5.761   8.201
  168    H3*    C  16           H3*        C  16 -17.573   7.561   7.466
  169    H2*    C  16           H2*        C  16 -16.017   5.945   8.104
  170   2HO*    C  16          2HO*        C  16 -17.262   5.664  10.175
  171    H1*    C  16           H1*        C  16 -17.497   3.655   7.475
  172   1H4     C  16          1H4         C  16 -13.182   3.969   2.833
  173   2H4     C  16          2H4         C  16 -13.901   5.434   2.199
  174    H5     C  16           H5         C  16 -15.772   6.545   3.242
  175    H6     C  16           H6         C  16 -17.337   6.502   5.130
  176   1H5*    G  17          1H5*        G  17 -17.617   6.459  12.160
  177   2H5*    G  17          2H5*        G  17 -17.192   8.037  12.853
  178    H4*    G  17           H4*        G  17 -15.972   6.285  14.009
  179    H3*    G  17           H3*        G  17 -14.352   8.132  12.268
  180    H2*    G  17           H2*        G  17 -12.391   6.898  12.620
  181   2HO*    G  17          2HO*        G  17 -13.662   6.249  14.997
  182    H1*    G  17           H1*        G  17 -13.467   4.361  12.675
  183    H8     G  17           H8         G  17 -15.025   6.497   9.944
  184    H1     G  17           H1         G  17  -9.482   3.806   8.227
  185   1H2     G  17          1H2         G  17  -8.513   2.861   9.997
  186   2H2     G  17          2H2         G  17  -9.227   2.905  11.593
  187   1H5*    G  18          1H5*        G  18 -11.661   7.241  15.213
  188   2H5*    G  18          2H5*        G  18 -11.405   8.745  16.119
  189    H4*    G  18           H4*        G  18  -9.250   7.808  15.611
  190    H3*    G  18           H3*        G  18  -9.965  10.234  13.963
  191    H2*    G  18           H2*        G  18  -8.036  10.013  12.687
  192   2HO*    G  18          2HO*        G  18  -6.976   8.671  14.956
  193    H1*    G  18           H1*        G  18  -7.671   7.211  12.974
  194    H8     G  18           H8         G  18 -11.010   8.451  11.552
  195    H1     G  18           H1         G  18  -6.461   7.506   7.154
  196   1H2     G  18          1H2         G  18  -4.528   7.046   8.141
  197   2H2     G  18          2H2         G  18  -4.355   6.979   9.881
  198   1H5*    G  19          1H5*        G  19  -5.958  10.206  15.245
  199   2H5*    G  19          2H5*        G  19  -5.477  11.744  15.989
  200    H4*    G  19           H4*        G  19  -3.807  10.992  14.360
  201    H3*    G  19           H3*        G  19  -5.348  13.501  13.707
  202    H2*    G  19           H2*        G  19  -4.371  13.640  11.606
  203   2HO*    G  19          2HO*        G  19  -2.248  13.704  12.163
  204    H1*    G  19           H1*        G  19  -3.783  10.882  11.235
  205    H8     G  19           H8         G  19  -7.416  11.983  11.876
  206    H1     G  19           H1         G  19  -5.754  11.670   5.700
  207   1H2     G  19          1H2         G  19  -3.577  11.282   5.517
  208   2H2     G  19          2H2         G  19  -2.536  11.100   6.911
  209   1H5*    G  20          1H5*        G  20  -4.060  17.588  14.108
  210   2H5*    G  20          2H5*        G  20  -5.527  17.233  13.172
  211    H4*    G  20           H4*        G  20  -2.666  17.221  12.335
  212    H3*    G  20           H3*        G  20  -5.287  18.124  11.184
  213    H2*    G  20           H2*        G  20  -4.694  17.530   8.989
  214   2HO*    G  20          2HO*        G  20  -2.439  18.447   9.452
  215    H1*    G  20           H1*        G  20  -3.457  15.170   9.482
  216    H8     G  20           H8         G  20  -6.090  15.014  12.058
  217    H1     G  20           H1         G  20  -8.604  14.542   6.192
  218   1H2     G  20          1H2         G  20  -7.087  15.048   4.673
  219   2H2     G  20          2H2         G  20  -5.454  15.518   5.094
  220   1H5*    A  21          1H5*        A  21  -6.455  22.040  11.421
  221   2H5*    A  21          2H5*        A  21  -6.987  20.626  10.490
  222    H4*    A  21           H4*        A  21  -7.489  23.110   9.679
  223    H3*    A  21           H3*        A  21  -7.005  20.613   8.144
  224    H2*    A  21           H2*        A  21  -6.411  21.637   6.142
  225   2HO*    A  21          2HO*        A  21  -8.050  23.706   7.110
  226    H1*    A  21           H1*        A  21  -5.193  23.930   7.020
  227    H8     A  21           H8         A  21  -4.072  21.055   9.209
  228   1H6     A  21          1H6         A  21   0.219  19.877   4.938
  229   2H6     A  21          2H6         A  21  -0.352  19.502   6.549
  230    H2     A  21           H2         A  21  -2.593  22.942   3.246
  231   1H5*    A  22          1H5*        A  22  -9.922  19.505   4.925
  232   2H5*    A  22          2H5*        A  22  -8.746  18.232   5.308
  233    H4*    A  22           H4*        A  22  -8.614  20.405   3.327
  234    H3*    A  22           H3*        A  22  -7.460  17.654   3.656
  235    H2*    A  22           H2*        A  22  -5.462  18.180   2.588
  236   2HO*    A  22          2HO*        A  22  -5.448  20.298   1.328
  237    H1*    A  22           H1*        A  22  -5.199  20.846   3.292
  238    H8     A  22           H8         A  22  -5.906  19.550   6.588
  239   1H6     A  22          1H6         A  22  -0.303  16.965   6.751
  240   2H6     A  22          2H6         A  22  -1.696  17.436   7.698
  241    H2     A  22           H2         A  22  -1.187  18.084   2.489
  242   1H5*    A  23          1H5*        A  23  -7.464  17.113  -1.700
  243   2H5*    A  23          2H5*        A  23  -7.554  15.497  -0.971
  244    H4*    A  23           H4*        A  23  -5.441  16.497  -2.449
  245    H3*    A  23           H3*        A  23  -5.773  14.161  -0.605
  246    H2*    A  23           H2*        A  23  -3.475  13.886  -0.258
  247   2HO*    A  23          2HO*        A  23  -2.780  13.873  -2.378
  248    H1*    A  23           H1*        A  23  -2.662  16.492  -0.248
  249    H8     A  23           H8         A  23  -6.012  15.849   1.523
  250   1H6     A  23          1H6         A  23  -2.669  15.156   6.671
  251   2H6     A  23          2H6         A  23  -4.289  15.291   6.020
  252    H2     A  23           H2         A  23   0.183  15.537   3.206
  253   1H5*    C  24          1H5*        C  24  -3.522  12.330  -2.982
  254   2H5*    C  24          2H5*        C  24  -3.927  10.645  -3.367
  255    H4*    C  24           H4*        C  24  -2.001  10.925  -1.774
  256    H3*    C  24           H3*        C  24  -4.450   9.339  -1.012
  257    H2*    C  24           H2*        C  24  -3.649   9.000   1.156
  258   2HO*    C  24          2HO*        C  24  -1.505   9.007   1.680
  259    H1*    C  24           H1*        C  24  -2.291  11.407   1.501
  260   1H4     C  24          1H4         C  24  -7.702  12.151   4.761
  261   2H4     C  24          2H4         C  24  -8.623  12.260   3.276
  262    H5     C  24           H5         C  24  -7.638  11.985   1.090
  263    H6     C  24           H6         C  24  -5.570  11.533  -0.139
  264   1H5*    U  25          1H5*        U  25  -1.526   7.579   0.477
  265   2H5*    U  25          2H5*        U  25  -1.189   5.882   0.081
  266    H4*    U  25           H4*        U  25  -1.184   6.066   2.465
  267    H3*    U  25           H3*        U  25  -3.712   4.792   1.397
  268    H2*    U  25           H2*        U  25  -4.566   4.636   3.570
  269   2HO*    U  25          2HO*        U  25  -2.244   5.282   4.944
  270    H1*    U  25           H1*        U  25  -3.338   6.932   4.633
  271    H3     U  25           H3         U  25  -7.715   7.843   5.242
  272    H5     U  25           H5         U  25  -7.225   8.024   1.058
  273    H6     U  25           H6         U  25  -4.948   7.244   1.357
  274   1H5*    U  26          1H5*        U  26  -2.197   3.139   4.511
  275   2H5*    U  26          2H5*        U  26  -1.617   1.461   4.524
  276    H4*    U  26           H4*        U  26  -2.682   1.610   6.580
  277    H3*    U  26           H3*        U  26  -4.710   0.597   4.579
  278    H2*    U  26           H2*        U  26  -6.377   0.650   6.220
  279   2HO*    U  26          2HO*        U  26  -5.770   0.859   8.495
  280    H1*    U  26           H1*        U  26  -5.472   2.877   7.638
  281    H3     U  26           H3         U  26  -9.376   4.558   6.181
  282    H5     U  26           H5         U  26  -7.302   3.728   2.611
  283    H6     U  26           H6         U  26  -5.531   2.744   3.944
  284   1H5*    G  27          1H5*        G  27  -5.125  -1.502   7.997
  285   2H5*    G  27          2H5*        G  27  -5.630  -3.192   7.811
  286    H4*    G  27           H4*        G  27  -7.285  -1.874   9.073
  287    H3*    G  27           H3*        G  27  -8.143  -2.907   6.359
  288    H2*    G  27           H2*        G  27 -10.216  -1.881   6.636
  289   2HO*    G  27          2HO*        G  27 -11.070  -2.542   8.465
  290    H1*    G  27           H1*        G  27  -9.354   0.209   8.364
  291    H8     G  27           H8         G  27  -7.819  -0.206   4.840
  292    H1     G  27           H1         G  27 -12.871   3.711   5.179
  293   1H2     G  27          1H2         G  27 -13.768   3.611   7.207
  294   2H2     G  27          2H2         G  27 -13.117   2.590   8.470
  295   1H5*    G  28          1H5*        G  28 -10.896  -4.442   9.683
  296   2H5*    G  28          2H5*        G  28 -10.953  -6.198   9.425
  297    H4*    G  28           H4*        G  28 -13.178  -5.629   9.893
  298    H3*    G  28           H3*        G  28 -12.740  -5.849   6.921
  299    H2*    G  28           H2*        G  28 -14.919  -5.087   6.465
  300   2HO*    G  28          2HO*        G  28 -16.276  -4.784   8.583
  301    H1*    G  28           H1*        G  28 -15.102  -3.152   8.387
  302    H8     G  28           H8         G  28 -11.665  -3.533   6.681
  303    H1     G  28           H1         G  28 -15.636   0.545   3.752
  304   1H2     G  28          1H2         G  28 -17.622   0.519   4.749
  305   2H2     G  28          2H2         G  28 -17.979  -0.525   6.106
  306   1H5*    U  29          1H5*        U  29 -16.617  -7.266   7.342
  307   2H5*    U  29          2H5*        U  29 -16.703  -8.850   6.544
  308    H4*    U  29           H4*        U  29 -18.403  -7.306   5.663
  309    H3*    U  29           H3*        U  29 -16.194  -8.143   3.776
  310    H2*    U  29           H2*        U  29 -17.062  -6.770   2.111
  311   2HO*    U  29          2HO*        U  29 -19.264  -6.140   2.083
  312    H1*    U  29           H1*        U  29 -18.270  -4.833   3.793
  313    H3     U  29           H3         U  29 -15.620  -2.345   1.107
  314    H5     U  29           H5         U  29 -12.897  -4.532   3.469
  315    H6     U  29           H6         U  29 -14.782  -5.751   4.392
  316   1H5*    U  30          1H5*        U  30 -20.227  -8.193   2.135
  317   2H5*    U  30          2H5*        U  30 -20.494  -9.738   1.304
  318    H4*    U  30           H4*        U  30 -21.356  -7.955  -0.077
  319    H3*    U  30           H3*        U  30 -18.776  -9.158  -1.112
  320    H2*    U  30           H2*        U  30 -18.864  -7.693  -2.952
  321   2HO*    U  30          2HO*        U  30 -20.951  -6.393  -3.153
  322    H1*    U  30           H1*        U  30 -19.913  -5.492  -1.606
  323    H3     U  30           H3         U  30 -15.841  -3.947  -2.741
  324    H5     U  30           H5         U  30 -15.004  -6.950   0.097
  325    H6     U  30           H6         U  30 -17.364  -7.514   0.095
  326   1H5*    C  31          1H5*        C  31 -21.296  -8.939  -4.490
  327   2H5*    C  31          2H5*        C  31 -20.975 -10.344  -5.525
  328    H4*    C  31           H4*        C  31 -20.534  -8.141  -6.629
  329    H3*    C  31           H3*        C  31 -18.234 -10.085  -6.288
  330    H2*    C  31           H2*        C  31 -16.819  -8.553  -7.343
  331   2HO*    C  31          2HO*        C  31 -18.806  -8.241  -8.958
  332    H1*    C  31           H1*        C  31 -18.155  -6.199  -6.512
  333   1H4     C  31          1H4         C  31 -12.692  -6.156  -3.272
  334   2H4     C  31          2H4         C  31 -13.211  -7.518  -2.304
  335    H5     C  31           H5         C  31 -15.298  -8.671  -2.660
  336    H6     C  31           H6         C  31 -17.320  -8.787  -4.041
  337   1H5*    U  32          1H5*        U  32 -18.370  -9.429 -10.566
  338   2H5*    U  32          2H5*        U  32 -18.267 -10.998 -11.392
  339    H4*    U  32           H4*        U  32 -16.538  -9.548 -12.258
  340    H3*    U  32           H3*        U  32 -15.571 -11.786 -10.479
  341    H2*    U  32           H2*        U  32 -13.369 -11.015 -10.609
  342   2HO*    U  32          2HO*        U  32 -14.036  -9.329 -12.796
  343    H1*    U  32           H1*        U  32 -13.890  -8.280 -10.783
  344    H3     U  32           H3         U  32 -11.640  -8.458  -6.896
  345    H5     U  32           H5         U  32 -15.221 -10.499  -6.042
  346    H6     U  32           H6         U  32 -15.818 -10.293  -8.387
  347   1H5*    U  33          1H5*        U  33 -13.395 -11.263 -14.333
  348   2H5*    U  33          2H5*        U  33 -12.849 -12.827 -14.971
  349    H4*    U  33           H4*        U  33 -11.068 -11.052 -14.877
  350    H3*    U  33           H3*        U  33 -10.747 -13.692 -13.467
  351    H2*    U  33           H2*        U  33  -8.814 -13.010 -12.390
  352   2HO*    U  33          2HO*        U  33  -7.521 -12.496 -14.059
  353    H1*    U  33           H1*        U  33  -9.254 -10.212 -12.392
  354    H3     U  33           H3         U  33  -8.504 -10.937  -8.000
  355    H5     U  33           H5         U  33 -12.122 -12.963  -8.756
  356    H6     U  33           H6         U  33 -11.829 -12.476 -11.114
  357   1H5*    C  34          1H5*        C  34  -6.182 -14.148 -15.807
  358   2H5*    C  34          2H5*        C  34  -6.089 -15.452 -14.607
  359    H4*    C  34           H4*        C  34  -5.026 -12.709 -14.515
  360    H3*    C  34           H3*        C  34  -4.367 -15.366 -13.268
  361    H2*    C  34           H2*        C  34  -3.515 -14.388 -11.343
  362   2HO*    C  34          2HO*        C  34  -3.100 -12.065 -12.937
  363    H1*    C  34           H1*        C  34  -5.023 -12.016 -11.313
  364   1H4     C  34          1H4         C  34  -7.183 -15.721  -6.563
  365   2H4     C  34          2H4         C  34  -8.427 -16.303  -7.646
  366    H5     C  34           H5         C  34  -8.504 -15.749  -9.989
  367    H6     C  34           H6         C  34  -7.387 -14.553 -11.808
  368   1H5*    C  35          1H5*        C  35   0.749 -16.385 -13.825
  369   2H5*    C  35          2H5*        C  35  -0.677 -16.884 -12.892
  370    H4*    C  35           H4*        C  35   1.447 -14.872 -12.089
  371    H3*    C  35           H3*        C  35   0.818 -17.677 -11.263
  372    H2*    C  35           H2*        C  35   0.810 -17.219  -8.990
  373   2HO*    C  35          2HO*        C  35   2.631 -16.305  -8.436
  374    H1*    C  35           H1*        C  35   0.028 -14.542  -8.998
  375   1H4     C  35          1H4         C  35  -4.991 -17.993  -7.047
  376   2H4     C  35          2H4         C  35  -5.563 -18.028  -8.699
  377    H5     C  35           H5         C  35  -4.288 -17.180 -10.557
  378    H6     C  35           H6         C  35  -2.184 -16.125 -11.235
  379   1H5*    U  36          1H5*        U  36   3.920 -20.732 -11.422
  380   2H5*    U  36          2H5*        U  36   2.360 -21.223 -10.730
  381    H4*    U  36           H4*        U  36   4.559 -19.573  -9.489
  382    H3*    U  36           H3*        U  36   3.216 -22.171  -8.883
  383    H2*    U  36           H2*        U  36   2.854 -21.715  -6.635
  384   2HO*    U  36          2HO*        U  36   4.156 -19.772  -5.756
  385    H1*    U  36           H1*        U  36   2.557 -18.964  -6.684
  386    H3     U  36           H3         U  36  -1.297 -21.156  -5.293
  387    H5     U  36           H5         U  36  -1.643 -20.546  -9.449
  388    H6     U  36           H6         U  36   0.694 -19.890  -9.480
  389   1H5*    A  37          1H5*        A  37   7.039 -24.429  -5.933
  390   2H5*    A  37          2H5*        A  37   5.898 -25.484  -6.790
  391    H4*    A  37           H4*        A  37   5.834 -24.458  -4.001
  392    H3*    A  37           H3*        A  37   5.862 -27.002  -5.118
  393    H2*    A  37           H2*        A  37   3.661 -27.113  -5.892
  394   2HO*    A  37          2HO*        A  37   2.464 -27.362  -3.500
  395    H1*    A  37           H1*        A  37   2.547 -25.388  -3.715
  396    H8     A  37           H8         A  37   3.039 -25.075  -7.574
