*HEADER    RNA                                     03-DEC-02   1NBR              
*TITLE     IRON RESPONSIVE ELEMENT RNA HAIRPIN, NMR, 15 STRUCTURES               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA HAIRPIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: IN VITRO TRANSCRIPTION USING SYNTHETIC RNA            
*KEYWDS    RIBONUCLEIC ACID, RNA, HAIRPIN, TRANSLATIONAL REGULATION              
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    S.A.MCCALLUM, A.PARDI                                                 
*REVDAT   1   04-MAR-03 1NBR    0                                                
! Constraints used to calculate rcsb017749.pdb
!
!NOE constraints
assign (residue   1 and name   H8 ) (residue   1 and name  H1' )  4.00  1.50  1.50
assign (residue   1 and name   H8 ) (residue   1 and name  H2'' )  3.50  1.70  1.00
assign (residue   1 and name   H8 ) (residue   1 and name  H3' )  3.50  1.70  1.00
assign (residue   1 and name   H8 ) (residue   1 and name  H4' )  4.00  1.50  1.50
assign (residue   2 and name   H8 ) (residue   1 and name  H1' )  3.50  1.70  1.00
assign (residue   2 and name   H8 ) (residue   1 and name  H2'' ) 3.50  1.70  1.00 
assign (residue   2 and name   H8 ) (residue   2 and name  H1' )  4.00  1.50  1.50
assign (residue   2 and name   H8 ) (residue   2 and name  H2'' ) 4.00  1.50  1.50
assign (residue   2 and name   H8 ) (residue   2 and name  H3' )  3.50  1.70  1.00
assign (residue   2 and name   H8 ) (residue   1 and name  H3' )  3.50  1.70  1.00
assign (residue   2 and name   H8 ) (residue   2 and name  H4' )  4.00  1.50  1.50
assign (residue   2 and name   H8 ) (residue   2 and name  H5'* )  4.00  1.50  1.50
assign (residue   3 and name   H8 ) (residue   3 and name  H1' ) 4.00  1.50  1.50 
assign (residue   3 and name   H8 ) (residue   2 and name  H1' ) 4.00  1.50  1.50
assign (residue   3 and name   H8 ) (residue   3 and name  H2'') 4.00  1.50  1.50
assign (residue   3 and name   H8 ) (residue   2 and name  H2'') 2.50  0.70  1.00
assign (residue   3 and name   H8 ) (residue   3 and name  H3' ) 3.50  1.70  1.00
assign (residue   3 and name   H8 ) (residue   2 and name  H3' ) 3.50  1.70  1.00
assign (residue   3 and name   H8 ) (residue   3 and name  H4' ) 4.00  1.50  1.50
assign (residue   3 and name   H8 ) (residue   3 and name  H5'*) 4.00  1.50  1.50 
assign (residue   4 and name   H8 ) (residue   4 and name  H1' )  3.80  2.00  1.00
assign (residue   4 and name   H8 ) (residue   3 and name  H1' )  4.00  1.50  1.50
assign (residue   4 and name   H8 ) (residue   4 and name H5'* )  4.00  1.50  1.50
assign (residue   4 and name   H8 ) (residue   4 and name  H2'')  3.50  1.70  1.00
assign (residue   4 and name   H8 ) (residue   3 and name  H2'')  2.50  0.70  1.00
assign (residue   4 and name   H8 ) (residue   4 and name H3'  )  3.50  1.70  1.00
assign (residue   4 and name   H8 ) (residue   3 and name H3'  )  3.50  1.70  1.00
assign (residue   4 and name   H8 ) (residue   4 and name H4'  )  4.00  1.50  1.50
assign (residue   4 and name   H8 ) (residue   5 and name H5  )   3.71  1.90  1.00
assign (residue   5 and name   H6 ) (residue   4 and name  H1' )  4.00  1.50  1.50
assign (residue   5 and name   H6 ) (residue   5 and name  H1' )  4.00  1.50  1.50
assign (residue   5 and name   H6 ) (residue   6 and name  H2'' ) 4.00  1.50  1.50
assign (residue   5 and name   H6 ) (residue   5 and name  H5  )  2.50  0.70  1.00