  397   1H6     A  37          1H6         A  37  -3.108 -24.503  -7.751
  398   2H6     A  37          2H6         A  37  -1.637 -24.515  -8.697
  399    H2     A  37           H2         A  37  -1.903 -25.161  -3.470
  400   1H5*    A  38          1H5*        A  38   6.678 -26.037  -0.543
  401   2H5*    A  38          2H5*        A  38   7.798 -27.369  -0.192
  402    H4*    A  38           H4*        A  38   7.096 -27.080   1.936
  403    H3*    A  38           H3*        A  38   5.041 -28.818   0.666
  404    H2*    A  38           H2*        A  38   3.344 -28.370   2.193
  405   2HO*    A  38          2HO*        A  38   3.968 -27.321   4.283
  406    H1*    A  38           H1*        A  38   3.860 -25.765   2.846
  407    H8     A  38           H8         A  38   4.384 -26.085  -0.875
  408   1H6     A  38          1H6         A  38  -1.725 -25.429  -1.494
  409   2H6     A  38          2H6         A  38  -0.191 -25.482  -2.334
  410    H2     A  38           H2         A  38  -0.832 -25.997   2.876
  411   1H5*    G  39          1H5*        G  39   3.645 -32.363   4.385
  412   2H5*    G  39          2H5*        G  39   3.291 -31.886   2.713
  413    H4*    G  39           H4*        G  39   2.368 -30.500   5.250
  414    H3*    G  39           H3*        G  39   1.017 -32.294   3.269
  415    H2*    G  39           H2*        G  39  -0.822 -30.893   2.983
  416   2HO*    G  39          2HO*        G  39  -1.228 -29.174   4.572
  417    H1*    G  39           H1*        G  39   0.373 -28.424   3.294
  418    H8     G  39           H8         G  39   2.732 -30.187   1.056
  419    H1     G  39           H1         G  39  -2.681 -28.615  -1.982
  420   1H2     G  39          1H2         G  39  -4.224 -28.003  -0.514
  421   2H2     G  39          2H2         G  39  -3.927 -27.985   1.210
  422   1H5*    U  40          1H5*        U  40  -2.061 -32.108   5.824
  423   2H5*    U  40          2H5*        U  40  -2.478 -33.680   6.533
  424    H4*    U  40           H4*        U  40  -4.460 -32.854   5.503
  425    H3*    U  40           H3*        U  40  -3.100 -35.035   3.938
  426    H2*    U  40           H2*        U  40  -4.558 -34.791   2.127
  427   2HO*    U  40          2HO*        U  40  -6.493 -33.212   2.728
  428    H1*    U  40           H1*        U  40  -4.977 -32.057   2.242
  429    H3     U  40           H3         U  40  -2.795 -32.676  -1.693
  430    H5     U  40           H5         U  40   0.204 -33.056   1.246
  431    H6     U  40           H6         U  40  -1.533 -32.969   2.938
  432   1H5*    C  41          1H5*        C  41  -6.712 -35.704   3.669
  433   2H5*    C  41          2H5*        C  41  -7.522 -37.210   4.144
  434    H4*    C  41           H4*        C  41  -8.147 -36.866   1.894
  435    H3*    C  41           H3*        C  41  -5.900 -38.868   2.121
  436    H2*    C  41           H2*        C  41  -5.699 -38.999  -0.193
  437   2HO*    C  41          2HO*        C  41  -7.380 -38.840  -1.542
  438    H1*    C  41           H1*        C  41  -6.553 -36.389  -0.834
  439   1H4     C  41          1H4         C  41  -0.313 -36.340  -2.018
  440   2H4     C  41          2H4         C  41   0.051 -36.460  -0.311
  441    H5     C  41           H5         C  41  -1.642 -36.707   1.385
  442    H6     C  41           H6         C  41  -4.049 -36.894   1.811
  443   1H5*    C  42          1H5*        C  42  -9.083 -39.576  -0.420
  444   2H5*    C  42          2H5*        C  42  -9.949 -41.115  -0.238
  445    H4*    C  42           H4*        C  42  -9.859 -40.671  -2.574
  446    H3*    C  42           H3*        C  42  -7.853 -42.752  -1.706
  447    H2*    C  42           H2*        C  42  -6.989 -42.897  -3.891
  448   2HO*    C  42          2HO*        C  42  -9.362 -41.546  -4.703
  449    H1*    C  42           H1*        C  42  -7.105 -40.233  -4.548
  450   1H4     C  42          1H4         C  42  -1.147 -40.993  -2.442
  451   2H4     C  42          2H4         C  42  -1.713 -41.098  -0.791
  452    H5     C  42           H5         C  42  -4.040 -41.083  -0.190
  453    H6     C  42           H6         C  42  -6.335 -40.959  -1.036
  454   1H5*    U  43          1H5*        U  43  -9.206 -43.541  -5.236
  455   2H5*    U  43          2H5*        U  43  -9.643 -45.214  -5.634
  456    H4*    U  43           H4*        U  43  -7.921 -44.188  -7.152
  457    H3*    U  43           H3*        U  43  -7.357 -46.708  -5.614
  458    H2*    U  43           H2*        U  43  -5.115 -46.610  -6.052
  459   2HO*    U  43          2HO*        U  43  -5.376 -47.064  -8.233
  460    H1*    U  43           H1*        U  43  -5.121 -43.879  -7.132
  461    H3     U  43           H3         U  43  -1.032 -44.054  -5.223
  462    H5     U  43           H5         U  43  -3.706 -44.287  -1.969
  463    H6     U  43           H6         U  43  -5.521 -44.479  -3.569
  464    H3T    U  43           H3T        U  43  -8.026 -45.897  -8.218
  465   1H5*    G  44          1H5*        G  44  -7.753  46.590   2.190
  466   2H5*    G  44          2H5*        G  44  -7.975  44.829   2.240
  467    H4*    G  44           H4*        G  44  -7.853  45.702  -0.073
  468    H3*    G  44           H3*        G  44  -5.872  43.707   0.940
  469    H2*    G  44           H2*        G  44  -4.411  43.928  -0.869
  470   2HO*    G  44          2HO*        G  44  -5.127  45.012  -2.832
  471    H1*    G  44           H1*        G  44  -4.604  46.602  -1.351
  472    H8     G  44           H8         G  44  -4.719  46.227   2.390
  473    H1     G  44           H1         G  44   1.200  45.585   0.026
  474   1H2     G  44          1H2         G  44   1.121  45.444  -2.188
  475   2H2     G  44          2H2         G  44  -0.382  45.505  -3.081
  476    H5T    G  44           H5T        G  44  -6.346  44.969   3.562
  477   1H5*    G  45          1H5*        G  45  -5.720  42.992  -2.767
  478   2H5*    G  45          2H5*        G  45  -6.183  41.342  -3.226
  479    H4*    G  45           H4*        G  45  -3.984  41.884  -4.132
  480    H3*    G  45           H3*        G  45  -4.052  39.819  -1.930
  481    H2*    G  45           H2*        G  45  -1.731  39.692  -1.908
  482   2HO*    G  45          2HO*        G  45  -0.704  40.766  -3.984
  483    H1*    G  45           H1*        G  45  -1.173  42.309  -2.864
  484    H8     G  45           H8         G  45  -3.294  42.314   0.270
  485    H1     G  45           H1         G  45   2.970  41.642   1.430
  486   1H2     G  45          1H2         G  45   4.056  41.279  -0.474
  487   2H2     G  45          2H2         G  45   3.242  41.203  -2.020
  488   1H5*    G  46          1H5*        G  46  -1.860  38.758  -5.379
  489   2H5*    G  46          2H5*        G  46  -2.074  37.105  -5.990
  490    H4*    G  46           H4*        G  46   0.304  37.718  -5.872
  491    H3*    G  46           H3*        G  46  -0.684  35.531  -4.042
  492    H2*    G  46           H2*        G  46   1.420  35.337  -3.041
  493   2HO*    G  46          2HO*        G  46   3.320  36.100  -4.052
  494    H1*    G  46           H1*        G  46   2.210  38.010  -3.208
  495    H8     G  46           H8         G  46  -1.328  37.535  -1.847
  496    H1     G  46           H1         G  46   3.275  37.036   2.573
  497   1H2     G  46          1H2         G  46   5.270  37.007   1.585
  498   2H2     G  46          2H2         G  46   5.458  37.109  -0.149
  499   1H5*    A  47          1H5*        A  47   2.724  34.487  -5.699
  500   2H5*    A  47          2H5*        A  47   2.851  32.970  -6.611
  501    H4*    A  47           H4*        A  47   4.716  33.099  -5.093
  502    H3*    A  47           H3*        A  47   2.594  31.095  -4.340
  503    H2*    A  47           H2*        A  47   3.646  30.613  -2.322
  504   2HO*    A  47          2HO*        A  47   6.024  31.621  -3.524
  505    H1*    A  47           H1*        A  47   4.885  33.102  -1.870
  506    H8     A  47           H8         A  47   1.100  33.026  -2.576
  507   1H6     A  47          1H6         A  47   0.412  32.816   3.555
  508   2H6     A  47          2H6         A  47  -0.411  32.954   2.019
  509    H2     A  47           H2         A  47   4.803  32.471   2.646
  510   1H5*    U  48          1H5*        U  48   6.323  28.998  -3.793
  511   2H5*    U  48          2H5*        U  48   6.054  27.282  -4.157
  512    H4*    U  48           H4*        U  48   6.743  27.859  -1.764
  513    H3*    U  48           H3*        U  48   4.369  26.158  -2.477
  514    H2*    U  48           H2*        U  48   3.573  26.127  -0.301
  515   2HO*    U  48          2HO*        U  48   5.535  25.278   0.544
  516    H1*    U  48           H1*        U  48   4.689  28.551   0.638
  517    H3     U  48           H3         U  48   0.326  29.218   1.561
  518    H5     U  48           H5         U  48   0.461  29.172  -2.651
  519    H6     U  48           H6         U  48   2.802  28.553  -2.504
  520   1H5*    A  49          1H5*        A  49   8.452  23.150  -0.671
  521   2H5*    A  49          2H5*        A  49   7.411  21.715  -0.573
  522    H4*    A  49           H4*        A  49   8.914  23.133   1.546
  523    H3*    A  49           H3*        A  49   8.817  20.507   0.659
  524    H2*    A  49           H2*        A  49   6.836  19.761   1.594
  525   2HO*    A  49          2HO*        A  49   8.838  19.551   3.378
  526    H1*    A  49           H1*        A  49   6.736  21.585   3.918
  527    H8     A  49           H8         A  49   4.964  21.711   0.454
  528   1H6     A  49          1H6         A  49  -0.182  20.488   3.650
  529   2H6     A  49          2H6         A  49   0.471  20.852   2.069
  530    H2     A  49           H2         A  49   3.274  20.421   6.514
  531   1H5*    U  50          1H5*        U  50  10.758  20.899   6.183
  532   2H5*    U  50          2H5*        U  50  10.686  19.225   5.598
  533    H4*    U  50           H4*        U  50   9.935  19.122   7.832
  534    H3*    U  50           H3*        U  50   8.142  18.363   5.866
  535    H2*    U  50           H2*        U  50   6.775  20.278   5.894
  536   2HO*    U  50          2HO*        U  50   5.088  19.932   7.555
  537    H1*    U  50           H1*        U  50   7.069  20.609   8.868
  538    H3     U  50           H3         U  50   7.882  25.336   7.979
  539    H5     U  50           H5         U  50   4.434  23.870   6.048
  540    H6     U  50           H6         U  50   5.179  21.619   6.566
  541   1H5*    G  51          1H5*        G  51   4.786  17.541   8.878
  542   2H5*    G  51          2H5*        G  51   4.804  15.772   8.736
  543    H4*    G  51           H4*        G  51   2.552  16.853   8.379
  544    H3*    G  51           H3*        G  51   3.815  15.064   6.316
  545    H2*    G  51           H2*        G  51   2.141  15.508   4.756
  546   2HO*    G  51          2HO*        G  51   0.357  15.012   5.985
  547    H1*    G  51           H1*        G  51   1.513  18.124   5.492
  548    H8     G  51           H8         G  51   5.182  18.160   5.175
  549    H1     G  51           H1         G  51   2.357  17.750  -0.550
  550   1H2     G  51          1H2         G  51   0.215  17.233  -0.305
  551   2H2     G  51          2H2         G  51  -0.520  16.992   1.264
  552   1H5*    G  52          1H5*        G  52   3.883  11.598   4.943
  553   2H5*    G  52          2H5*        G  52   3.694  13.361   4.943
  554    H4*    G  52           H4*        G  52   1.163  11.893   4.612
  555    H3*    G  52           H3*        G  52   3.439  11.297   2.773
  556    H2*    G  52           H2*        G  52   2.323  11.942   0.833
  557   2HO*    G  52          2HO*        G  52   0.419  10.627   1.565
  558    H1*    G  52           H1*        G  52   0.789  14.004   1.775
  559    H8     G  52           H8         G  52   3.850  14.942   3.465
  560    H1     G  52           H1         G  52   4.562  15.558  -2.862
  561   1H2     G  52          1H2         G  52   2.921  14.474  -3.919
  562   2H2     G  52          2H2         G  52   1.664  13.606  -3.067
  563   1H5*    A  53          1H5*        A  53   0.525   8.243   1.490
  564   2H5*    A  53          2H5*        A  53   1.351   6.689   1.262
  565    H4*    A  53           H4*        A  53   0.294   7.625  -0.818
  566    H3*    A  53           H3*        A  53   3.234   6.993  -0.679
  567    H2*    A  53           H2*        A  53   3.639   7.908  -2.787
  568   2HO*    A  53          2HO*        A  53   1.942   8.223  -4.311
  569    H1*    A  53           H1*        A  53   1.746   9.944  -2.768
  570    H8     A  53           H8         A  53   3.528  10.143   0.513
  571   1H6     A  53          1H6         A  53   8.099  13.089  -2.421
  572   2H6     A  53          2H6         A  53   7.441  12.650  -0.861
  573    H2     A  53           H2         A  53   5.335  11.387  -5.527
  574   1H5*    A  54          1H5*        A  54   1.867   5.410  -4.370
  575   2H5*    A  54          2H5*        A  54   2.311   3.699  -4.521
  576    H4*    A  54           H4*        A  54   2.969   4.908  -6.529
  577    H3*    A  54           H3*        A  54   5.229   3.957  -4.761
  578    H2*    A  54           H2*        A  54   6.804   4.920  -6.231
  579   2HO*    A  54          2HO*        A  54   5.595   4.086  -8.133
  580    H1*    A  54           H1*        A  54   5.434   7.232  -6.789
  581    H8     A  54           H8         A  54   5.065   6.265  -3.111
  582   1H6     A  54          1H6         A  54  10.322   9.388  -2.160
  583   2H6     A  54          2H6         A  54   8.991   8.549  -1.395
  584    H2     A  54           H2         A  54   9.656   9.105  -6.597
  585   1H5*    G  55          1H5*        G  55   6.161   1.897  -8.474
  586   2H5*    G  55          2H5*        G  55   6.733   0.256  -8.114
  587    H4*    G  55           H4*        G  55   8.456   1.522  -9.294
  588    H3*    G  55           H3*        G  55   9.061   0.929  -6.383
  589    H2*    G  55           H2*        G  55  11.150   1.994  -6.647
  590   2HO*    G  55          2HO*        G  55  10.752   1.983  -9.467
  591    H1*    G  55           H1*        G  55  10.296   4.016  -8.335
  592    H8     G  55           H8         G  55   7.993   3.326  -5.347
  593    H1     G  55           H1         G  55  12.942   7.154  -4.028
  594   1H2     G  55          1H2         G  55  14.311   7.251  -5.774
  595   2H2     G  55          2H2         G  55  14.009   6.368  -7.251
  596   1H5*    A  56          1H5*        A  56  12.210  -0.419  -8.974
  597   2H5*    A  56          2H5*        A  56  13.006  -1.902  -8.414
  598    H4*    A  56           H4*        A  56  14.569   0.007  -8.872
  599    H3*    A  56           H3*        A  56  14.450  -1.174  -6.087
  600    H2*    A  56           H2*        A  56  16.119   0.342  -5.401
  601   2HO*    A  56          2HO*        A  56  16.697   0.482  -8.165
  602    H1*    A  56           H1*        A  56  15.285   2.510  -6.929
  603    H8     A  56           H8         A  56  12.324   0.857  -5.230
  604   1H6     A  56          1H6         A  56  13.630   4.364  -0.321
  605   2H6     A  56          2H6         A  56  12.455   3.295  -1.052
  606    H2     A  56           H2         A  56  17.044   4.724  -3.225
  607   1H5*    A  57          1H5*        A  57  18.207  -1.315  -7.012
  608   2H5*    A  57          2H5*        A  57  19.026  -2.876  -7.221
  609    H4*    A  57           H4*        A  57  20.513  -1.782  -5.833
  610    H3*    A  57           H3*        A  57  18.570  -3.274  -4.064
  611    H2*    A  57           H2*        A  57  19.560  -2.341  -2.145
  612   2HO*    A  57          2HO*        A  57  21.599  -1.214  -2.298
  613    H1*    A  57           H1*        A  57  20.024   0.186  -3.129
  614    H8     A  57           H8         A  57  16.647  -1.351  -4.140
  615   1H6     A  57          1H6         A  57  14.412   1.234   1.001
  616   2H6     A  57          2H6         A  57  14.012   0.372  -0.467
  617    H2     A  57           H2         A  57  18.878   1.781   1.005
  618   1H5*    C  58          1H5*        C  58  22.416  -3.980  -2.336
  619   2H5*    C  58          2H5*        C  58  22.629  -5.735  -2.172
  620    H4*    C  58           H4*        C  58  23.172  -4.747  -0.059
  621    H3*    C  58           H3*        C  58  20.454  -6.080  -0.056
  622    H2*    C  58           H2*        C  58  20.153  -5.446   2.187
  623   2HO*    C  58          2HO*        C  58  22.734  -4.487   2.610
  624    H1*    C  58           H1*        C  58  21.438  -2.973   2.054
  625   1H4     C  58          1H4         C  58  15.247  -1.550   1.789
  626   2H4     C  58          2H4         C  58  15.126  -2.221   0.180
  627    H5     C  58           H5         C  58  16.959  -3.299  -0.941
  628    H6     C  58           H6         C  58  19.304  -3.991  -0.755
  629   1H5*    C  59          1H5*        C  59  22.138  -7.026   3.421
  630   2H5*    C  59          2H5*        C  59  21.760  -8.669   3.977
  631    H4*    C  59           H4*        C  59  20.904  -6.929   5.515
  632    H3*    C  59           H3*        C  59  18.859  -8.643   4.082
  633    H2*    C  59           H2*        C  59  17.150  -7.479   5.176
  634   2HO*    C  59          2HO*        C  59  18.226  -6.007   7.047
  635    H1*    C  59           H1*        C  59  18.517  -5.008   5.429
  636   1H4     C  59          1H4         C  59  13.897  -3.908   1.209
  637   2H4     C  59          2H4         C  59  14.666  -4.952   0.031
  638    H5     C  59           H5         C  59  16.688  -6.193   0.484
  639    H6     C  59           H6         C  59  18.378  -6.734   2.179
  640   1H5*    G  60          1H5*        G  60  18.751  -9.260   8.837
  641   2H5*    G  60          2H5*        G  60  18.378 -10.991   8.956
  642    H4*    G  60           H4*        G  60  17.043  -9.690  10.549
  643    H3*    G  60           H3*        G  60  15.551 -11.024   8.285
  644    H2*    G  60           H2*        G  60  13.530 -10.109   9.032
  645   2HO*    G  60          2HO*        G  60  14.148  -8.985  11.389
  646    H1*    G  60           H1*        G  60  14.519  -7.685   9.997
  647    H8     G  60           H8         G  60  15.843  -8.559   6.543
  648    H1     G  60           H1         G  60  10.097  -5.733   6.449
  649   1H2     G  60          1H2         G  60   9.293  -5.581   8.518
  650   2H2     G  60          2H2         G  60  10.164  -6.178   9.912
  651   1H5*    G  61          1H5*        G  61  13.292 -11.244  11.558
  652   2H5*    G  61          2H5*        G  61  12.925 -12.914  12.032
  653    H4*    G  61           H4*        G  61  10.884 -11.628  12.096
  654    H3*    G  61           H3*        G  61  11.060 -13.561   9.778
  655    H2*    G  61           H2*        G  61   9.025 -12.801   8.950
  656   2HO*    G  61          2HO*        G  61   7.425 -11.921  10.268
  657    H1*    G  61           H1*        G  61   9.125 -10.171  10.023
  658    H8     G  61           H8         G  61  12.053 -11.137   7.783
  659    H1     G  61           H1         G  61   6.957  -8.938   4.596
  660   1H2     G  61          1H2         G  61   5.230  -8.734   5.970
  661   2H2     G  61          2H2         G  61   5.329  -9.139   7.670
  662   1H5*    G  62          1H5*        G  62   7.059 -13.450  11.802
  663   2H5*    G  62          2H5*        G  62   6.638 -15.153  12.069
  664    H4*    G  62           H4*        G  62   4.758 -13.834  11.122
  665    H3*    G  62           H3*        G  62   5.900 -16.121   9.521
  666    H2*    G  62           H2*        G  62   4.514 -15.631   7.713
  667   2HO*    G  62          2HO*        G  62   2.777 -13.886   8.978
  668    H1*    G  62           H1*        G  62   4.243 -12.853   8.131
  669    H8     G  62           H8         G  62   7.792 -14.304   7.938
  670    H1     G  62           H1         G  62   5.376 -12.447   2.309
  671   1H2     G  62          1H2         G  62   3.233 -11.921   2.533
  672   2H2     G  62          2H2         G  62   2.397 -12.023   4.069
  673   1H5*    G  63          1H5*        G  63   4.227 -19.935   8.547
  674   2H5*    G  63          2H5*        G  63   5.160 -18.432   8.396
  675    H4*    G  63           H4*        G  63   2.391 -18.693   7.216
  676    H3*    G  63           H3*        G  63   4.967 -19.753   6.079
  677    H2*    G  63           H2*        G  63   4.583 -18.758   3.994
  678   2HO*    G  63          2HO*        G  63   2.029 -17.829   4.358
  679    H1*    G  63           H1*        G  63   3.404 -16.413   4.825
  680    H8     G  63           H8         G  63   6.221 -16.914   7.216
  681    H1     G  63           H1         G  63   8.291 -15.168   1.417
  682   1H2     G  63          1H2         G  63   6.642 -15.267  -0.037
  683   2H2     G  63          2H2         G  63   5.027 -15.775   0.404
  684   1H5*    A  64          1H5*        A  64   6.010 -23.277   5.399
  685   2H5*    A  64          2H5*        A  64   6.727 -21.733   4.891
  686    H4*    A  64           H4*        A  64   7.245 -23.898   3.531
  687    H3*    A  64           H3*        A  64   6.655 -21.161   2.478
  688    H2*    A  64           H2*        A  64   6.335 -21.871   0.272
  689   2HO*    A  64          2HO*        A  64   7.547 -24.359   0.956
  690    H1*    A  64           H1*        A  64   5.095 -24.265   0.693
  691    H8     A  64           H8         A  64   3.882 -21.691   3.229
  692   1H6     A  64          1H6         A  64  -0.271 -19.997  -1.009
  693   2H6     A  64          2H6         A  64   0.254 -19.807   0.649
  694    H2     A  64           H2         A  64   2.576 -22.882  -2.949
  695   1H5*    A  65          1H5*        A  65   9.595 -19.611  -0.718
  696   2H5*    A  65          2H5*        A  65   8.437 -18.456  -0.027
  697    H4*    A  65           H4*        A  65   8.262 -20.085  -2.469
  698    H3*    A  65           H3*        A  65   7.103 -17.506  -1.459
  699    H2*    A  65           H2*        A  65   5.106 -17.764  -2.633
  700   2HO*    A  65          2HO*        A  65   5.255 -19.719  -4.281
  701    H1*    A  65           H1*        A  65   4.818 -20.499  -2.524
  702    H8     A  65           H8         A  65   5.706 -19.885   0.959
  703   1H6     A  65          1H6         A  65   0.100 -17.468   1.886
  704   2H6     A  65          2H6         A  65   1.546 -18.086   2.654
  705    H2     A  65           H2         A  65   0.759 -17.772  -2.552
  706   1H5*    A  66          1H5*        A  66   7.056 -15.610  -6.562
  707   2H5*    A  66          2H5*        A  66   7.037 -14.274  -5.393
  708    H4*    A  66           H4*        A  66   4.982 -14.995  -7.136
  709    H3*    A  66           H3*        A  66   5.200 -13.143  -4.787
  710    H2*    A  66           H2*        A  66   2.881 -13.050  -4.450
  711   2HO*    A  66          2HO*        A  66   1.399 -13.725  -6.063
  712    H1*    A  66           H1*        A  66   2.221 -15.634  -4.979
  713    H8     A  66           H8         A  66   5.580 -15.311  -3.167
  714   1H6     A  66          1H6         A  66   2.332 -15.694   2.074
  715   2H6     A  66          2H6         A  66   3.940 -15.696   1.380
  716    H2     A  66           H2         A  66  -0.581 -15.337  -1.348
  717   1H5*    C  67          1H5*        C  67   2.659 -11.362  -5.927
  718   2H5*    C  67          2H5*        C  67   2.809  -9.617  -6.215
  719    H4*    C  67           H4*        C  67   1.285 -10.014  -4.365
  720    H3*    C  67           H3*        C  67   3.953  -8.808  -3.612
  721    H2*    C  67           H2*        C  67   3.323  -8.801  -1.346
  722   2HO*    C  67          2HO*        C  67   0.766  -8.697  -2.431
  723    H1*    C  67           H1*        C  67   1.919 -11.187  -1.331
  724   1H4     C  67          1H4         C  67   7.636 -12.714   1.004
  725   2H4     C  67          2H4         C  67   8.371 -12.527  -0.572
  726    H5     C  67           H5         C  67   7.157 -11.769  -2.511
  727    H6     C  67           H6         C  67   4.978 -11.041  -3.361
  728   1H5*    U  68          1H5*        U  68   1.086  -7.253  -1.356
  729   2H5*    U  68          2H5*        U  68   1.097  -5.481  -1.265
  730    H4*    U  68           H4*        U  68   1.081  -6.526   0.972
  731    H3*    U  68           H3*        U  68   3.531  -4.931   0.193
  732    H2*    U  68           H2*        U  68   4.522  -5.422   2.264
  733   2HO*    U  68          2HO*        U  68   1.980  -6.253   3.249
  734    H1*    U  68           H1*        U  68   3.397  -7.974   2.619
  735    H3     U  68           H3         U  68   7.821  -8.888   2.577
  736    H5     U  68           H5         U  68   6.950  -7.875  -1.421
  737    H6     U  68           H6         U  68   4.719  -7.249  -0.707
  738   1H5*    U  69          1H5*        U  69   2.307  -4.157   3.712
  739   2H5*    U  69          2H5*        U  69   1.831  -2.538   4.264
  740    H4*    U  69           H4*        U  69   3.182  -3.326   6.003
  741    H3*    U  69           H3*        U  69   4.894  -1.683   4.125
  742    H2*    U  69           H2*        U  69   6.769  -2.176   5.415
  743   2HO*    U  69          2HO*        U  69   4.970  -2.805   7.533
  744    H1*    U  69           H1*        U  69   5.957  -4.718   6.324
  745    H3     U  69           H3         U  69   9.835  -5.752   4.268
  746    H5     U  69           H5         U  69   7.447  -4.247   1.143
  747    H6     U  69           H6         U  69   5.742  -3.722   2.783
  748   1H5*    G  70          1H5*        G  70   5.734  -0.964   7.946
  749   2H5*    G  70          2H5*        G  70   6.163   0.697   8.401
  750    H4*    G  70           H4*        G  70   7.951  -0.880   8.980
  751    H3*    G  70           H3*        G  70   8.580   1.098   6.772
  752    H2*    G  70           H2*        G  70  10.710   0.170   6.590
  753   2HO*    G  70          2HO*        G  70  10.334  -0.320   9.314
  754    H1*    G  70           H1*        G  70  10.021  -2.442   7.495
  755    H8     G  70           H8         G  70   8.264  -0.973   4.394
  756    H1     G  70           H1         G  70  13.620  -4.269   3.201
  757   1H2     G  70          1H2         G  70  14.624  -4.788   5.110
  758   2H2     G  70          2H2         G  70  13.974  -4.324   6.666
  759   1H5*    G  71          1H5*        G  71  11.441   1.380  10.649
  760   2H5*    G  71          2H5*        G  71  11.440   3.146  10.830
  761    H4*    G  71           H4*        G  71  13.662   2.522  11.271
  762    H3*    G  71           H3*        G  71  13.354   3.487   8.432
  763    H2*    G  71           H2*        G  71  15.608   2.976   7.956
  764   2HO*    G  71          2HO*        G  71  17.030   2.324   9.754
  765    H1*    G  71           H1*        G  71  15.759   0.589   9.274
  766    H8     G  71           H8         G  71  12.345   1.120   7.648
  767    H1     G  71           H1         G  71  16.769  -1.177   3.633
  768   1H2     G  71          1H2         G  71  18.754  -1.222   4.638
  769   2H2     G  71          2H2         G  71  18.989  -0.658   6.277
  770   1H5*    U  72          1H5*        U  72  16.651   5.358   9.426
  771   2H5*    U  72          2H5*        U  72  16.632   7.117   9.186
  772    H4*    U  72           H4*        U  72  18.487   6.183   7.949
  773    H3*    U  72           H3*        U  72  16.173   7.121   6.244
  774    H2*    U  72           H2*        U  72  17.241   6.370   4.317
  775   2HO*    U  72          2HO*        U  72  19.696   6.388   5.766
  776    H1*    U  72           H1*        U  72  18.716   4.256   5.475
  777    H3     U  72           H3         U  72  16.350   2.345   2.114
  778    H5     U  72           H5         U  72  13.462   3.197   5.068
  779    H6     U  72           H6         U  72  15.182   4.369   6.314
  780   1H5*    U  73          1H5*        U  73  20.105   8.719   4.633
  781   2H5*    U  73          2H5*        U  73  19.761  10.423   4.274
  782    H4*    U  73           H4*        U  73  20.893   9.329   2.390
  783    H3*    U  73           H3*        U  73  18.024  10.183   1.948
  784    H2*    U  73           H2*        U  73  18.140   9.382  -0.267
  785   2HO*    U  73          2HO*        U  73  20.947   9.017   0.016
  786    H1*    U  73           H1*        U  73  19.593   7.098   0.254
  787    H3     U  73           H3         U  73  15.517   5.493  -0.823
  788    H5     U  73           H5         U  73  14.982   7.122   3.028
  789    H6     U  73           H6         U  73  17.237   8.011   2.888
  790   1H5*    C  74          1H5*        C  74  20.276  11.029  -1.283
  791   2H5*    C  74          2H5*        C  74  19.995  12.619  -2.020
  792    H4*    C  74           H4*        C  74  19.747  10.825  -3.673
  793    H3*    C  74           H3*        C  74  17.169  12.241  -2.927
  794    H2*    C  74           H2*        C  74  16.085  10.926  -4.564
  795   2HO*    C  74          2HO*        C  74  18.570  10.007  -5.568
  796    H1*    C  74           H1*        C  74  17.592   8.605  -4.145
  797   1H4     C  74          1H4         C  74  12.107   7.353  -1.225
  798   2H4     C  74          2H4         C  74  12.490   8.474   0.063
  799    H5     C  74           H5         C  74  14.461   9.872   0.055
  800    H6     C  74           H6         C  74  16.488  10.475  -1.183
  801   1H5*    U  75          1H5*        U  75  17.832  13.172  -6.863
  802   2H5*    U  75          2H5*        U  75  17.045  14.590  -7.583
  803    H4*    U  75           H4*        U  75  16.004  12.428  -8.264
  804    H3*    U  75           H3*        U  75  14.295  14.366  -6.670
  805    H2*    U  75           H2*        U  75  12.517  12.860  -6.845
  806   2HO*    U  75          2HO*        U  75  12.115  12.068  -8.742
  807    H1*    U  75           H1*        U  75  14.110  10.503  -7.021
  808    H3     U  75           H3         U  75  11.208   9.566  -3.689
  809    H5     U  75           H5         U  75  13.734  12.515  -2.043
  810    H6     U  75           H6         U  75  14.758  12.760  -4.231
  811   1H5*    U  76          1H5*        U  76  12.757  13.746 -10.591
  812   2H5*    U  76          2H5*        U  76  12.291  15.185 -11.520
  813    H4*    U  76           H4*        U  76  10.495  13.644 -11.735
  814    H3*    U  76           H3*        U  76   9.918  15.868  -9.788
  815    H2*    U  76           H2*        U  76   7.890  14.906  -9.153
  816   2HO*    U  76          2HO*        U  76   6.617  14.087 -10.610
  817    H1*    U  76           H1*        U  76   8.563  12.213  -9.458
  818    H3     U  76           H3         U  76   7.690  12.447  -5.027
  819    H5     U  76           H5         U  76  11.274  14.620  -5.469
  820    H6     U  76           H6         U  76  11.052  14.376  -7.871
  821   1H5*    C  77          1H5*        C  77   5.332  17.776 -11.645
  822   2H5*    C  77          2H5*        C  77   6.087  17.794 -10.038
  823    H4*    C  77           H4*        C  77   4.113  15.748 -11.107
  824    H3*    C  77           H3*        C  77   3.855  18.051  -9.199
  825    H2*    C  77           H2*        C  77   2.748  16.791  -7.580
  826   2HO*    C  77          2HO*        C  77   2.204  14.684  -9.388
  827    H1*    C  77           H1*        C  77   3.893  14.301  -8.026
  828   1H4     C  77          1H4         C  77   6.650  16.706  -2.789
  829   2H4     C  77          2H4         C  77   7.957  17.297  -3.789
  830    H5     C  77           H5         C  77   7.920  17.207  -6.196
  831    H6     C  77           H6         C  77   6.630  16.515  -8.164
  832   1H5*    C  78          1H5*        C  78  -1.060  19.239  -8.722
  833   2H5*    C  78          2H5*        C  78   0.373  19.716  -7.790
  834    H4*    C  78           H4*        C  78  -1.634  17.536  -7.174
  835    H3*    C  78           H3*        C  78  -0.792  20.103  -5.855
  836    H2*    C  78           H2*        C  78  -0.754  19.154  -3.736
  837   2HO*    C  78          2HO*        C  78  -1.931  17.026  -3.469
  838    H1*    C  78           H1*        C  78  -0.159  16.496  -4.423
  839   1H4     C  78          1H4         C  78   5.093  18.918  -1.706
  840   2H4     C  78          2H4         C  78   5.652  19.400  -3.291
  841    H5     C  78           H5         C  78   4.304  19.221  -5.279
  842    H6     C  78           H6         C  78   2.133  18.530  -6.181
  843   1H5*    U  79          1H5*        U  79  -3.935  23.161  -4.940
  844   2H5*    U  79          2H5*        U  79  -2.418  23.457  -4.067
  845    H4*    U  79           H4*        U  79  -4.768  21.758  -3.319
  846    H3*    U  79           H3*        U  79  -3.127  23.883  -2.042
  847    H2*    U  79           H2*        U  79  -2.792  22.790  -0.023
  848   2HO*    U  79          2HO*        U  79  -5.316  22.161  -0.336
  849    H1*    U  79           H1*        U  79  -2.771  20.155  -0.798
  850    H3     U  79           H3         U  79   1.371  21.609   0.747
  851    H5     U  79           H5         U  79   1.385  22.029  -3.446
  852    H6     U  79           H6         U  79  -1.002  21.594  -3.432
  853   1H5*    A  80          1H5*        A  80  -5.275  23.508   0.867
  854   2H5*    A  80          2H5*        A  80  -6.512  24.747   1.161