assign (residue   5 and name   H6 ) (residue   4 and name  H2'' )  2.50  0.70  1.0
assign (residue   5 and name   H6 ) (residue   5 and name H3'  )  3.50  1.70  1.00
assign (residue   5 and name   H6 ) (residue   4 and name H3'  )  3.50  1.70  1.00
assign (residue   6 and name   H8 ) (residue   5 and name  H1' )  4.00  1.50  1.50
assign (residue   6 and name   H8 ) (residue   6 and name  H2'' )  4.00  1.50  1.50
assign (residue   6 and name   H8 ) (residue   6 and name  H3'  )  3.50  1.70  1.00
assign (residue   6 and name   H8 ) (residue   5 and name  H3'  )  4.00  1.50  1.50
assign (residue   6 and name   H8 ) (residue   5 and name  H2'' )  3.50  1.70  1.00
assign (residue   6 and name   H8 ) (residue   6 and name H5'* )  4.00  1.50  1.50
assign (residue   6 and name   H8 ) (residue   6 and name  H4' )  4.00  1.50  1.50
assign (residue   7 and name   H6 ) (residue   7 and name  H1' )  3.00  1.20  1.00
assign (residue   7 and name   H6 ) (residue   7 and name  H2'' )  2.50  0.70  1.00
assign (residue   7 and name   H6 ) (residue   6 and name  H1' )  4.00  1.50  1.50
assign (residue   7 and name   H6)  (residue   7 and name  H3' )  3.50  1.70  1.00
assign (residue   7 and name   H6)  (residue   8 and name  H5 )  4.00  1.50  1.50
assign (residue   7 and name   H6)  (residue   7 and name  H5'* )  3.50  1.70  1.00
assign (residue   7 and name   H5)  (residue   7 and name  H2'' )  4.00  1.50  1.50
assign (residue   8 and name   H6 ) (residue   8 and name  H1' )  4.00  1.50  1.50
assign (residue   8 and name   H6 ) (residue   7 and name  H1' )  4.00  1.50  1.50
assign (residue   8 and name   H6 ) (residue   8 and name  H2'' )  4.00  1.50  1.50
assign (residue   8 and name   H6 ) (residue   8 and name  H3'  )  3.50  1.70  1.00
assign (residue   8 and name   H6 ) (residue   7 and name  H2'' )  4.00  1.50  1.50
assign (residue   8 and name   H6 ) (residue   9 and name  H5 )  4.00  1.50  1.50
assign (residue   9 and name   H6 ) (residue   8 and name  H1' )  4.00  1.50  1.50
assign (residue   9 and name   H6 ) (residue   9 and name  H1' )  2.50  0.70  1.00
assign (residue   9 and name   H6 ) (residue   8 and name  H3' )  3.50  1.70  1.00
assign (residue   9 and name   H6 ) (residue   9 and name  H2'')  2.50  0.70  1.00
assign (residue   9 and name   H6 ) (residue  10 and name   H5 )  4.00  1.50  1.50
assign (residue   9 and name   H6 ) (residue   9 and name H5'* )  4.00  1.50  1.50
assign (residue  10 and name   H6 ) (residue   9 and name  H1' )  4.00  1.50  1.50
assign (residue  10 and name   H6 ) (residue   9 and name  H2'')  4.00  1.50  1.50
assign (residue  10 and name   H6 ) (residue  10 and name   H5 )  2.50  0.70  1.00
assign (residue  10 and name   H6 ) (residue  10 and name  H1' )  4.00  1.50  1.50
assign (residue  10 and name   H6 ) (residue  10 and name  H2'' )  4.00  1.50  1.50
assign (residue  11 and name   H8 ) (residue  11 and name   H4' ) 4.00  1.50  1.50
assign (residue  11 and name   H8 ) (residue  11 and name  H1' )  4.00  1.50  1.50
assign (residue  11 and name   H8 ) (residue  10 and name  H1' )  3.50  1.70  1.00
assign (residue  11 and name   H8 ) (residue  11 and name   H3' )  3.50  1.70  1.00
assign (residue  11 and name   H8 ) (residue  10 and name   H3' )  3.50  1.70  1.00
assign (residue  11 and name   H8 ) (residue  11 and name  H2'' )  4.00  1.50  1.50
assign (residue  11 and name   H8 ) (residue  10 and name  H2'' )  2.50  0.70  1.00