  855    H4*    A  80           H4*        A  80  -5.253  24.395   3.196
  856    H3*    A  80           H3*        A  80  -5.605  26.918   2.179
  857    H2*    A  80           H2*        A  80  -3.526  27.286   1.180
  858   2HO*    A  80          2HO*        A  80  -3.529  28.052   3.792
  859    H1*    A  80           H1*        A  80  -1.920  25.736   3.146
  860    H8     A  80           H8         A  80  -3.021  25.873  -0.591
  861   1H6     A  80          1H6         A  80   2.885  24.546  -1.825
  862   2H6     A  80          2H6         A  80   1.322  24.925  -2.513
  863    H2     A  80           H2         A  80   2.374  24.557   2.640
  864   1H5*    A  81          1H5*        A  81  -7.012  26.601   6.956
  865   2H5*    A  81          2H5*        A  81  -6.964  28.258   7.591
  866    H4*    A  81           H4*        A  81  -6.323  26.708   9.341
  867    H3*    A  81           H3*        A  81  -4.216  28.542   8.264
  868    H2*    A  81           H2*        A  81  -2.459  27.446   9.320
  869   2HO*    A  81          2HO*        A  81  -2.634  26.777  11.314
  870    H1*    A  81           H1*        A  81  -3.440  24.847   9.384
  871    H8     A  81           H8         A  81  -3.920  26.106   5.886
  872   1H6     A  81          1H6         A  81   2.014  24.720   4.858
  873   2H6     A  81          2H6         A  81   0.498  25.186   4.120
  874    H2     A  81           H2         A  81   1.270  24.423   9.280
  875   1H5*    G  82          1H5*        G  82  -1.930  31.403  11.416
  876   2H5*    G  82          2H5*        G  82  -1.940  30.852   9.728
  877    H4*    G  82           H4*        G  82  -0.491  29.502  12.033
  878    H3*    G  82           H3*        G  82   0.411  31.486   9.988
  879    H2*    G  82           H2*        G  82   2.226  30.220   9.259
  880   2HO*    G  82          2HO*        G  82   2.009  28.864  11.754
  881    H1*    G  82           H1*        G  82   1.226  27.678   9.532
  882    H8     G  82           H8         G  82  -1.647  29.447   8.030
  883    H1     G  82           H1         G  82   3.075  28.583   3.791
  884   1H2     G  82          1H2         G  82   4.936  27.989   4.840
  885   2H2     G  82          2H2         G  82   5.016  27.803   6.578
  886   1H5*    U  83          1H5*        U  83   4.110  31.373  12.010
  887   2H5*    U  83          2H5*        U  83   4.464  33.035  12.528
  888    H4*    U  83           H4*        U  83   6.264  32.176  11.120
  889    H3*    U  83           H3*        U  83   4.598  34.443  10.068
  890    H2*    U  83           H2*        U  83   5.560  34.351   7.945
  891   2HO*    U  83          2HO*        U  83   7.601  32.692   8.085
  892    H1*    U  83           H1*        U  83   6.012  31.632   7.737
  893    H3     U  83           H3         U  83   2.907  32.432   4.532
  894    H5     U  83           H5         U  83   0.744  32.625   8.144
  895    H6     U  83           H6         U  83   2.848  32.445   9.340
  896   1H5*    C  84          1H5*        C  84   8.137  34.882   9.003
  897   2H5*    C  84          2H5*        C  84   9.181  36.263   9.399
  898    H4*    C  84           H4*        C  84   9.398  35.948   7.059
  899    H3*    C  84           H3*        C  84   7.538  38.222   7.741
  900    H2*    C  84           H2*        C  84   6.964  38.522   5.503
  901   2HO*    C  84          2HO*        C  84   8.341  37.642   3.808
  902    H1*    C  84           H1*        C  84   7.265  35.870   4.624
  903   1H4     C  84          1H4         C  84   0.978  36.758   4.735
  904   2H4     C  84          2H4         C  84   0.977  36.802   6.484
  905    H5     C  84           H5         C  84   2.985  36.692   7.808
  906    H6     C  84           H6         C  84   5.430  36.525   7.743
  907   1H5*    C  85          1H5*        C  85  10.184  38.726   4.583
  908   2H5*    C  85          2H5*        C  85  11.173  40.199   4.617
  909    H4*    C  85           H4*        C  85  10.406  39.840   2.358
  910    H3*    C  85           H3*        C  85   9.053  42.124   3.799
  911    H2*    C  85           H2*        C  85   7.705  42.543   1.919
  912   2HO*    C  85          2HO*        C  85   8.601  40.857   0.055
  913    H1*    C  85           H1*        C  85   7.278  39.924   1.156
  914   1H4     C  85          1H4         C  85   2.090  41.435   4.517
  915   2H4     C  85          2H4         C  85   2.999  41.364   6.010
  916    H5     C  85           H5         C  85   5.370  40.966   6.095
  917    H6     C  85           H6         C  85   7.390  40.552   4.769
  918   1H5*    U  86          1H5*        U  86   9.440  42.976  -0.005
  919   2H5*    U  86          2H5*        U  86  10.149  44.564  -0.358
  920    H4*    U  86           H4*        U  86   7.984  44.197  -1.510
  921    H3*    U  86           H3*        U  86   8.343  46.439   0.429
  922    H2*    U  86           H2*        U  86   6.114  46.683   0.824
  923   2HO*    U  86          2HO*        U  86   5.460  46.186  -1.881
  924    H1*    U  86           H1*        U  86   5.267  44.412  -0.884
  925    H3     U  86           H3         U  86   1.697  44.460   1.848
  926    H5     U  86           H5         U  86   4.942  43.852   4.472
  927    H6     U  86           H6         U  86   6.434  44.188   2.586
  928    H3T    U  86           H3T        U  86   9.063  46.871  -1.567
  929   1HN1  NCO 101          1HN1      NCO 101 -12.948  11.994   5.130
  930   2HN1  NCO 101          2HN1      NCO 101 -11.809  11.429   4.099
  931   3HN1  NCO 101          3HN1      NCO 101 -13.279  10.709   4.171
  932   1HN2  NCO 101          1HN2      NCO 101 -10.226  11.773   6.403
  933   2HN2  NCO 101          2HN2      NCO 101 -11.653  12.254   7.043
  934   3HN2  NCO 101          3HN2      NCO 101 -10.686  11.230   7.877
  935   1HN3  NCO 101          1HN3      NCO 101 -10.041   8.639   5.119
  936   2HN3  NCO 101          2HN3      NCO 101 -10.479   9.826   4.081
  937   3HN3  NCO 101          3HN3      NCO 101  -9.538  10.177   5.374
  938   1HN4  NCO 101          1HN4      NCO 101 -13.635   8.770   4.802
  939   2HN4  NCO 101          2HN4      NCO 101 -12.186   8.043   4.562
  940   3HN4  NCO 101          3HN4      NCO 101 -13.031   7.753   5.935
  941   1HN5  NCO 101          1HN5      NCO 101 -13.541  11.283   7.426
  942   2HN5  NCO 101          2HN5      NCO 101 -14.331  10.107   6.605
  943   3HN5  NCO 101          3HN5      NCO 101 -13.525   9.744   7.983
  944   1HN6  NCO 101          1HN6      NCO 101 -10.342   9.131   7.870
  945   2HN6  NCO 101          2HN6      NCO 101 -11.083   7.851   7.167
  946   3HN6  NCO 101          3HN6      NCO 101 -11.877   8.743   8.288
  947   1HN1  NCO 102          1HN1      NCO 102  -8.805 -16.146  -2.406
  948   2HN1  NCO 102          2HN1      NCO 102  -9.504 -14.794  -1.803
  949   3HN1  NCO 102          3HN1      NCO 102  -8.305 -14.670  -2.910
  950   1HN2  NCO 102          1HN2      NCO 102 -11.527 -13.388  -2.836
  951   2HN2  NCO 102          2HN2      NCO 102 -10.086 -12.881  -3.430
  952   3HN2  NCO 102          3HN2      NCO 102 -11.390 -12.979  -4.416
  953   1HN3  NCO 102          1HN3      NCO 102 -12.292 -15.129  -2.419
  954   2HN3  NCO 102          2HN3      NCO 102 -11.321 -16.393  -2.043
  955   3HN3  NCO 102          3HN3      NCO 102 -12.414 -16.532  -3.253
  956   1HN4  NCO 102          1HN4      NCO 102 -10.690 -17.552  -4.974
  957   2HN4  NCO 102          2HN4      NCO 102  -9.115 -17.111  -5.055
  958   3HN4  NCO 102          3HN4      NCO 102  -9.755 -17.599  -3.630
  959   1HN5  NCO 102          1HN5      NCO 102  -8.829 -13.667  -5.094
  960   2HN5  NCO 102          2HN5      NCO 102  -9.440 -14.639  -6.260
  961   3HN5  NCO 102          3HN5      NCO 102  -8.264 -15.193  -5.264
  962   1HN6  NCO 102          1HN6      NCO 102 -11.887 -16.201  -5.863
  963   2HN6  NCO 102          2HN6      NCO 102 -11.513 -14.651  -6.233
  964   3HN6  NCO 102          3HN6      NCO 102 -12.674 -14.970  -5.124
  965   1HN1  NCO 103          1HN1      NCO 103  10.042 -10.638   0.053
  966   2HN1  NCO 103          2HN1      NCO 103  10.727  -9.161   0.229
  967   3HN1  NCO 103          3HN1      NCO 103  11.265 -10.181  -0.933
  968   1HN2  NCO 103          1HN2      NCO 103  14.541 -10.312   0.606
  969   2HN2  NCO 103          2HN2      NCO 103  13.570  -9.024   0.319
  970   3HN2  NCO 103          3HN2      NCO 103  13.577 -10.293  -0.718
  971   1HN3  NCO 103          1HN3      NCO 103  12.026 -13.279   0.656
  972   2HN3  NCO 103          2HN3      NCO 103  13.319 -12.621  -0.104
  973   3HN3  NCO 103          3HN3      NCO 103  11.810 -12.356  -0.681
  974   1HN4  NCO 103          1HN4      NCO 103   9.910 -11.688   1.734
  975   2HN4  NCO 103          2HN4      NCO 103  10.612 -11.230   3.140
  976   3HN4  NCO 103          3HN4      NCO 103  10.988 -12.676   2.471
  977   1HN5  NCO 103          1HN5      NCO 103  11.294  -8.690   2.014
  978   2HN5  NCO 103          2HN5      NCO 103  11.831  -9.517   3.322
  979   3HN5  NCO 103          3HN5      NCO 103  12.894  -8.743   2.348
  980   1HN6  NCO 103          1HN6      NCO 103  14.322 -10.996   2.584
  981   2HN6  NCO 103          2HN6      NCO 103  13.124 -11.733   3.424
  982   3HN6  NCO 103          3HN6      NCO 103  13.852 -12.510   2.179
  983   1HN1  NCO 104          1HN1      NCO 104  11.248  17.859   1.951
  984   2HN1  NCO 104          2HN1      NCO 104   9.852  17.271   2.570
  985   3HN1  NCO 104          3HN1      NCO 104   9.823  18.569   1.572
  986   1HN2  NCO 104          1HN2      NCO 104  11.290  18.476  -0.706
  987   2HN2  NCO 104          2HN2      NCO 104   9.676  18.692  -0.884
  988   3HN2  NCO 104          3HN2      NCO 104  10.490  17.724  -1.922
  989   1HN3  NCO 104          1HN3      NCO 104   7.923  17.279  -0.725
  990   2HN3  NCO 104          2HN3      NCO 104   7.649  16.029   0.294
  991   3HN3  NCO 104          3HN3      NCO 104   7.936  17.526   0.894
  992   1HN4  NCO 104          1HN4      NCO 104   8.845  15.077   1.818
  993   2HN4  NCO 104          2HN4      NCO 104  10.449  14.972   2.131
  994   3HN4  NCO 104          3HN4      NCO 104   9.798  14.127   0.886
  995   1HN5  NCO 104          1HN5      NCO 104  12.184  15.340   0.884
  996   2HN5  NCO 104          2HN5      NCO 104  12.358  15.928  -0.634
  997   3HN5  NCO 104          3HN5      NCO 104  12.496  16.931   0.652
  998   1HN6  NCO 104          1HN6      NCO 104  10.618  14.633  -1.357
  999   2HN6  NCO 104          2HN6      NCO 104   9.974  15.880  -2.200
 1000   3HN6  NCO 104          3HN6      NCO 104   9.001  14.882  -1.343
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   2.885 -47.722  -4.306
    2   2H5*    G   1          2H5*        G   1   3.746 -46.349  -5.032
    3    H4*    G   1           H4*        G   1   2.349 -47.284  -6.732
    4    H3*    G   1           H3*        G   1   1.407 -44.667  -5.605
    5    H2*    G   1           H2*        G   1  -0.647 -44.758  -6.713
    6   2HO*    G   1          2HO*        G   1  -0.986 -46.143  -8.515
    7    H1*    G   1           H1*        G   1  -1.132 -47.462  -6.607
    8    H8     G   1           H8         G   1   0.173 -46.629  -3.215
    9    H1     G   1           H1         G   1  -5.838 -44.587  -4.053
   10   1H2     G   1          1H2         G   1  -6.390 -44.714  -6.197
   11   2H2     G   1          2H2         G   1  -5.285 -45.299  -7.420
   12    H5T    G   1           H5T        G   1   2.644 -46.144  -2.857
   13   1H5*    G   2          1H5*        G   2   0.008 -44.688  -9.187
   14   2H5*    G   2          2H5*        G   2   0.547 -43.331 -10.196
   15    H4*    G   2           H4*        G   2  -1.887 -43.497 -10.228
   16    H3*    G   2           H3*        G   2  -0.732 -41.100  -8.795
   17    H2*    G   2           H2*        G   2  -2.865 -40.398  -8.175
   18   2HO*    G   2          2HO*        G   2  -3.888 -41.994 -10.305
   19    H1*    G   2           H1*        G   2  -4.116 -42.947  -8.126
   20    H8     G   2           H8         G   2  -1.068 -42.764  -5.889
   21    H1     G   2           H1         G   2  -6.379 -40.419  -3.187
   22   1H2     G   2          1H2         G   2  -7.982 -40.224  -4.714
   23   2H2     G   2          2H2         G   2  -7.743 -40.670  -6.388
   24   1H5*    G   3          1H5*        G   3  -3.548 -39.938 -10.936
   25   2H5*    G   3          2H5*        G   3  -3.365 -38.812 -12.296
   26    H4*    G   3           H4*        G   3  -5.207 -37.967 -11.122
   27    H3*    G   3           H3*        G   3  -2.704 -36.494 -10.295
   28    H2*    G   3           H2*        G   3  -3.864 -35.340  -8.644
   29   2HO*    G   3          2HO*        G   3  -6.289 -35.908 -10.029
   30    H1*    G   3           H1*        G   3  -5.917 -37.253  -8.181
   31    H8     G   3           H8         G   3  -2.243 -38.310  -7.745
   32    H1     G   3           H1         G   3  -5.039 -36.031  -2.454
   33   1H2     G   3          1H2         G   3  -7.054 -35.228  -2.954
   34   2H2     G   3          2H2         G   3  -7.697 -35.255  -4.579
   35   1H5*    A   4          1H5*        A   4  -6.184 -34.211 -10.842
   36   2H5*    A   4          2H5*        A   4  -5.976 -32.813 -11.915
   37    H4*    A   4           H4*        A   4  -7.311 -32.172  -9.990
   38    H3*    A   4           H3*        A   4  -4.536 -31.015 -10.153
   39    H2*    A   4           H2*        A   4  -4.712 -30.036  -8.049
   40   2HO*    A   4          2HO*        A   4  -7.503 -30.124  -8.540
   41    H1*    A   4           H1*        A   4  -6.457 -31.876  -6.844
   42    H8     A   4           H8         A   4  -3.233 -33.067  -8.628
   43   1H6     A   4          1H6         A   4  -0.682 -33.005  -3.006
   44   2H6     A   4          2H6         A   4  -0.441 -33.409  -4.690
   45    H2     A   4           H2         A   4  -4.842 -31.338  -2.654
   46   1H5*    U   5          1H5*        U   5  -7.149 -28.238  -8.747
   47   2H5*    U   5          2H5*        U   5  -6.945 -26.592  -9.381
   48    H4*    U   5           H4*        U   5  -6.834 -26.688  -6.905
   49    H3*    U   5           H3*        U   5  -4.456 -25.738  -8.484
   50    H2*    U   5           H2*        U   5  -3.080 -25.694  -6.620
   51   2HO*    U   5          2HO*        U   5  -3.748 -24.797  -4.836
   52    H1*    U   5           H1*        U   5  -4.415 -27.617  -5.018
   53    H3     U   5           H3         U   5  -0.293 -29.422  -5.013
   54    H5     U   5           H5         U   5  -1.403 -29.528  -9.077
   55    H6     U   5           H6         U   5  -3.420 -28.316  -8.492
   56   1H5*    A   6          1H5*        A   6  -7.149 -23.703  -6.111
   57   2H5*    A   6          2H5*        A   6  -7.971 -22.172  -6.472
   58    H4*    A   6           H4*        A   6  -7.815 -22.881  -4.011
   59    H3*    A   6           H3*        A   6  -7.835 -20.313  -5.113
   60    H2*    A   6           H2*        A   6  -5.563 -19.808  -4.826
   61   2HO*    A   6          2HO*        A   6  -6.755 -19.436  -2.272
   62    H1*    A   6           H1*        A   6  -5.395 -21.428  -2.294
   63    H8     A   6           H8         A   6  -3.724 -20.986  -5.797
   64   1H6     A   6          1H6         A   6   1.598 -21.406  -2.680
   65   2H6     A   6          2H6         A   6   0.872 -21.155  -4.250
   66    H2     A   6           H2         A   6  -1.765 -21.919   0.251
   67   1H5*    U   7          1H5*        U   7 -10.166 -19.695  -0.371
   68   2H5*    U   7          2H5*        U   7  -8.595 -19.958  -1.155
   69    H4*    U   7           H4*        U   7  -9.677 -21.074   1.403
   70    H3*    U   7           H3*        U   7  -7.573 -19.328   0.802
   71    H2*    U   7           H2*        U   7  -6.050 -20.895  -0.033
   72   2HO*    U   7          2HO*        U   7  -5.823 -21.666   2.689
   73    H1*    U   7           H1*        U   7  -7.068 -23.076   1.768
   74    H3     U   7           H3         U   7  -7.143 -25.926  -2.189
   75    H5     U   7           H5         U   7  -3.472 -23.918  -1.678
   76    H6     U   7           H6         U   7  -4.552 -22.501  -0.030
   77   1H5*    G   8          1H5*        G   8  -5.350 -17.012   2.855
   78   2H5*    G   8          2H5*        G   8  -5.511 -17.744   1.248
   79    H4*    G   8           H4*        G   8  -3.138 -18.299   3.044
   80    H3*    G   8           H3*        G   8  -3.619 -15.909   1.298
   81    H2*    G   8           H2*        G   8  -1.599 -16.129   0.157
   82   2HO*    G   8          2HO*        G   8  -0.579 -17.973   2.046
   83    H1*    G   8           H1*        G   8  -1.335 -18.879   0.143
   84    H8     G   8           H8         G   8  -4.885 -18.250  -0.779
   85    H1     G   8           H1         G   8  -0.898 -16.940  -5.606
   86   1H2     G   8          1H2         G   8   1.190 -16.901  -4.880
   87   2H2     G   8          2H2         G   8   1.612 -17.197  -3.209
   88   1H5*    G   9          1H5*        G   9  -2.979 -11.867   2.285
   89   2H5*    G   9          2H5*        G   9  -3.862 -12.255   0.795
   90    H4*    G   9           H4*        G   9  -0.937 -11.925   1.265
   91    H3*    G   9           H3*        G   9  -2.929 -11.114  -0.814
   92    H2*    G   9           H2*        G   9  -1.493 -11.506  -2.620
   93   2HO*    G   9          2HO*        G   9   0.747 -11.819  -0.915
   94    H1*    G   9           H1*        G   9  -0.220 -13.745  -1.770
   95    H8     G   9           H8         G   9  -3.504 -14.636  -0.499
   96    H1     G   9           H1         G   9  -3.579 -14.512  -6.898
   97   1H2     G   9          1H2         G   9  -1.782 -13.431  -7.656
   98   2H2     G   9          2H2         G   9  -0.560 -12.773  -6.592
   99   1H5*    A  10          1H5*        A  10   0.073  -8.071  -1.052
  100   2H5*    A  10          2H5*        A  10  -0.481  -6.399  -0.829
  101    H4*    A  10           H4*        A  10   0.624  -6.610  -2.980
  102    H3*    A  10           H3*        A  10  -2.346  -6.146  -3.013
  103    H2*    A  10           H2*        A  10  -2.483  -6.430  -5.326
  104   2HO*    A  10          2HO*        A  10   0.299  -6.334  -5.734
  105    H1*    A  10           H1*        A  10  -0.487  -8.326  -5.676
  106    H8     A  10           H8         A  10  -2.548  -9.479  -2.771
  107   1H6     A  10          1H6         A  10  -6.636 -11.667  -6.846
  108   2H6     A  10          2H6         A  10  -6.156 -11.637  -5.165
  109    H2     A  10           H2         A  10  -3.692  -9.108  -9.082
  110   1H5*    A  11          1H5*        A  11  -0.442  -3.197  -5.560
  111   2H5*    A  11          2H5*        A  11  -1.170  -1.581  -5.463
  112    H4*    A  11           H4*        A  11  -1.092  -2.463  -7.782
  113    H3*    A  11           H3*        A  11  -3.769  -1.893  -6.509
  114    H2*    A  11           H2*        A  11  -4.894  -2.670  -8.426
  115   2HO*    A  11          2HO*        A  11  -2.491  -2.002  -9.669
  116    H1*    A  11           H1*        A  11  -3.258  -4.798  -9.014
  117    H8     A  11           H8         A  11  -3.708  -4.619  -5.256
  118   1H6     A  11          1H6         A  11  -8.980  -7.746  -6.086
  119   2H6     A  11          2H6         A  11  -7.840  -7.138  -4.906
  120    H2     A  11           H2         A  11  -7.452  -6.501 -10.124
  121   1H5*    G  12          1H5*        G  12  -4.305   0.759  -9.957
  122   2H5*    G  12          2H5*        G  12  -4.905   2.280  -9.268
  123    H4*    G  12           H4*        G  12  -6.483   1.309 -10.902
  124    H3*    G  12           H3*        G  12  -7.383   1.485  -8.018
  125    H2*    G  12           H2*        G  12  -9.443   0.513  -8.606
  126   2HO*    G  12          2HO*        G  12  -8.865   1.670 -11.059
  127    H1*    G  12           H1*        G  12  -8.496  -1.223 -10.558
  128    H8     G  12           H8         G  12  -6.333  -1.351  -7.438
  129    H1     G  12           H1         G  12 -11.683  -4.836  -7.015
  130   1H2     G  12          1H2         G  12 -13.010  -4.391  -8.743
  131   2H2     G  12          2H2         G  12 -12.578  -3.242  -9.986
  132   1H5*    A  13          1H5*        A  13 -10.539   2.330  -9.981
  133   2H5*    A  13          2H5*        A  13 -10.950   4.056  -9.916
  134    H4*    A  13           H4*        A  13 -13.028   3.142  -9.569
  135    H3*    A  13           H3*        A  13 -11.763   3.410  -6.841
  136    H2*    A  13           H2*        A  13 -13.547   2.268  -5.846
  137   2HO*    A  13          2HO*        A  13 -15.577   2.175  -6.718
  138    H1*    A  13           H1*        A  13 -14.115   0.493  -7.914
  139    H8     A  13           H8         A  13 -10.460   1.052  -6.751
  140   1H6     A  13          1H6         A  13 -11.319  -3.965  -3.256
  141   2H6     A  13          2H6         A  13 -10.163  -2.769  -3.795
  142    H2     A  13           H2         A  13 -15.233  -2.971  -5.230
  143   1H5*    A  14          1H5*        A  14 -16.131   4.520  -6.983
  144   2H5*    A  14          2H5*        A  14 -16.314   5.979  -5.989
  145    H4*    A  14           H4*        A  14 -17.992   4.223  -5.456
  146    H3*    A  14           H3*        A  14 -16.028   5.099  -3.339
  147    H2*    A  14           H2*        A  14 -16.833   3.510  -1.841
  148   2HO*    A  14          2HO*        A  14 -18.957   3.781  -1.738
  149    H1*    A  14           H1*        A  14 -17.576   1.530  -3.674
  150    H8     A  14           H8         A  14 -14.047   3.090  -3.882
  151   1H6     A  14          1H6         A  14 -12.260  -1.651  -0.353
  152   2H6     A  14          2H6         A  14 -11.729  -0.263  -1.274
  153    H2     A  14           H2         A  14 -16.741  -1.816  -0.728
  154   1H5*    C  15          1H5*        C  15 -20.387   5.288  -1.750
  155   2H5*    C  15          2H5*        C  15 -20.397   6.697  -0.671
  156    H4*    C  15           H4*        C  15 -21.380   4.709   0.405
  157    H3*    C  15           H3*        C  15 -18.796   5.767   1.570
  158    H2*    C  15           H2*        C  15 -18.834   4.062   3.191
  159   2HO*    C  15          2HO*        C  15 -20.645   3.425   4.049
  160    H1*    C  15           H1*        C  15 -19.880   2.044   1.590
  161   1H4     C  15          1H4         C  15 -13.644   0.827   1.628
  162   2H4     C  15          2H4         C  15 -13.325   2.237   0.646
  163    H5     C  15           H5         C  15 -15.036   3.790  -0.024
  164    H6     C  15           H6         C  15 -17.420   4.336   0.110
  165   1H5*    C  16          1H5*        C  16 -21.227   5.552   5.070
  166   2H5*    C  16          2H5*        C  16 -20.916   7.009   6.034
  167    H4*    C  16           H4*        C  16 -20.374   4.957   7.284
  168    H3*    C  16           H3*        C  16 -18.128   6.844   6.582
  169    H2*    C  16           H2*        C  16 -16.534   5.394   7.473
  170   2HO*    C  16          2HO*        C  16 -18.543   3.901   8.814
  171    H1*    C  16           H1*        C  16 -17.795   2.968   6.905
  172   1H4     C  16          1H4         C  16 -13.142   3.332   2.599
  173   2H4     C  16          2H4         C  16 -13.920   4.684   1.807
  174    H5     C  16           H5         C  16 -15.955   5.694   2.611
  175    H6     C  16           H6         C  16 -17.669   5.641   4.364
  176   1H5*    G  17          1H5*        G  17 -18.552   6.093  11.344
  177   2H5*    G  17          2H5*        G  17 -18.227   7.730  11.947
  178    H4*    G  17           H4*        G  17 -17.084   6.096  13.338
  179    H3*    G  17           H3*        G  17 -15.344   7.868  11.634
  180    H2*    G  17           H2*        G  17 -13.400   6.725  12.286
  181   2HO*    G  17          2HO*        G  17 -14.831   6.340  14.569
  182    H1*    G  17           H1*        G  17 -14.400   4.170  12.353
  183    H8     G  17           H8         G  17 -15.817   6.055   9.390
  184    H1     G  17           H1         G  17  -9.999   3.622   8.296
  185   1H2     G  17          1H2         G  17  -9.125   2.860  10.201
  186   2H2     G  17          2H2         G  17  -9.973   2.957  11.729
  187   1H5*    G  18          1H5*        G  18 -13.148   7.216  14.931
  188   2H5*    G  18          2H5*        G  18 -12.794   8.749  15.753
  189    H4*    G  18           H4*        G  18 -10.746   7.451  15.437
  190    H3*    G  18           H3*        G  18 -11.009  10.010  13.861
  191    H2*    G  18           H2*        G  18  -9.048   9.589  12.694
  192   2HO*    G  18          2HO*        G  18  -7.769   7.664  13.965
  193    H1*    G  18           H1*        G  18  -9.042   6.757  12.881
  194    H8     G  18           H8         G  18 -12.166   8.224  11.285
  195    H1     G  18           H1         G  18  -7.306   7.444   7.199
  196   1H2     G  18          1H2         G  18  -5.451   6.936   8.311
  197   2H2     G  18          2H2         G  18  -5.413   6.787  10.054
  198   1H5*    G  19          1H5*        G  19  -6.924   9.405  15.047
  199   2H5*    G  19          2H5*        G  19  -6.468  10.839  15.989
  200    H4*    G  19           H4*        G  19  -4.729  10.331  14.363
  201    H3*    G  19           H3*        G  19  -6.336  12.835  13.873
  202    H2*    G  19           H2*        G  19  -5.287  13.202  11.835
  203   2HO*    G  19          2HO*        G  19  -3.170  13.001  12.973
  204    H1*    G  19           H1*        G  19  -4.607  10.515  11.222
  205    H8     G  19           H8         G  19  -8.265  11.558  11.897
  206    H1     G  19           H1         G  19  -6.538  11.589   5.732
  207   1H2     G  19          1H2         G  19  -4.366  11.193   5.553
  208   2H2     G  19          2H2         G  19  -3.340  10.923   6.942
  209   1H5*    G  20          1H5*        G  20  -4.637  16.897  14.135
  210   2H5*    G  20          2H5*        G  20  -6.087  16.704  13.129
  211    H4*    G  20           H4*        G  20  -3.199  16.441  12.409
  212    H3*    G  20           H3*        G  20  -5.645  17.713  11.235
  213    H2*    G  20           H2*        G  20  -5.077  17.160   9.031
  214   2HO*    G  20          2HO*        G  20  -2.911  17.897   9.151
  215    H1*    G  20           H1*        G  20  -4.032  14.674   9.413
  216    H8     G  20           H8         G  20  -6.855  14.734  11.832
  217    H1     G  20           H1         G  20  -8.943  14.294   5.801
  218   1H2     G  20          1H2         G  20  -7.293  14.675   4.391
  219   2H2     G  20          2H2         G  20  -5.667  15.046   4.916
  220   1H5*    A  21          1H5*        A  21  -6.281  21.817  11.667
  221   2H5*    A  21          2H5*        A  21  -7.141  20.442  10.942
  222    H4*    A  21           H4*        A  21  -7.459  22.779   9.887
  223    H3*    A  21           H3*        A  21  -6.971  20.209   8.444
  224    H2*    A  21           H2*        A  21  -6.460  21.212   6.393
  225   2HO*    A  21          2HO*        A  21  -7.842  22.697   5.833
  226    H1*    A  21           H1*        A  21  -5.109  23.426   7.226
  227    H8     A  21           H8         A  21  -4.354  20.325   9.361
  228   1H6     A  21          1H6         A  21   0.312  19.288   5.460
  229   2H6     A  21          2H6         A  21  -0.449  18.799   6.956
  230    H2     A  21           H2         A  21  -2.135  22.679   3.811
  231   1H5*    A  22          1H5*        A  22  -9.837  18.876   5.303
  232   2H5*    A  22          2H5*        A  22  -8.453  17.793   5.545
  233    H4*    A  22           H4*        A  22  -8.718  20.219   3.851
  234    H3*    A  22           H3*        A  22  -7.413  17.535   3.654
  235    H2*    A  22           H2*        A  22  -5.484  18.315   2.620
  236   2HO*    A  22          2HO*        A  22  -6.899  19.526   1.066
  237    H1*    A  22           H1*        A  22  -5.254  20.822   3.743
  238    H8     A  22           H8         A  22  -5.797  19.186   6.866
  239   1H6     A  22          1H6         A  22  -0.356  16.306   6.399
  240   2H6     A  22          2H6         A  22  -1.655  16.759   7.479
  241    H2     A  22           H2         A  22  -1.422  17.913   2.339
  242   1H5*    A  23          1H5*        A  23  -8.122  16.944  -1.570
  243   2H5*    A  23          2H5*        A  23  -7.996  15.396  -0.711
  244    H4*    A  23           H4*        A  23  -6.154  16.476  -2.522
  245    H3*    A  23           H3*        A  23  -6.216  14.113  -0.699
  246    H2*    A  23           H2*        A  23  -3.894  13.919  -0.503
  247   2HO*    A  23          2HO*        A  23  -3.186  15.773  -2.442
  248    H1*    A  23           H1*        A  23  -3.159  16.530  -0.460
  249    H8     A  23           H8         A  23  -6.462  16.056   1.388
  250   1H6     A  23          1H6         A  23  -3.056  14.820   6.397
  251   2H6     A  23          2H6         A  23  -4.677  15.121   5.804
  252    H2     A  23           H2         A  23  -0.288  15.068   2.852
  253   1H5*    C  24          1H5*        C  24  -4.016  12.422  -2.922
  254   2H5*    C  24          2H5*        C  24  -4.317  10.702  -3.240
  255    H4*    C  24           H4*        C  24  -2.487  11.157  -1.579
  256    H3*    C  24           H3*        C  24  -4.895   9.505  -0.811
  257    H2*    C  24           H2*        C  24  -4.082   9.275   1.373
  258   2HO*    C  24          2HO*        C  24  -1.952   9.406   1.902
  259    H1*    C  24           H1*        C  24  -2.876  11.770   1.620
  260   1H4     C  24          1H4         C  24  -8.365  12.181   4.829
  261   2H4     C  24          2H4         C  24  -9.243  12.392   3.330
  262    H5     C  24           H5         C  24  -8.205  12.256   1.160
  263    H6     C  24           H6         C  24  -6.102  11.895  -0.042
  264   1H5*    U  25          1H5*        U  25  -1.884   7.835   0.693
  265   2H5*    U  25          2H5*        U  25  -1.597   6.098   0.467
  266    H4*    U  25           H4*        U  25  -1.620   6.648   2.840
  267    H3*    U  25           H3*        U  25  -3.943   5.001   1.830
  268    H2*    U  25           H2*        U  25  -4.926   5.027   3.947
  269   2HO*    U  25          2HO*        U  25  -3.284   5.867   5.721
  270    H1*    U  25           H1*        U  25  -3.871   7.507   4.830
  271    H3     U  25           H3         U  25  -8.337   8.042   5.346
  272    H5     U  25           H5         U  25  -7.732   8.236   1.179
  273    H6     U  25           H6         U  25  -5.431   7.574   1.549
  274   1H5*    U  26          1H5*        U  26  -2.437   3.702   5.111
  275   2H5*    U  26          2H5*        U  26  -1.621   2.130   5.227
  276    H4*    U  26           H4*        U  26  -2.821   2.123   7.193
  277    H3*    U  26           H3*        U  26  -4.599   0.901   5.081
  278    H2*    U  26           H2*        U  26  -6.380   0.794   6.588
  279   2HO*    U  26          2HO*        U  26  -5.244   1.467   8.944
  280    H1*    U  26           H1*        U  26  -5.828   3.100   8.052
  281    H3     U  26           H3         U  26  -9.749   4.355   6.241
  282    H5     U  26           H5         U  26  -7.277   3.774   2.879
  283    H6     U  26           H6         U  26  -5.538   2.984   4.375
  284   1H5*    G  27          1H5*        G  27  -5.004  -1.375   8.432
  285   2H5*    G  27          2H5*        G  27  -5.376  -3.082   8.123
  286    H4*    G  27           H4*        G  27  -7.208  -1.889   9.297
  287    H3*    G  27           H3*        G  27  -7.788  -2.942   6.515
  288    H2*    G  27           H2*        G  27  -9.964  -2.111   6.694
  289   2HO*    G  27          2HO*        G  27 -10.780  -1.545   8.888
  290    H1*    G  27           H1*        G  27  -9.365   0.029   8.468
  291    H8     G  27           H8         G  27  -7.569  -0.194   5.062
  292    H1     G  27           H1         G  27 -13.020   3.165   5.046
  293   1H2     G  27          1H2         G  27 -14.037   2.956   7.012
  294   2H2     G  27          2H2         G  27 -13.372   1.994   8.312
  295   1H5*    G  28          1H5*        G  28 -10.677  -5.085   9.458
  296   2H5*    G  28          2H5*        G  28 -10.561  -6.778   8.938
  297    H4*    G  28           H4*        G  28 -12.884  -6.280   9.186
  298    H3*    G  28           H3*        G  28 -11.984  -6.381   6.305
  299    H2*    G  28           H2*        G  28 -14.134  -5.773   5.568
  300   2HO*    G  28          2HO*        G  28 -15.908  -6.303   6.616
  301    H1*    G  28           H1*        G  28 -14.733  -3.947   7.532
  302    H8     G  28           H8         G  28 -11.118  -3.900   6.203
  303    H1     G  28           H1         G  28 -15.183  -0.153   2.972
  304   1H2     G  28          1H2         G  28 -17.252  -0.453   3.723
  305   2H2     G  28          2H2         G  28 -17.635  -1.594   4.993
  306   1H5*    U  29          1H5*        U  29 -15.709  -8.236   6.131
  307   2H5*    U  29          2H5*        U  29 -15.487  -9.812   5.347
  308    H4*    U  29           H4*        U  29 -17.231  -8.549   4.206
  309    H3*    U  29           H3*        U  29 -14.655  -8.884   2.653
  310    H2*    U  29           H2*        U  29 -15.552  -7.640   0.893
  311   2HO*    U  29          2HO*        U  29 -18.004  -8.579   1.909
  312    H1*    U  29           H1*        U  29 -17.253  -5.986   2.431
  313    H3     U  29           H3         U  29 -14.663  -3.004   0.219