assign (residue  12 and name   H8 ) (residue  12 and name  H1' )  3.50  1.70  1.00
assign (residue  12 and name   H8 ) (residue  11 and name  H1' )  3.50  1.70  1.00
assign (residue  12 and name   H8 ) (residue  11 and name  H2'' ) 3.50  1.70  1.00
assign (residue  12 and name   H8 ) (residue  12 and name  H2'' ) 4.00  1.50  1.50
assign (residue  12 and name   H8 ) (residue  12 and name  H3' )  2.50  0.70  1.00
assign (residue  12 and name   H8 ) (residue  11 and name  H3' )  2.50  0.70  1.00
assign (residue  12 and name   H8 ) (residue  13 and name  H5 )   4.00  1.50  1.50
assign (residue  13 and name   H6 ) (residue  12 and name  H1' )  3.50  1.70  1.00
assign (residue  13 and name   H6 ) (residue  13 and name  H1' )  3.50  1.70  1.00
assign (residue  13 and name   H6 ) (residue  13 and name   H5 )  2.50  0.70  1.00
assign (residue  13 and name   H6 ) (residue  12 and name  H3' )  4.00  1.50  1.50
assign (residue  13 and name   H6 ) (residue  12 and name  H2'' )  2.50  0.70  1.00
assign (residue  13 and name   H6 ) (residue  13 and name H5'* )  4.00  1.50  1.50
assign (residue  13 and name   H6 ) (residue  13 and name  H3' )  4.00  1.50  1.50
assign (residue  13 and name   H6 ) (residue  13 and name  H4' )  4.00  1.50  1.50
assign (residue  13 and name   H6 ) (residue  13 and name  H2'' )  3.50  1.70  1.00
assign (residue  13 and name   H5 ) (residue  12 and name H2''  )  3.50  1.70  1.00
assign (residue  13 and name   H5 ) (residue  13 and name H5'* )   4.00  1.50  1.50 
assign (residue  14 and name   H8 ) (residue  13 and name   H5 )  3.50  1.70  1.00
assign (residue  14 and name   H8 ) (residue  13 and name  H1' )  3.50  1.70  1.00
assign (residue  14 and name   H8 ) (residue  14 and name  H1' )  3.50  1.70  1.00
assign (residue  14 and name   H8 ) (residue  14 and name H5'* )  4.00  1.50  1.50
assign (residue  14 and name   H8 ) (residue  13 and name  H4' )  4.00  1.50  1.50
assign (residue  14 and name   H8 ) (residue  13 and name  H2'' ) 2.50  0.70  1.00
assign (residue  14 and name   H8 ) (residue  13 and name  H3' )  3.50  0.70  1.00
assign (residue  14 and name   H8 ) (residue  14 and name  H2'' ) 4.00  1.50  1.50
assign (residue  14 and name   H8 ) (residue  14 and name  H3' )  3.50  0.70  1.50
assign (residue  15 and name   H8 ) (residue  15 and name  H1' )  2.50  0.70  1.00
assign (residue  15 and name   H8 ) (residue  15 and name  H3' )  3.50  1.70  1.00
assign (residue  15 and name   H8 ) (residue  15 and name  H2'' ) 3.00  1.20  1.00
assign (residue  15 and name   H8 ) (residue  15 and name  H5'*)  4.00  2.70  1.50
assign (residue  15 and name   H8 ) (residue  15 and name  H4' )  4.00  2.20  1.50
assign (residue  16 and name   H6 ) (residue  16 and name  H1' )  3.50  1.70  1.00
assign (residue  16 and name   H6 ) (residue  15 and name  H1' )  4.00  1.50  1.50
assign (residue  16 and name   H6 ) (residue  16 and name  H2'')  2.50  0.70  1.00
assign (residue  16 and name   H6 ) (residue  16 and name  H5  )  2.50  0.70  1.00
assign (residue  16 and name   H6 ) (residue  16 and name  H3' )  4.00  1.50  1.50
assign (residue  16 and name   H6 ) (residue  16 and name  H4' )  4.00  1.50  1.50
assign (residue  16 and name   H6 ) (residue  16 and name  H5'* ) 3.50  1.70  1.00
assign (residue 16 and name  H5 ) (residue  16 and name H2'')     4.00  1.50  1.50
assign (residue 16 and name  H5 ) (residue  15 and name H2'')     4.50  2.70  1.00