  314    H5     U  29           H5         U  29 -11.997  -4.874   2.897
  315    H6     U  29           H6         U  29 -13.783  -6.396   3.509
  316   1H5*    U  30          1H5*        U  30 -18.400  -9.678   0.541
  317   2H5*    U  30          2H5*        U  30 -18.247 -11.135  -0.461
  318    H4*    U  30           H4*        U  30 -19.323  -9.311  -1.702
  319    H3*    U  30           H3*        U  30 -16.568 -10.136  -2.649
  320    H2*    U  30           H2*        U  30 -16.685  -8.526  -4.353
  321   2HO*    U  30          2HO*        U  30 -18.800  -7.481  -4.778
  322    H1*    U  30           H1*        U  30 -18.109  -6.590  -2.932
  323    H3     U  30           H3         U  30 -14.202  -4.485  -3.718
  324    H5     U  30           H5         U  30 -13.168  -7.509  -0.967
  325    H6     U  30           H6         U  30 -15.433  -8.364  -1.162
  326   1H5*    C  31          1H5*        C  31 -18.964  -9.770  -6.161
  327   2H5*    C  31          2H5*        C  31 -18.456 -11.035  -7.296
  328    H4*    C  31           H4*        C  31 -18.221  -8.692  -8.171
  329    H3*    C  31           H3*        C  31 -15.759 -10.443  -7.948
  330    H2*    C  31           H2*        C  31 -14.464  -8.692  -8.788
  331   2HO*    C  31          2HO*        C  31 -16.552  -7.091  -9.690
  332    H1*    C  31           H1*        C  31 -16.086  -6.562  -7.826
  333   1H4     C  31          1H4         C  31 -10.721  -6.108  -4.463
  334   2H4     C  31          2H4         C  31 -11.085  -7.592  -3.609
  335    H5     C  31           H5         C  31 -13.009  -8.959  -4.100
  336    H6     C  31           H6         C  31 -14.981  -9.216  -5.536
  337   1H5*    U  32          1H5*        U  32 -15.629  -9.429 -12.236
  338   2H5*    U  32          2H5*        U  32 -15.300 -10.973 -13.049
  339    H4*    U  32           H4*        U  32 -13.615  -9.327 -13.672
  340    H3*    U  32           H3*        U  32 -12.685 -11.602 -11.921
  341    H2*    U  32           H2*        U  32 -10.558 -10.680 -11.743
  342   2HO*    U  32          2HO*        U  32 -11.188  -9.565 -14.248
  343    H1*    U  32           H1*        U  32 -11.254  -7.960 -11.996
  344    H3     U  32           H3         U  32  -9.232  -7.921  -7.979
  345    H5     U  32           H5         U  32 -12.635 -10.312  -7.331
  346    H6     U  32           H6         U  32 -13.115 -10.154  -9.705
  347   1H5*    U  33          1H5*        U  33 -10.292 -10.801 -15.696
  348   2H5*    U  33          2H5*        U  33  -9.717 -12.340 -16.367
  349    H4*    U  33           H4*        U  33  -7.940 -10.632 -16.330
  350    H3*    U  33           H3*        U  33  -7.613 -13.105 -14.646
  351    H2*    U  33           H2*        U  33  -5.683 -12.293 -13.632
  352   2HO*    U  33          2HO*        U  33  -5.416 -10.428 -15.769
  353    H1*    U  33           H1*        U  33  -6.232  -9.549 -13.722
  354    H3     U  33           H3         U  33  -5.882 -10.188  -9.269
  355    H5     U  33           H5         U  33  -9.388 -12.281 -10.314
  356    H6     U  33           H6         U  33  -8.894 -11.819 -12.642
  357   1H5*    C  34          1H5*        C  34  -2.974 -15.008 -15.724
  358   2H5*    C  34          2H5*        C  34  -4.124 -14.844 -14.381
  359    H4*    C  34           H4*        C  34  -1.919 -12.843 -14.963
  360    H3*    C  34           H3*        C  34  -1.849 -15.358 -13.322
  361    H2*    C  34           H2*        C  34  -0.967 -14.283 -11.455
  362   2HO*    C  34          2HO*        C  34   0.782 -13.238 -12.093
  363    H1*    C  34           H1*        C  34  -2.104 -11.762 -11.764
  364   1H4     C  34          1H4         C  34  -5.329 -14.823  -7.157
  365   2H4     C  34          2H4         C  34  -6.537 -15.246  -8.351
  366    H5     C  34           H5         C  34  -6.275 -14.808 -10.705
  367    H6     C  34           H6         C  34  -4.794 -13.892 -12.426
  368   1H5*    C  35          1H5*        C  35   2.498 -13.941 -12.542
  369   2H5*    C  35          2H5*        C  35   3.255 -15.326 -13.355
  370    H4*    C  35           H4*        C  35   4.236 -15.043 -11.155
  371    H3*    C  35           H3*        C  35   2.542 -17.475 -11.615
  372    H2*    C  35           H2*        C  35   2.500 -18.076  -9.370
  373   2HO*    C  35          2HO*        C  35   4.383 -16.504  -8.249
  374    H1*    C  35           H1*        C  35   2.689 -15.566  -8.175
  375   1H4     C  35          1H4         C  35  -3.446 -17.083  -7.488
  376   2H4     C  35          2H4         C  35  -3.728 -16.840  -9.195
  377    H5     C  35           H5         C  35  -1.980 -16.322 -10.763
  378    H6     C  35           H6         C  35   0.422 -15.920 -11.035
  379   1H5*    U  36          1H5*        U  36   5.536 -21.169 -11.629
  380   2H5*    U  36          2H5*        U  36   3.969 -21.839 -11.130
  381    H4*    U  36           H4*        U  36   5.978 -20.276  -9.559
  382    H3*    U  36           H3*        U  36   4.318 -22.745  -9.158
  383    H2*    U  36           H2*        U  36   3.886 -22.277  -6.921
  384   2HO*    U  36          2HO*        U  36   6.413 -21.471  -6.972
  385    H1*    U  36           H1*        U  36   3.908 -19.493  -6.989
  386    H3     U  36           H3         U  36  -0.165 -21.308  -5.653
  387    H5     U  36           H5         U  36  -0.405 -20.560  -9.795
  388    H6     U  36           H6         U  36   1.991 -20.172  -9.795
  389   1H5*    A  37          1H5*        A  37   7.663 -25.200  -5.773
  390   2H5*    A  37          2H5*        A  37   6.282 -26.125  -6.397
  391    H4*    A  37           H4*        A  37   6.638 -24.736  -3.807
  392    H3*    A  37           H3*        A  37   6.012 -27.320  -4.515
  393    H2*    A  37           H2*        A  37   3.831 -27.047  -5.285
  394   2HO*    A  37          2HO*        A  37   2.552 -27.747  -3.737
  395    H1*    A  37           H1*        A  37   3.108 -24.824  -3.443
  396    H8     A  37           H8         A  37   3.977 -24.753  -7.218
  397   1H6     A  37          1H6         A  37  -2.044 -23.657  -8.072
  398   2H6     A  37          2H6         A  37  -0.483 -23.795  -8.851
  399    H2     A  37           H2         A  37  -1.381 -24.402  -3.691
  400   1H5*    A  38          1H5*        A  38   8.878 -26.206   0.647
  401   2H5*    A  38          2H5*        A  38   8.395 -27.849   0.177
  402    H4*    A  38           H4*        A  38   7.703 -26.893   2.521
  403    H3*    A  38           H3*        A  38   6.026 -28.527   0.636
  404    H2*    A  38           H2*        A  38   4.077 -28.183   1.868
  405   2HO*    A  38          2HO*        A  38   5.299 -28.791   3.866
  406    H1*    A  38           H1*        A  38   4.594 -25.636   2.862
  407    H8     A  38           H8         A  38   5.321 -25.706  -0.844
  408   1H6     A  38          1H6         A  38  -0.714 -24.756  -1.736
  409   2H6     A  38          2H6         A  38   0.860 -24.818  -2.495
  410    H2     A  38           H2         A  38  -0.088 -25.656   2.623
  411   1H5*    G  39          1H5*        G  39   3.892 -32.163   4.138
  412   2H5*    G  39          2H5*        G  39   3.781 -31.508   2.492
  413    H4*    G  39           H4*        G  39   3.068 -29.995   5.026
  414    H3*    G  39           H3*        G  39   1.401 -31.684   3.209
  415    H2*    G  39           H2*        G  39  -0.205 -30.040   2.822
  416   2HO*    G  39          2HO*        G  39  -0.076 -28.071   4.319
  417    H1*    G  39           H1*        G  39   1.349 -27.778   2.872
  418    H8     G  39           H8         G  39   3.453 -30.055   0.874
  419    H1     G  39           H1         G  39  -1.713 -28.169  -2.402
  420   1H2     G  39          1H2         G  39  -3.178 -27.220  -1.032
  421   2H2     G  39          2H2         G  39  -2.885 -27.051   0.684
  422   1H5*    U  40          1H5*        U  40  -1.457 -30.385   5.867
  423   2H5*    U  40          2H5*        U  40  -2.188 -31.737   6.756
  424    H4*    U  40           H4*        U  40  -3.959 -30.394   5.831
  425    H3*    U  40           H3*        U  40  -3.537 -33.085   4.574
  426    H2*    U  40           H2*        U  40  -5.017 -32.668   2.818
  427   2HO*    U  40          2HO*        U  40  -6.630 -31.071   2.940
  428    H1*    U  40           H1*        U  40  -4.585 -29.969   2.448
  429    H3     U  40           H3         U  40  -2.988 -31.845  -1.360
  430    H5     U  40           H5         U  40  -0.023 -32.648   1.525
  431    H6     U  40           H6         U  40  -1.521 -31.761   3.217
  432   1H5*    C  41          1H5*        C  41  -7.423 -32.431   4.846
  433   2H5*    C  41          2H5*        C  41  -8.511 -33.669   5.502
  434    H4*    C  41           H4*        C  41  -9.286 -33.047   3.301
  435    H3*    C  41           H3*        C  41  -8.006 -35.780   3.466
  436    H2*    C  41           H2*        C  41  -8.291 -36.089   1.161
  437   2HO*    C  41          2HO*        C  41 -10.291 -34.098   1.423
  438    H1*    C  41           H1*        C  41  -7.893 -33.456   0.351
  439   1H4     C  41          1H4         C  41  -2.410 -36.385  -0.973
  440   2H4     C  41          2H4         C  41  -2.019 -36.505   0.728
  441    H5     C  41           H5         C  41  -3.506 -35.779   2.479
  442    H6     C  41           H6         C  41  -5.695 -34.792   2.978
  443   1H5*    C  42          1H5*        C  42 -11.585 -35.823   1.342
  444   2H5*    C  42          2H5*        C  42 -12.775 -36.984   1.960
  445    H4*    C  42           H4*        C  42 -12.807 -37.179  -0.413
  446    H3*    C  42           H3*        C  42 -11.315 -39.435   0.927
  447    H2*    C  42           H2*        C  42 -10.739 -40.352  -1.158
  448   2HO*    C  42          2HO*        C  42 -12.108 -38.747  -2.869
  449    H1*    C  42           H1*        C  42 -10.296 -38.002  -2.528
  450   1H4     C  42          1H4         C  42  -4.488 -39.810  -0.659
  451   2H4     C  42          2H4         C  42  -4.846 -39.358   0.992
  452    H5     C  42           H5         C  42  -6.998 -38.558   1.707
  453    H6     C  42           H6         C  42  -9.285 -38.033   0.999
  454   1H5*    U  43          1H5*        U  43 -13.284 -40.715  -2.403
  455   2H5*    U  43          2H5*        U  43 -14.173 -42.231  -2.159
  456    H4*    U  43           H4*        U  43 -12.595 -42.302  -4.089
  457    H3*    U  43           H3*        U  43 -12.197 -44.187  -1.771
  458    H2*    U  43           H2*        U  43 -10.215 -44.968  -2.645
  459   2HO*    U  43          2HO*        U  43 -10.224 -44.277  -5.220
  460    H1*    U  43           H1*        U  43  -9.630 -42.715  -4.332
  461    H3     U  43           H3         U  43  -5.628 -43.230  -2.350
  462    H5     U  43           H5         U  43  -8.200 -42.271   0.851
  463    H6     U  43           H6         U  43 -10.061 -42.380  -0.702
  464    H3T    U  43           H3T        U  43 -13.698 -44.057  -3.969
  465   1H5*    G  44          1H5*        G  44  -8.850  44.514   2.921
  466   2H5*    G  44          2H5*        G  44  -9.633  42.953   2.598
  467    H4*    G  44           H4*        G  44  -9.044  43.647   0.463
  468    H3*    G  44           H3*        G  44  -6.967  41.803   1.576
  469    H2*    G  44           H2*        G  44  -5.383  42.281  -0.077
  470   2HO*    G  44          2HO*        G  44  -6.714  43.832  -1.821
  471    H1*    G  44           H1*        G  44  -5.817  44.950  -0.422
  472    H8     G  44           H8         G  44  -6.211  44.292   3.266
  473    H1     G  44           H1         G  44  -0.079  44.517   1.426
  474   1H2     G  44          1H2         G  44   0.044  44.528  -0.791
  475   2H2     G  44          2H2         G  44  -1.375  44.477  -1.813
  476    H5T    G  44           H5T        G  44  -8.057  42.972   4.332
  477   1H5*    G  45          1H5*        G  45  -6.311  41.260  -2.098
  478   2H5*    G  45          2H5*        G  45  -6.594  39.595  -2.642
  479    H4*    G  45           H4*        G  45  -4.360  40.293  -3.283
  480    H3*    G  45           H3*        G  45  -4.508  38.210  -1.102
  481    H2*    G  45           H2*        G  45  -2.205  38.278  -0.800
  482   2HO*    G  45          2HO*        G  45  -1.808  39.502  -3.327
  483    H1*    G  45           H1*        G  45  -1.750  40.936  -1.704
  484    H8     G  45           H8         G  45  -4.209  40.735   1.170
  485    H1     G  45           H1         G  45   1.923  40.698   3.026
  486   1H2     G  45          1H2         G  45   3.245  40.429   1.263
  487   2H2     G  45          2H2         G  45   2.621  40.265  -0.363
  488   1H5*    G  46          1H5*        G  46  -1.979  37.752  -4.202
  489   2H5*    G  46          2H5*        G  46  -1.821  36.261  -5.155
  490    H4*    G  46           H4*        G  46   0.387  37.144  -4.728
  491    H3*    G  46           H3*        G  46  -0.314  34.660  -3.160
  492    H2*    G  46           H2*        G  46   1.745  34.728  -2.049
  493   2HO*    G  46          2HO*        G  46   3.427  36.237  -2.908
  494    H1*    G  46           H1*        G  46   2.034  37.495  -1.905
  495    H8     G  46           H8         G  46  -1.429  36.220  -0.891
  496    H1     G  46           H1         G  46   2.880  36.176   3.844
  497   1H2     G  46          1H2         G  46   4.897  36.651   3.030
  498   2H2     G  46          2H2         G  46   5.173  36.971   1.334
  499   1H5*    A  47          1H5*        A  47   3.717  34.017  -4.959
  500   2H5*    A  47          2H5*        A  47   3.726  32.337  -5.528
  501    H4*    A  47           H4*        A  47   5.644  32.934  -4.023
  502    H3*    A  47           H3*        A  47   3.742  30.705  -3.306
  503    H2*    A  47           H2*        A  47   4.793  30.374  -1.246
  504   2HO*    A  47          2HO*        A  47   7.033  31.936  -1.993
  505    H1*    A  47           H1*        A  47   5.582  33.007  -0.737
  506    H8     A  47           H8         A  47   1.930  32.553  -1.809
  507   1H6     A  47          1H6         A  47   0.662  31.960   4.202
  508   2H6     A  47          2H6         A  47  -0.013  32.108   2.595
  509    H2     A  47           H2         A  47   5.135  32.056   3.740
  510   1H5*    U  48          1H5*        U  48   7.487  28.997  -2.642
  511   2H5*    U  48          2H5*        U  48   7.525  27.305  -3.179
  512    H4*    U  48           H4*        U  48   7.967  27.593  -0.740
  513    H3*    U  48           H3*        U  48   5.643  25.949  -1.712
  514    H2*    U  48           H2*        U  48   4.789  25.662   0.430
  515   2HO*    U  48          2HO*        U  48   6.585  24.815   1.421
  516    H1*    U  48           H1*        U  48   5.683  28.046   1.605
  517    H3     U  48           H3         U  48   1.226  28.505   2.093
  518    H5     U  48           H5         U  48   1.806  28.771  -2.074
  519    H6     U  48           H6         U  48   4.141  28.219  -1.718
  520   1H5*    A  49          1H5*        A  49   9.423  22.646   0.359
  521   2H5*    A  49          2H5*        A  49   7.668  22.546   0.104
  522    H4*    A  49           H4*        A  49   9.018  22.231   2.801
  523    H3*    A  49           H3*        A  49   8.935  20.291   0.700
  524    H2*    A  49           H2*        A  49   6.775  19.528   1.028
  525   2HO*    A  49          2HO*        A  49   6.617  18.080   2.834
  526    H1*    A  49           H1*        A  49   6.676  20.443   3.885
  527    H8     A  49           H8         A  49   4.894  21.182   0.484
  528   1H6     A  49          1H6         A  49  -0.313  20.125   3.631
  529   2H6     A  49          2H6         A  49   0.369  20.543   2.075
  530    H2     A  49           H2         A  49   3.140  19.603   6.460
  531   1H5*    U  50          1H5*        U  50  10.504  19.244   6.465
  532   2H5*    U  50          2H5*        U  50  10.645  17.574   5.881
  533    H4*    U  50           H4*        U  50   9.393  17.184   7.755
  534    H3*    U  50           H3*        U  50   7.820  17.011   5.505
  535    H2*    U  50           H2*        U  50   6.783  19.113   5.611
  536   2HO*    U  50          2HO*        U  50   4.771  18.818   6.379
  537    H1*    U  50           H1*        U  50   6.608  19.114   8.602
  538    H3     U  50           H3         U  50   8.667  23.593   8.146
  539    H5     U  50           H5         U  50   5.083  23.078   5.987
  540    H6     U  50           H6         U  50   5.266  20.691   6.382
  541   1H5*    G  51          1H5*        G  51   4.599  17.296   7.526
  542   2H5*    G  51          2H5*        G  51   3.937  16.657   9.044