assign (residue 16 and name  H5 ) (residue  15 and name H3' )     4.50  2.70  1.00
assign (residue  17 and name   H8 ) (residue  16 and name  H1' )  4.00  1.50  1.50
assign (residue  17 and name   H8 ) (residue  17 and name  H1' )  3.50  1.70  1.00
assign (residue  17 and name   H8 ) (residue  16 and name  H2'')  4.00  1.50  1.50
assign (residue  17 and name   H8 ) (residue  17 and name  H2'')  2.50  1.70  1.00
assign (residue  17 and name   H8 ) (residue  17 and name  H5'*)  3.50  1.70  1.00
assign (residue  18 and name   H6 ) (residue  18 and name  H1' )  3.50  1.70  1.00
assign (residue  18 and name   H6 ) (residue  17 and name  H1' )  4.00  1.50  1.50
assign (residue  18 and name   H6 ) (residue  17 and name  H2'' ) 3.50  0.70  1.00
assign (residue  18 and name   H6 ) (residue  17 and name  H5' )  3.50  1.70  1.00
assign (residue  18 and name   H6 ) (residue  17 and name  H5'' ) 3.50  1.70  1.00
assign (residue  18 and name   H6 ) (residue  19 and name  H5)    4.50  2.70  1.00
assign (residue  18 and name   H5)  (residue 18 and name H2'')   4.00  1.50 1.50
assign (residue  19 and name   H6 ) (residue  20 and name   H5 )  4.00  1.50  1.50
assign (residue  19 and name   H6 ) (residue  18 and name  H3' )  4.00  1.50  1.50
assign (residue  19 and name   H6 ) (residue  19 and name  H1' )  4.00  1.50  1.50
assign  (residue  19 and name  H6 )  (residue  17 and name  H1' ) 4.00  1.50  1.50 
assign (residue  19 and name   H6 ) (residue  19 and name  H2'' ) 3.50  1.70 1.00
assign (residue   19 and name   H6)  (residue  17 and name H2'' )  4.50  1.50  1.50
assign (residue  20 and name   H6 ) (residue  20 and name  H1' )  4.00  1.50  1.50
assign (residue  20 and name   H6 ) (residue  20 and name   H5 )  2.50  0.70  1.00
assign (residue  20 and name   H6 ) (residue  20 and name  H2'' )  4.00  1.50  1.50
assign (residue  20 and name   H6 ) (residue  19 and name  H1' )  4.00  1.50  1.50
assign (residue  20 and name   H6 ) (residue  19 and name  H3' )  3.50  1.70  1.00
assign (residue  20 and name   H6 ) (residue  19 and name  H2'' )  2.50  0.70  1.00
assign (residue  20 and name   H6 ) (residue  20 and name  H4' )  4.00  1.50  1.50
assign (residue  21 and name   H8 ) (residue  21 and name   H5* )  4.00  1.50  1.50
assign (residue  21 and name   H8 ) (residue  20 and name  H1' )  4.00  1.50  1.50
assign (residue  21 and name   H8 ) (residue  21 and name  H1' )  4.00  1.50  1.50
assign (residue  21 and name   H8 ) (residue  20 and name  H2'' )  2.50  0.70  1.00
assign (residue  21 and name   H8 ) (residue  21 and name  H3' )  3.50  1.70  1.00
assign (residue  21 and name   H8 ) (residue  20 and name  H3' )  3.50  1.70  1.00
assign (residue  21 and name   H8 ) (residue  21 and name  H2'' )  4.00  1.50  1.50
assign (residue  21 and name   H8 ) (residue  20 and name  H3' )  4.00  1.50  1.50
assign (residue  22 and name   H8 ) (residue  22 and name  H1' )  4.00  1.50  1.50
assign (residue  22 and name   H8 ) (residue  22 and name  H2'' ) 4.00  1.50  1.50
assign (residue  22 and name   H8 ) (residue  21 and name  H2'' ) 2.50  0.70  1.00
assign (residue  22 and name   H8 ) (residue  22 and name  H4' )  4.00  1.50  1.50
assign (residue  22 and name   H8 ) (residue  22 and name  H3' )  3.50  1.70  1.00
assign (residue  22 and name   H8 ) (residue  21 and name  H3' )  3.50  1.70  1.00
assign (residue  22 and name   H8 ) (residue  21 and name  H1' )  3.50  1.70  1.00
assign (residue  23 and name   H8 ) (residue  22 and name  H1' )  3.60  1.80  1.00
assign (residue  23 and name   H8 ) (residue  23 and name  H1' )  3.60  1.80  1.00
assign (residue  23 and name   H8 ) (residue  23 and name H5'* )  4.00  1.50  1.50
assign (residue  23 and name   H8 ) (residue  23 and name  H3' )  3.50  1.70  1.00
assign (residue  23 and name   H8 ) (residue  22 and name  H3' )  3.50  1.70  1.00
assign (residue  23 and name   H8 ) (residue  23 and name  H2'' ) 4.00  1.50  1.50
assign (residue  23 and name   H8 ) (residue  22 and name  H2'' ) 2.50  0.70  1.00
assign (residue  23 and name   H8 ) (residue  23 and name  H4' )  4.00  1.50  1.50
assign (residue  23 and name   H8 ) (residue  24 and name  H5 )  4.00  1.50  1.50
assign (residue  24 and name   H6 ) (residue  24 and name  H2'' )  3.50  1.70  1.00
assign (residue  24 and name   H6 ) (residue  23 and name  H2'' )  2.50  0.70  1.00
assign (residue  24 and name   H6 ) (residue  24 and name  H1' )  3.50  1.70  1.00
assign (residue  24 and name   H6 ) (residue  23 and name  H1' )  3.60  1.80  1.00 
assign (residue  24 and name   H6 ) (residue  24 and name  H4' )  4.00  1.50  1.50
assign (residue  24 and name   H6 ) (residue  24 and name  H5'*)  4.00  1.50  1.50
assign (residue  25 and name   H8 ) (residue  25 and name  H1' )  4.00  1.50  1.50
assign (residue  25 and name   H8 ) (residue  24 and name  H1' )  4.00  1.50  1.50
assign (residue  25 and name   H8 ) (residue  24 and name  H2'' )  2.50  0.70  1.00
assign (residue  25 and name   H8 ) (residue  25 and name  H2'' )  4.00  1.50  1.50
assign (residue  25 and name   H8 ) (residue  25 and name H5'* )  4.00  1.50  1.50
assign (residue  25 and name   H8 ) (residue  26 and name H5 )  4.00  1.50  1.50
assign (residue  26 and name   H6 ) (residue  25 and name  H1' )  4.00  1.50  1.50
assign (residue  26 and name   H6 ) (residue  26 and name  H1' )  4.00  1.50  1.50
assign (residue  26 and name   H6 ) (residue  25 and name  H2'' )  3.50  1.70  1.00
assign (residue  26 and name   H6 ) (residue  26 and name  H2'' )  4.00  1.50  1.50
assign (residue  26 and name   H6 ) (residue  26 and name  H3' )  3.50  1.70  1.00
assign (residue  26 and name   H6 ) (residue  26 and name H5'* )  4.00  1.50  1.50
assign (residue  26 and name   H6 ) (residue  26 and name  H1' )  4.00  1.50  1.50
assign (residue  27 and name   H6 ) (residue  27 and name   H5 )  2.50  0.70  1.00
assign (residue  27 and name   H6 ) (residue  27 and name  H1' )  4.00  1.50  1.50
assign (residue  27 and name   H6 ) (residue  26 and name  H1' )  4.00  1.50  1.50
assign (residue  27 and name   H6 ) (residue  26 and name  H2'' ) 4.00  1.50  1.50
assign (residue  27 and name   H6 ) (residue  27 and name H5'* )  4.00  1.50  1.50
assign (residue  28 and name   H6 ) (residue  28 and name   H5 )  2.50  0.70  1.00
assign (residue  28 and name   H6 ) (residue  28 and name  H1' )  4.00  1.50  1.50
assign (residue  28 and name   H6 ) (residue  27 and name  H1' )  4.00  1.50  1.50
assign (residue  28 and name   H6 ) (residue  27 and name  H2'')  3.50  1.70  1.00
assign (residue  28 and name   H6 ) (residue  28 and name H5'* )  4.00  1.50  1.50
assign (residue  29 and name   H6 ) (residue  29 and name   H5 )  2.50  0.70  1.00
assign (residue  29 and name   H6 ) (residue  29 and name  H1' )  4.00  1.50  1.50
assign (residue  29 and name   H6 ) (residue  28 and name  H2'' )  2.50  0.70  1.00