  543    H4*    G  51           H4*        G  51   1.957  16.264   8.084
  544    H3*    G  51           H3*        G  51   3.571  14.704   6.074
  545    H2*    G  51           H2*        G  51   1.887  14.857   4.470
  546   2HO*    G  51          2HO*        G  51  -0.071  14.456   5.090
  547    H1*    G  51           H1*        G  51   0.842  17.353   5.162
  548    H8     G  51           H8         G  51   4.598  17.564   4.912
  549    H1     G  51           H1         G  51   1.712  17.662  -0.801
  550   1H2     G  51          1H2         G  51  -0.435  17.183  -0.578
  551   2H2     G  51          2H2         G  51  -1.165  16.835   0.972
  552   1H5*    G  52          1H5*        G  52   3.499  10.539   5.127
  553   2H5*    G  52          2H5*        G  52   4.124  11.696   3.934
  554    H4*    G  52           H4*        G  52   1.261  10.867   4.443
  555    H3*    G  52           H3*        G  52   3.203  10.553   2.200
  556    H2*    G  52           H2*        G  52   1.737  11.292   0.531
  557   2HO*    G  52          2HO*        G  52  -0.555  11.416   2.103
  558    H1*    G  52           H1*        G  52   0.461  13.292   1.824
  559    H8     G  52           H8         G  52   3.751  13.848   3.296
  560    H1     G  52           H1         G  52   3.847  15.239  -2.951
  561   1H2     G  52          1H2         G  52   2.035  14.397  -3.947
  562   2H2     G  52          2H2         G  52   0.805  13.515  -3.069
  563   1H5*    A  53          1H5*        A  53   0.255   7.811   1.364
  564   2H5*    A  53          2H5*        A  53   0.645   6.139   0.918
  565    H4*    A  53           H4*        A  53  -0.397   7.266  -0.963
  566    H3*    A  53           H3*        A  53   2.539   6.635  -1.264
  567    H2*    A  53           H2*        A  53   2.591   7.673  -3.370
  568   2HO*    A  53          2HO*        A  53   0.215   6.644  -3.636
  569    H1*    A  53           H1*        A  53   0.874   9.767  -2.827
  570    H8     A  53           H8         A  53   3.089   9.471   0.175
  571   1H6     A  53          1H6         A  53   7.440  12.472  -3.011
  572   2H6     A  53          2H6         A  53   6.969  11.863  -1.442
  573    H2     A  53           H2         A  53   4.145  11.380  -5.868
  574   1H5*    A  54          1H5*        A  54   1.148   4.940  -4.912
  575   2H5*    A  54          2H5*        A  54   1.927   3.354  -5.078
  576    H4*    A  54           H4*        A  54   2.423   4.939  -6.954
  577    H3*    A  54           H3*        A  54   4.725   3.933  -5.257
  578    H2*    A  54           H2*        A  54   6.202   5.121  -6.652
  579   2HO*    A  54          2HO*        A  54   4.587   6.084  -8.579
  580    H1*    A  54           H1*        A  54   4.568   7.332  -7.073
  581    H8     A  54           H8         A  54   4.578   6.368  -3.406
  582   1H6     A  54          1H6         A  54   9.807   9.640  -2.900
  583   2H6     A  54          2H6         A  54   8.566   8.775  -2.021
  584    H2     A  54           H2         A  54   8.791   9.312  -7.260
  585   1H5*    G  55          1H5*        G  55   5.388   2.195  -9.294
  586   2H5*    G  55          2H5*        G  55   6.063   0.557  -9.175
  587    H4*    G  55           H4*        G  55   7.520   1.980 -10.523
  588    H3*    G  55           H3*        G  55   8.609   1.140  -7.829
  589    H2*    G  55           H2*        G  55  10.577   2.378  -8.216
  590   2HO*    G  55          2HO*        G  55   9.897   1.939 -10.882
  591    H1*    G  55           H1*        G  55   9.431   4.524  -9.509
  592    H8     G  55           H8         G  55   7.509   3.258  -6.436
  593    H1     G  55           H1         G  55  12.171   7.424  -5.129
  594   1H2     G  55          1H2         G  55  13.351   7.851  -6.961
  595   2H2     G  55          2H2         G  55  12.982   7.106  -8.502
  596   1H5*    A  56          1H5*        A  56  11.597   0.989  -9.906
  597   2H5*    A  56          2H5*        A  56  12.344  -0.596 -10.181
  598    H4*    A  56           H4*        A  56  14.138   0.753  -9.514
  599    H3*    A  56           H3*        A  56  13.081  -0.737  -7.100
  600    H2*    A  56           H2*        A  56  14.603   0.382  -5.742
  601   2HO*    A  56          2HO*        A  56  16.606   0.805  -6.357
  602    H1*    A  56           H1*        A  56  14.854   2.733  -7.330
  603    H8     A  56           H8         A  56  11.406   1.649  -5.974
  604   1H6     A  56          1H6         A  56  12.626   5.420  -1.227
  605   2H6     A  56          2H6         A  56  11.426   4.384  -1.966
  606    H2     A  56           H2         A  56  16.284   5.239  -3.827
  607   1H5*    A  57          1H5*        A  57  17.731  -1.214  -8.200
  608   2H5*    A  57          2H5*        A  57  18.085  -2.869  -7.661
  609    H4*    A  57           H4*        A  57  19.867  -1.269  -7.035
  610    H3*    A  57           H3*        A  57  18.329  -2.715  -4.893
  611    H2*    A  57           H2*        A  57  19.359  -1.504  -3.174
  612   2HO*    A  57          2HO*        A  57  21.502  -1.833  -4.171
  613    H1*    A  57           H1*        A  57  19.529   0.953  -4.392
  614    H8     A  57           H8         A  57  16.240  -0.907  -5.058
  615   1H6     A  57          1H6         A  57  14.093   1.882   0.007
  616   2H6     A  57          2H6         A  57  13.691   0.872  -1.361
  617    H2     A  57           H2         A  57  18.490   2.796  -0.313
  618   1H5*    C  58          1H5*        C  58  22.257  -3.447  -3.324
  619   2H5*    C  58          2H5*        C  58  22.303  -5.181  -2.942
  620    H4*    C  58           H4*        C  58  22.732  -3.819  -0.946
  621    H3*    C  58           H3*        C  58  20.138  -5.380  -0.983
  622    H2*    C  58           H2*        C  58  19.590  -4.515   1.120
  623   2HO*    C  58          2HO*        C  58  21.041  -4.201   2.633
  624    H1*    C  58           H1*        C  58  20.865  -2.017   0.844
  625   1H4     C  58          1H4         C  58  14.664  -0.693   0.461
  626   2H4     C  58          2H4         C  58  14.568  -1.436  -1.120
  627    H5     C  58           H5         C  58  16.428  -2.551  -2.167
  628    H6     C  58           H6         C  58  18.775  -3.212  -1.921
  629   1H5*    C  59          1H5*        C  59  22.153  -6.216   2.730
  630   2H5*    C  59          2H5*        C  59  21.790  -7.862   3.285
  631    H4*    C  59           H4*        C  59  21.108  -6.068   4.893
  632    H3*    C  59           H3*        C  59  19.015  -7.919   3.735
  633    H2*    C  59           H2*        C  59  17.343  -6.786   4.903
  634   2HO*    C  59          2HO*        C  59  19.448  -6.062   6.653
  635    H1*    C  59           H1*        C  59  18.551  -4.238   4.925
  636   1H4     C  59          1H4         C  59  13.692  -3.700   0.865
  637   2H4     C  59          2H4         C  59  14.473  -4.770  -0.278
  638    H5     C  59           H5         C  59  16.575  -5.869   0.166
  639    H6     C  59           H6         C  59  18.365  -6.192   1.809
  640   1H5*    G  60          1H5*        G  60  19.391  -8.379   8.515
  641   2H5*    G  60          2H5*        G  60  19.122 -10.122   8.707
  642    H4*    G  60           H4*        G  60  17.881  -8.899  10.404
  643    H3*    G  60           H3*        G  60  16.233 -10.259   8.272
  644    H2*    G  60           H2*        G  60  14.251  -9.405   9.193
  645   2HO*    G  60          2HO*        G  60  15.082  -8.205  11.456
  646    H1*    G  60           H1*        G  60  15.188  -6.924   9.960
  647    H8     G  60           H8         G  60  16.492  -7.884   6.534
  648    H1     G  60           H1         G  60  10.601  -5.384   6.407
  649   1H2     G  60          1H2         G  60   9.802  -5.221   8.474
  650   2H2     G  60          2H2         G  60  10.717  -5.724   9.878
  651   1H5*    G  61          1H5*        G  61  14.184 -10.347  11.629
  652   2H5*    G  61          2H5*        G  61  13.935 -12.000  12.227
  653    H4*    G  61           H4*        G  61  11.848 -10.804  12.394
  654    H3*    G  61           H3*        G  61  11.958 -12.890  10.220
  655    H2*    G  61           H2*        G  61   9.877 -12.269   9.398
  656   2HO*    G  61          2HO*        G  61   9.160 -10.860  11.734
  657    H1*    G  61           H1*        G  61   9.872  -9.563  10.231
  658    H8     G  61           H8         G  61  12.837 -10.640   8.084
  659    H1     G  61           H1         G  61   7.730  -8.795   4.707
  660   1H2     G  61          1H2         G  61   5.991  -8.501   6.049
  661   2H2     G  61          2H2         G  61   6.082  -8.761   7.777
  662   1H5*    G  62          1H5*        G  62   8.017 -12.831  12.201
  663   2H5*    G  62          2H5*        G  62   7.596 -14.525  12.521
  664    H4*    G  62           H4*        G  62   5.802 -13.222  11.351
  665    H3*    G  62           H3*        G  62   6.990 -15.678  10.057
  666    H2*    G  62           H2*        G  62   5.726 -15.336   8.132
  667   2HO*    G  62          2HO*        G  62   3.903 -14.397   9.970
  668    H1*    G  62           H1*        G  62   5.452 -12.519   8.322
  669    H8     G  62           H8         G  62   8.992 -14.012   8.319
  670    H1     G  62           H1         G  62   6.712 -12.567   2.513
  671   1H2     G  62          1H2         G  62   4.575 -11.993   2.653
  672   2H2     G  62          2H2         G  62   3.709 -11.965   4.174
  673   1H5*    G  63          1H5*        G  63   4.605 -19.605   9.397
  674   2H5*    G  63          2H5*        G  63   5.865 -18.413   9.022
  675    H4*    G  63           H4*        G  63   3.084 -18.424   7.805
  676    H3*    G  63           H3*        G  63   5.655 -19.663   6.841
  677    H2*    G  63           H2*        G  63   5.325 -18.845   4.665
  678   2HO*    G  63          2HO*        G  63   3.097 -19.511   4.566
  679    H1*    G  63           H1*        G  63   4.285 -16.384   5.295
  680    H8     G  63           H8         G  63   7.045 -17.045   7.766
  681    H1     G  63           H1         G  63   9.247 -15.352   2.000
  682   1H2     G  63          1H2         G  63   7.603 -15.343   0.534
  683   2H2     G  63          2H2         G  63   5.959 -15.762   0.960
  684   1H5*    A  64          1H5*        A  64   6.867 -22.705   6.040
  685   2H5*    A  64          2H5*        A  64   7.016 -21.100   5.296
  686    H4*    A  64           H4*        A  64   7.941 -23.391   4.170
  687    H3*    A  64           H3*        A  64   7.185 -20.736   3.061
  688    H2*    A  64           H2*        A  64   6.780 -21.461   0.887
  689   2HO*    A  64          2HO*        A  64   7.606 -23.865   0.547
  690    H1*    A  64           H1*        A  64   5.773 -23.961   1.312
  691    H8     A  64           H8         A  64   4.406 -21.583   3.944
  692   1H6     A  64          1H6         A  64   0.005 -20.150  -0.142
  693   2H6     A  64          2H6         A  64   0.547 -19.967   1.512
  694    H2     A  64           H2         A  64   3.069 -22.673  -2.247
  695   1H5*    A  65          1H5*        A  65   9.954 -18.092   0.559
  696   2H5*    A  65          2H5*        A  65   8.205 -17.820   0.704
  697    H4*    A  65           H4*        A  65   9.681 -19.848  -0.972
  698    H3*    A  65           H3*        A  65   8.093 -17.451  -1.529
  699    H2*    A  65           H2*        A  65   6.295 -18.387  -2.626
  700   2HO*    A  65          2HO*        A  65   6.875 -19.441  -4.340
  701    H1*    A  65           H1*        A  65   6.250 -20.993  -1.744
  702    H8     A  65           H8         A  65   6.487 -19.368   1.494
  703   1H6     A  65          1H6         A  65   0.579 -17.651   0.962
  704   2H6     A  65          2H6         A  65   1.928 -17.846   2.059
  705    H2     A  65           H2         A  65   2.024 -18.928  -3.101
  706   1H5*    A  66          1H5*        A  66   8.575 -15.570  -5.625
  707   2H5*    A  66          2H5*        A  66   8.053 -14.619  -4.221
  708    H4*    A  66           H4*        A  66   6.526 -15.501  -6.505
  709    H3*    A  66           H3*        A  66   6.135 -13.605  -4.220
  710    H2*    A  66           H2*        A  66   3.801 -13.836  -4.186
  711   2HO*    A  66          2HO*        A  66   4.071 -15.000  -6.775
  712    H1*    A  66           H1*        A  66   3.577 -16.492  -4.603
  713    H8     A  66           H8         A  66   6.759 -15.997  -2.629
  714   1H6     A  66          1H6         A  66   3.255 -15.866   2.458
  715   2H6     A  66          2H6         A  66   4.894 -15.972   1.848
  716    H2     A  66           H2         A  66   0.520 -15.697  -1.118
  717   1H5*    C  67          1H5*        C  67   3.986 -11.474  -5.964
  718   2H5*    C  67          2H5*        C  67   4.377  -9.743  -5.961
  719    H4*    C  67           H4*        C  67   2.540 -10.390  -4.381
  720    H3*    C  67           H3*        C  67   5.058  -9.085  -3.334
  721    H2*    C  67           H2*        C  67   4.229  -9.214  -1.134
  722   2HO*    C  67          2HO*        C  67   1.768  -9.261  -2.442
  723    H1*    C  67           H1*        C  67   3.024 -11.686  -1.323
  724   1H4     C  67          1H4         C  67   8.715 -12.856   1.280
  725   2H4     C  67          2H4         C  67   9.483 -12.726  -0.286
  726    H5     C  67           H5         C  67   8.294 -12.097  -2.290
  727    H6     C  67           H6         C  67   6.123 -11.459  -3.220
  728   1H5*    U  68          1H5*        U  68   2.170  -7.567  -1.538
  729   2H5*    U  68          2H5*        U  68   1.943  -5.811  -1.410
  730    H4*    U  68           H4*        U  68   1.921  -6.839   0.803
  731    H3*    U  68           H3*        U  68   4.297  -5.081   0.173
  732    H2*    U  68           H2*        U  68   5.212  -5.531   2.287
  733   2HO*    U  68          2HO*        U  68   3.912  -6.357   4.002
  734    H1*    U  68           H1*        U  68   4.254  -8.155   2.563
  735    H3     U  68           H3         U  68   8.789  -8.507   2.733
  736    H5     U  68           H5         U  68   7.886  -8.067  -1.360
  737    H6     U  68           H6         U  68   5.598  -7.580  -0.735
  738   1H5*    U  69          1H5*        U  69   2.719  -4.240   3.598
  739   2H5*    U  69          2H5*        U  69   2.229  -2.612   4.107
  740    H4*    U  69           H4*        U  69   3.544  -3.414   5.888
  741    H3*    U  69           H3*        U  69   5.238  -1.686   4.069
  742    H2*    U  69           H2*        U  69   7.089  -2.097   5.434
  743   2HO*    U  69          2HO*        U  69   5.890  -3.352   7.552
  744    H1*    U  69           H1*        U  69   6.405  -4.701   6.223
  745    H3     U  69           H3         U  69  10.338  -5.443   4.146
  746    H5     U  69           H5         U  69   7.852  -4.027   1.055
  747    H6     U  69           H6         U  69   6.127  -3.627   2.712
  748   1H5*    G  70          1H5*        G  70   5.866  -0.453   7.914
  749   2H5*    G  70          2H5*        G  70   6.298   1.259   8.096
  750    H4*    G  70           H4*        G  70   8.101  -0.283   8.831
  751    H3*    G  70           H3*        G  70   8.670   1.518   6.460
  752    H2*    G  70           H2*        G  70  10.813   0.599   6.315
  753   2HO*    G  70          2HO*        G  70  10.492   0.351   9.067
  754    H1*    G  70           H1*        G  70  10.169  -1.947   7.402
  755    H8     G  70           H8         G  70   8.278  -0.690   4.285
  756    H1     G  70           H1         G  70  13.617  -4.013   3.079
  757   1H2     G  70          1H2         G  70  14.704  -4.401   4.978
  758   2H2     G  70          2H2         G  70  14.112  -3.844   6.527
  759   1H5*    G  71          1H5*        G  71  11.571   2.481   9.925
  760   2H5*    G  71          2H5*        G  71  11.587   4.254  10.001
  761    H4*    G  71           H4*        G  71  13.855   3.558  10.163
  762    H3*    G  71           H3*        G  71  13.197   4.534   7.375
  763    H2*    G  71           H2*        G  71  15.430   4.113   6.730
  764   2HO*    G  71          2HO*        G  71  16.951   3.434   8.509
  765    H1*    G  71           H1*        G  71  15.748   1.742   8.094
  766    H8     G  71           H8         G  71  12.312   2.198   6.441
  767    H1     G  71           H1         G  71  16.771  -0.268   2.566
  768   1H2     G  71          1H2         G  71  18.746  -0.284   3.599
  769   2H2     G  71          2H2         G  71  18.961   0.329   5.222
  770   1H5*    U  72          1H5*        U  72  16.738   6.928   8.273
  771   2H5*    U  72          2H5*        U  72  16.345   8.563   7.703