assign (residue  29 and name   H6 ) (residue  29 and name  H2'' )  3.50  1.70  1.00
assign (residue  29 and name   H6 ) (residue  29 and name  H1' )  4.00  1.50  1.50
assign (residue  29 and name   H6 ) (residue  29 and name  H4' )  4.00  1.50  1.50
assign (residue 3 and name   H2 ) (residue 28 and name  H1' )  3.50  1.70  1.00
assign (residue 3 and name   H2 ) (residue 4 and name  H1' )  3.50  1.70  1.00
assign (residue 12 and name H2 ) (residue 20 and name H1' )  3.50  1.70  1.00
assign (residue 12 and name H2 ) (residue 13 and name H1' )  3.50  1.70  1.00
assign (residue 11 and name  H2 ) (residue 21 and name  H1' )  3.50  1.70  1.00
assign (residue 11 and name  H2 ) (residue 12 and name  H1' )  3.50  1.70  1.00
assign (residue 11 and name  H2 ) (residue 12 and name  H2 )  4.00  2.20  1.50
assign (residue  14 and name   H2 ) (residue  17 and name  H2'' )  4.50  1.50  1.50
assign (residue  14 and name   H2 ) (residue  17 and name  H1' )  4.50  1.50  1.50
assign (residue  14 and name   H2 ) (residue  15 and name  H1' )  4.50  1.50  1.50
assign (residue  23 and name   H2 ) (residue  24 and name  H1' )  3.20  1.40  1.00
assign (residue  23 and name   H2 ) (residue   9 and name  H1' )  3.70  1.90  1.00
assign (residue   1 and name  H1' ) (residue   1 and name  H2'' )  2.50  0.70  1.00
assign (residue   1 and name  H1' ) (residue   1 and name  H3' )  4.00  1.50  1.50
assign (residue   1 and name  H1' ) (residue   1 and name  H4' )  4.00  1.50  1.50
assign (residue   2 and name  H1' ) (residue   2 and name  H2'' )  2.50  0.70  1.00
assign (residue   2 and name  H1' ) (residue   2 and name  H4' )  2.50  0.70  1.00
assign (residue  15 and name  H1' ) (residue  16 and name H5'* )  4.00 2.70 1.00
assign (residue   17 and name  H1' ) (residue   17 and name  H4' )  4.00  1.50  1.50
assign (residue  1 and  name H2'' ) (residue   2  and name H5'*)   3.50  1.70  1.00
assign (residue  17 and  name H2'' ) (residue   18 and name H5'*)   3.50  1.70  1.00
assign (residue 5  and name h3 )  (residue 25 and name h1 ) 3.00 1.20 1.00 
assign (residue 4  and name h1 )  (residue 25 and name h1 ) 4.20 2.40 1.60
assign (residue 4  and name h1 )  (residue 5 and name h3 ) 4.20 2.40 1.60
assign (residue 27  and name h3 )  (residue 4 and name h1 ) 4.20 2.40 1.60
assign (residue 9  and name h3 ) (residue 8 and name h3 ) 4.20 2.40 1.60
assign (residue 9  and name h3 ) (residue 22 and name h1 ) 4.20 2.40 1.60
assign (residue 21  and name h1 ) (residue 22 and name h1 ) 4.20 2.40 1.60
assign (residue 3 and name h2 ) (residue 27 and name h3 ) 2.80 1.00 1.20
assign (residue 12 and name h2 ) (residue 19 and name h3 ) 2.80 1.00 1.20
assign (residue 23 and name h2 ) (residue 8 and name h3) 2.80 1.00 1.20
assign (residue 11 and name h2 ) (residue 20 and name h3 ) 2.80 1.00 1.20
assign (residue 12 and name h2 ) (residue 20 and name h3 ) 4.20 2.40 2.40
assign (residue 23 and name h2 ) (residue 22 and name h1 ) 4.20 2.40 1.20
assign (residue 3 and name n6 ) (residue 27 and name h3 ) 3.90 2.10 2.10
assign (residue 3 and name n6 ) (residue 2 and name h1 ) 3.90 2.10 2.10
assign (residue 3 and name n6 ) (residue 4 and name h1 ) 3.90 2.10 2.10
assign (residue 11 and name n6 ) (residue 20 and name h3 ) 3.90 2.10 2.10
assign (residue 11 and name n6 ) (residue 21 and name h1 ) 4.20 2.40 2.40
assign (residue 1  and name h1 ) (residue 29 and name n4 ) 3.90 2.10 2.10