  772    H4*    U  72           H4*        U  72  18.414   7.633   6.673
  773    H3*    U  72           H3*        U  72  16.065   8.254   4.862
  774    H2*    U  72           H2*        U  72  17.322   7.550   3.017
  775   2HO*    U  72          2HO*        U  72  19.687   7.687   4.599
  776    H1*    U  72           H1*        U  72  18.821   5.569   4.337
  777    H3     U  72           H3         U  72  16.642   3.349   1.025
  778    H5     U  72           H5         U  72  13.650   4.191   3.875
  779    H6     U  72           H6         U  72  15.267   5.537   5.081
  780   1H5*    U  73          1H5*        U  73  19.509  10.302   3.345
  781   2H5*    U  73          2H5*        U  73  19.105  11.942   2.802
  782    H4*    U  73           H4*        U  73  20.274  10.682   1.046
  783    H3*    U  73           H3*        U  73  17.369  11.357   0.503
  784    H2*    U  73           H2*        U  73  17.591  10.376  -1.636
  785   2HO*    U  73          2HO*        U  73  19.721   9.721  -2.388
  786    H1*    U  73           H1*        U  73  19.092   8.207  -0.843
  787    H3     U  73           H3         U  73  15.002   6.563  -1.941
  788    H5     U  73           H5         U  73  14.431   8.340   1.845
  789    H6     U  73           H6         U  73  16.695   9.202   1.705
  790   1H5*    C  74          1H5*        C  74  19.447  11.843  -2.662
  791   2H5*    C  74          2H5*        C  74  19.328  13.400  -3.503
  792    H4*    C  74           H4*        C  74  19.011  11.700  -5.144
  793    H3*    C  74           H3*        C  74  16.312  12.845  -4.349
  794    H2*    C  74           H2*        C  74  15.431  11.551  -6.150
  795   2HO*    C  74          2HO*        C  74  17.882  10.576  -7.028
  796    H1*    C  74           H1*        C  74  17.018   9.326  -5.634
  797   1H4     C  74          1H4         C  74  11.438   7.959  -2.910
  798   2H4     C  74          2H4         C  74  11.761   9.083  -1.609
  799    H5     C  74           H5         C  74  13.724  10.486  -1.531
  800    H6     C  74           H6         C  74  15.779  11.133  -2.698
  801   1H5*    U  75          1H5*        U  75  16.796  13.753  -8.174
  802   2H5*    U  75          2H5*        U  75  15.892  15.087  -8.915
  803    H4*    U  75           H4*        U  75  15.047  12.894  -9.645
  804    H3*    U  75           H3*        U  75  13.160  14.524  -7.921
  805    H2*    U  75           H2*        U  75  11.535  12.857  -8.243
  806   2HO*    U  75          2HO*        U  75  13.096  12.174 -10.513
  807    H1*    U  75           H1*        U  75  13.330  10.689  -8.312
  808    H3     U  75           H3         U  75  10.617   9.780  -4.799
  809    H5     U  75           H5         U  75  13.065  12.922  -3.429
  810    H6     U  75           H6         U  75  13.963  13.113  -5.676
  811   1H5*    U  76          1H5*        U  76  11.031  14.183 -11.938
  812   2H5*    U  76          2H5*        U  76  10.397  15.819 -12.209
  813    H4*    U  76           H4*        U  76   8.690  14.007 -12.474
  814    H3*    U  76           H3*        U  76   8.306  16.176 -10.407
  815    H2*    U  76           H2*        U  76   6.354  15.166  -9.629
  816   2HO*    U  76          2HO*        U  76   5.039  14.776 -11.241
  817    H1*    U  76           H1*        U  76   7.025  12.489 -10.163
  818    H3     U  76           H3         U  76   6.325  12.548  -5.672
  819    H5     U  76           H5         U  76  10.047  14.458  -6.192
  820    H6     U  76           H6         U  76   9.670  14.394  -8.588
  821   1H5*    C  77          1H5*        C  77   3.618  18.268 -11.522
  822   2H5*    C  77          2H5*        C  77   4.662  17.949 -10.121
  823    H4*    C  77           H4*        C  77   2.531  16.060 -11.177
  824    H3*    C  77           H3*        C  77   2.421  18.173  -9.051
  825    H2*    C  77           H2*        C  77   1.545  16.739  -7.447
  826   2HO*    C  77          2HO*        C  77   0.691  14.567  -8.497
  827    H1*    C  77           H1*        C  77   2.621  14.308  -8.315
  828   1H4     C  77          1H4         C  77   5.826  15.990  -3.057
  829   2H4     C  77          2H4         C  77   6.974  16.856  -4.052
  830    H5     C  77           H5         C  77   6.685  17.173  -6.427
  831    H6     C  77           H6         C  77   5.245  16.703  -8.356
  832   1H5*    C  78          1H5*        C  78  -2.686  19.706  -8.771
  833   2H5*    C  78          2H5*        C  78  -1.234  19.992  -7.792
  834    H4*    C  78           H4*        C  78  -3.459  17.998  -7.339
  835    H3*    C  78           H3*        C  78  -2.362  20.364  -5.860
  836    H2*    C  78           H2*        C  78  -2.360  19.294  -3.803
  837   2HO*    C  78          2HO*        C  78  -4.117  18.315  -3.231
  838    H1*    C  78           H1*        C  78  -2.048  16.632  -4.634
  839   1H4     C  78          1H4         C  78   3.475  18.476  -1.978
  840   2H4     C  78          2H4         C  78   4.062  18.873  -3.576
  841    H5     C  78           H5         C  78   2.676  18.816  -5.544
  842    H6     C  78           H6         C  78   0.422  18.387  -6.405
  843   1H5*    U  79          1H5*        U  79  -4.795  23.509  -4.221
  844   2H5*    U  79          2H5*        U  79  -3.066  23.548  -3.819
  845    H4*    U  79           H4*        U  79  -5.172  21.619  -2.806
  846    H3*    U  79           H3*        U  79  -3.654  23.886  -1.604
  847    H2*    U  79           H2*        U  79  -2.833  22.700   0.198
  848   2HO*    U  79          2HO*        U  79  -5.094  20.991  -0.098
  849    H1*    U  79           H1*        U  79  -2.917  20.071  -0.792
  850    H3     U  79           H3         U  79   1.306  21.281   0.735
  851    H5     U  79           H5         U  79   1.153  22.147  -3.389
  852    H6     U  79           H6         U  79  -1.241  21.761  -3.314
  853   1H5*    A  80          1H5*        A  80  -5.343  26.850   0.966
  854   2H5*    A  80          2H5*        A  80  -3.680  27.108   0.403
  855    H4*    A  80           H4*        A  80  -4.646  25.474   2.755
  856    H3*    A  80           H3*        A  80  -3.688  28.051   2.710
  857    H2*    A  80           H2*        A  80  -1.505  27.693   1.968
  858   2HO*    A  80          2HO*        A  80  -0.181  27.709   3.682
  859    H1*    A  80           H1*        A  80  -1.138  25.040   3.268
  860    H8     A  80           H8         A  80  -1.775  26.005  -0.441
  861   1H6     A  80          1H6         A  80   4.083  24.266  -1.366
  862   2H6     A  80          2H6         A  80   2.615  24.833  -2.130
  863    H2     A  80           H2         A  80   3.232  23.975   3.037
  864   1H5*    A  81          1H5*        A  81  -7.209  26.144   7.048
  865   2H5*    A  81          2H5*        A  81  -6.393  27.710   7.232
  866    H4*    A  81           H4*        A  81  -6.274  25.840   9.120
  867    H3*    A  81           H3*        A  81  -4.196  27.823   8.256
  868    H2*    A  81           H2*        A  81  -2.476  26.761   9.394
  869   2HO*    A  81          2HO*        A  81  -4.084  26.717  11.323
  870    H1*    A  81           H1*        A  81  -3.416  24.121   9.357
  871    H8     A  81           H8         A  81  -3.447  25.558   5.868
  872   1H6     A  81          1H6         A  81   2.496  23.918   5.480
  873   2H6     A  81          2H6         A  81   1.103  24.496   4.593
  874    H2     A  81           H2         A  81   1.203  23.428   9.756
  875   1H5*    G  82          1H5*        G  82  -2.173  30.308  11.888
  876   2H5*    G  82          2H5*        G  82  -1.899  30.000  10.161
  877    H4*    G  82           H4*        G  82  -0.714  28.495  12.513
  878    H3*    G  82           H3*        G  82   0.359  30.520  10.596
  879    H2*    G  82           H2*        G  82   2.233  29.269   9.996
  880   2HO*    G  82          2HO*        G  82   2.954  27.493  11.330
  881    H1*    G  82           H1*        G  82   1.223  26.723  10.110
  882    H8     G  82           H8         G  82  -1.518  28.600   8.464
  883    H1     G  82           H1         G  82   3.458  27.729   4.533
  884   1H2     G  82          1H2         G  82   5.280  27.034   5.715
  885   2H2     G  82          2H2         G  82   5.181  26.793   7.413
  886   1H5*    U  83          1H5*        U  83   3.665  30.029  12.540
  887   2H5*    U  83          2H5*        U  83   4.135  31.398  13.568
  888    H4*    U  83           H4*        U  83   6.049  30.968  12.281
  889    H3*    U  83           H3*        U  83   4.462  33.270  11.189
  890    H2*    U  83           H2*        U  83   5.715  33.389   9.220
  891   2HO*    U  83          2HO*        U  83   7.775  31.882   9.333
  892    H1*    U  83           H1*        U  83   6.249  30.717   8.821
  893    H3     U  83           H3         U  83   3.470  31.714   5.385
  894    H5     U  83           H5         U  83   0.941  31.577   8.756
  895    H6     U  83           H6         U  83   2.915  31.348  10.147
  896   1H5*    C  84          1H5*        C  84   7.903  34.210  10.287
  897   2H5*    C  84          2H5*        C  84   8.612  35.709  10.920
  898    H4*    C  84           H4*        C  84   8.871  35.825   8.567
  899    H3*    C  84           H3*        C  84   6.545  37.488   9.533
  900    H2*    C  84           H2*        C  84   5.899  37.976   7.356
  901   2HO*    C  84          2HO*        C  84   8.090  37.190   5.934
  902    H1*    C  84           H1*        C  84   6.929  35.662   6.084
  903   1H4     C  84          1H4         C  84   0.622  35.001   5.692
  904   2H4     C  84          2H4         C  84   0.502  34.773   7.421
  905    H5     C  84           H5         C  84   2.388  34.934   8.909
  906    H6     C  84           H6         C  84   4.796  35.364   9.063
  907   1H5*    C  85          1H5*        C  85   9.445  38.884   6.789
  908   2H5*    C  85          2H5*        C  85  10.090  40.525   6.996
  909    H4*    C  85           H4*        C  85   9.799  40.130   4.642
  910    H3*    C  85           H3*        C  85   7.726  41.979   5.837
  911    H2*    C  85           H2*        C  85   6.674  42.174   3.740
  912   2HO*    C  85          2HO*        C  85   9.196  41.405   2.778
  913    H1*    C  85           H1*        C  85   6.993  39.562   2.908
  914   1H4     C  85          1H4         C  85   1.093  39.781   5.297
  915   2H4     C  85          2H4         C  85   1.725  39.773   6.928
  916    H5     C  85           H5         C  85   4.078  39.829   7.433
  917    H6     C  85           H6         C  85   6.336  39.941   6.484
  918   1H5*    U  86          1H5*        U  86   8.568  43.227   2.337
  919   2H5*    U  86          2H5*        U  86   8.911  44.954   2.120
  920    H4*    U  86           H4*        U  86   7.069  44.098   0.664
  921    H3*    U  86           H3*        U  86   6.598  46.314   2.630
  922    H2*    U  86           H2*        U  86   4.328  46.129   2.500
  923   2HO*    U  86          2HO*        U  86   4.348  46.992   0.393
  924    H1*    U  86           H1*        U  86   4.305  43.646   0.914
  925    H3     U  86           H3         U  86   0.419  43.413   3.251
  926    H5     U  86           H5         U  86   3.443  42.894   6.146
  927    H6     U  86           H6         U  86   5.070  43.467   4.438
  928    H3T    U  86           H3T        U  86   6.114  47.246   0.415
  929   1HN1  NCO 101          1HN1      NCO 101 -13.418   8.367   6.465
  930   2HN1  NCO 101          2HN1      NCO 101 -12.549   7.936   5.145
  931   3HN1  NCO 101          3HN1      NCO 101 -14.116   8.392   4.984
  932   1HN2  NCO 101          1HN2      NCO 101 -13.676  11.804   7.081
  933   2HN2  NCO 101          2HN2      NCO 101 -12.726  10.644   7.736
  934   3HN2  NCO 101          3HN2      NCO 101 -14.230  10.268   7.205
  935   1HN3  NCO 101          1HN3      NCO 101 -15.157  10.327   4.917
  936   2HN3  NCO 101          2HN3      NCO 101 -14.426  10.586   3.474
  937   3HN3  NCO 101          3HN3      NCO 101 -14.621  11.823   4.525
  938   1HN4  NCO 101          1HN4      NCO 101 -11.044  10.345   3.404
  939   2HN4  NCO 101          2HN4      NCO 101 -12.553  10.412   2.777
  940   3HN4  NCO 101          3HN4      NCO 101 -11.974   8.997   3.363
  941   1HN5  NCO 101          1HN5      NCO 101 -10.587  10.790   6.522
  942   2HN5  NCO 101          2HN5      NCO 101 -10.328   9.684   5.342
  943   3HN5  NCO 101          3HN5      NCO 101 -11.084   9.243   6.726
  944   1HN6  NCO 101          1HN6      NCO 101 -12.145  12.549   4.071
  945   2HN6  NCO 101          2HN6      NCO 101 -11.233  12.438   5.426
  946   3HN6  NCO 101          3HN6      NCO 101 -12.800  12.897   5.529
  947   1HN1  NCO 102          1HN1      NCO 102  -9.828 -16.551  -6.262
  948   2HN1  NCO 102          2HN1      NCO 102  -8.313 -16.204  -6.774
  949   3HN1  NCO 102          3HN1      NCO 102  -8.542 -16.917  -5.318
  950   1HN2  NCO 102          1HN2      NCO 102  -7.938 -15.120  -2.980
  951   2HN2  NCO 102          2HN2      NCO 102  -6.871 -14.283  -3.899
  952   3HN2  NCO 102          3HN2      NCO 102  -7.172 -15.859  -4.225
  953   1HN3  NCO 102          1HN3      NCO 102 -11.250 -15.246  -4.287
  954   2HN3  NCO 102          2HN3      NCO 102 -10.065 -16.105  -3.549
  955   3HN3  NCO 102          3HN3      NCO 102 -10.408 -14.584  -3.051
  956   1HN4  NCO 102          1HN4      NCO 102 -10.423 -13.008  -6.563
  957   2HN4  NCO 102          2HN4      NCO 102 -10.416 -14.525  -7.181
  958   3HN4  NCO 102          3HN4      NCO 102 -11.367 -14.166  -5.896
  959   1HN5  NCO 102          1HN5      NCO 102  -6.918 -13.452  -5.914
  960   2HN5  NCO 102          2HN5      NCO 102  -8.130 -13.041  -6.935
  961   3HN5  NCO 102          3HN5      NCO 102  -7.450 -14.527  -7.030
  962   1HN6  NCO 102          1HN6      NCO 102  -9.980 -12.253  -4.525
  963   2HN6  NCO 102          2HN6      NCO 102  -8.346 -12.165  -4.505
  964   3HN6  NCO 102          3HN6      NCO 102  -9.143 -12.845  -3.246
  965   1HN1  NCO 103          1HN1      NCO 103  13.961 -10.983  -0.021
  966   2HN1  NCO 103          2HN1      NCO 103  13.683 -12.455   0.637
  967   3HN1  NCO 103          3HN1      NCO 103  12.452 -11.622  -0.050
  968   1HN2  NCO 103          1HN2      NCO 103  13.631 -13.063   2.449
  969   2HN2  NCO 103          2HN2      NCO 103  13.855 -12.294   3.878
  970   3HN2  NCO 103          3HN2      NCO 103  12.359 -12.794   3.442
  971   1HN3  NCO 103          1HN3      NCO 103  10.815 -11.317   1.033
  972   2HN3  NCO 103          2HN3      NCO 103  10.798 -11.979   2.531
  973   3HN3  NCO 103          3HN3      NCO 103  10.437 -10.394   2.330
  974   1HN4  NCO 103          1HN4      NCO 103  11.726  -9.028   0.817
  975   2HN4  NCO 103          2HN4      NCO 103  13.342  -8.797   0.684
  976   3HN4  NCO 103          3HN4      NCO 103  12.542  -8.249   2.004
  977   1HN5  NCO 103          1HN5      NCO 103  15.357 -11.066   2.283
  978   2HN5  NCO 103          2HN5      NCO 103  15.056  -9.561   1.714
  979   3HN5  NCO 103          3HN5      NCO 103  14.973  -9.860   3.323
  980   1HN6  NCO 103          1HN6      NCO 103  11.640 -10.246   4.318
  981   2HN6  NCO 103          2HN6      NCO 103  12.427  -8.883   3.867
  982   3HN6  NCO 103          3HN6      NCO 103  13.241 -10.090   4.616
  983   1HN1  NCO 104          1HN1      NCO 104  11.646  15.138  -1.341
  984   2HN1  NCO 104          2HN1      NCO 104  11.398  13.897  -0.301
  985   3HN1  NCO 104          3HN1      NCO 104  10.756  13.843  -1.806
  986   1HN2  NCO 104          1HN2      NCO 104   9.772  16.510   1.781
  987   2HN2  NCO 104          2HN2      NCO 104  10.736  15.192   1.693
  988   3HN2  NCO 104          3HN2      NCO 104  11.133  16.551   0.871
  989   1HN3  NCO 104          1HN3      NCO 104   8.921  13.872   1.601
  990   2HN3  NCO 104          2HN3      NCO 104   9.561  12.972   0.394
  991   3HN3  NCO 104          3HN3      NCO 104   7.976  13.382   0.357
  992   1HN4  NCO 104          1HN4      NCO 104   8.122  13.699  -1.778
  993   2HN4  NCO 104          2HN4      NCO 104   7.520  15.200  -2.038
  994   3HN4  NCO 104          3HN4      NCO 104   8.927  14.749  -2.743
  995   1HN5  NCO 104          1HN5      NCO 104   9.008  17.344  -1.775
  996   2HN5  NCO 104          2HN5      NCO 104  10.255  17.609  -0.748
  997   3HN5  NCO 104          3HN5      NCO 104  10.483  16.709  -2.097
  998   1HN6  NCO 104          1HN6      NCO 104   6.919  15.709   0.012
  999   2HN6  NCO 104          2HN6      NCO 104   7.757  16.189   1.333
 1000   3HN6  NCO 104          3HN6      NCO 104   7.699  17.149   0.009