assign (residue 4  and name h1 ) (residue 26 and name n4 ) 3.90 2.10 2.10
assign (residue 2  and name h1 ) (residue 28 and name n4 ) 3.90 2.10 2.10
assign (residue 6  and name h1 ) (residue 24  and name n4 ) 3.90 2.10 2.10
assign (residue 21  and name h1 ) (residue 10 and name n4 ) 3.90 2.10 2.10
assign (residue 25  and name n2 ) (residue 6 and name h1 ) 3.90 2.10 2.10
assign (residue 25  and name n2 ) (residue 5 and name h3 ) 3.90 2.10 2.10 
assign (residue 2 and name n2 ) (residue 3  and name h1' ) 3.90 2.10 2.10
assign (residue 2 and name n2 ) (residue 29  and name h1' ) 3.90 2.10 2.10
assign (residue 1  and name n2 ) (residue 2   and name h1' ) 3.90 2.10 2.10
assign (residue 4 and name n2 ) (residue 5  and name h1' ) 3.90 2.10 2.10
assign (residue 4 and name n2 ) (residue 27 and name h1' ) 3.90 2.10 2.10
assign (residue 6 and name n2 ) (residue 25  and name h1' ) 3.90 2.10 2.10
assign (residue 21 and name n2 ) (residue 22   and name h1' ) 3.90 2.10 2.10
assign (residue 21 and name n2 ) (residue 11  and name h1' ) 3.90 2.10 2.10
assign (residue 22 and name n2 ) (residue 23  and name h1' ) 3.90 2.10 2.10
assign (residue 22 and name n2 ) (residue 10 and name h1' ) 3.90 2.10 2.10
assign (residue 25 and name n2 ) (residue 26 and name h1' ) 3.90 2.10 2.10
assign (residue 25 and name n2 ) (residue 6 and name h1' ) 3.90 2.10 2.10
assign (residue 24 and name n4 ) (residue 5  and name h3 ) 3.90 2.10 2.10
assign (residue  28 and name n4 ) (residue 27  and name h3 ) 3.90 2.10 2.10
assign (residue 10 and name n4 ) (residue 20  and name h3 ) 3.90 2.10 2.10
assign (resid 13 and name H6) (resid 14 and name H8) 6.0 4.2 0.0
assign (resid 19 and name H6) (resid 20 and name H6) 6.0 4.2 0.0
assign (resid 20 and name H6) (resid 21 and name H8) 6.0 4.2 0.0
assign (resid 22 and name H8) (resid 23 and name H8) 6.0 4.2 0.0
assign (resid 17 and name H8) (resid 19 and name H6) 6.0 4.2 0.0
assign (residue  2 and  name H2'' ) (residue   3  and name H5'*)   3.50  1.70  1.00
assign (residue  3 and  name H2'' ) (residue   4  and name H5'*)   3.50  1.70  1.00
assign (residue  4 and  name H2'' ) (residue   5  and name H5'*)   3.50  1.70  1.00
assign (residue  5 and  name H2'' ) (residue   6  and name H5'*)   3.50  1.70  1.00
assign (residue  8 and  name H2'' ) (residue   9  and name H5'*)   3.50  1.70  1.00
assign (residue  9 and  name H2'' ) (residue  10  and name H5'*)   3.50  1.70  1.00
assign (residue  11 and  name H2'' ) (residue 12  and name H5'*)   3.50  1.70  1.00
assign (residue  12 and  name H2'' ) (residue 13  and name H5'*)   3.50  1.70  1.00
assign (residue  13 and  name H2'' ) (residue 14  and name H5'*)   3.50  1.70  1.00
assign (residue  19 and  name H2'' ) (residue 20  and name H5'*)   3.50  1.70  1.00
assign (residue  21 and  name H2'' ) (residue 22  and name H5'*)   3.50  1.70  1.00
assign (residue  23 and  name H2'' ) (residue 24  and name H5'*)   3.50  1.70  1.00
assign (residue  25 and  name H2'' ) (residue 26  and name H5'*)   3.50  1.70  1.00
assign (residue  26 and  name H2'' ) (residue 27  and name H5'*)   3.50  1.70  1.00
assign (residue  27 and  name H2'' ) (residue 28  and name H5'*)   3.50  1.70  1.00
assign (residue  28 and  name H2'' ) (residue 29 and name H5'*)   3.50  1.70  1.00
assign (resid 17 and name O6)  (resid 13 and name H41)  1.9 0.5 1.0
assign (resid 17 and name H1)  (resid 13 and name N3) 1.9 0.5 1.0
assign (resid 17 and name H21) (resid 13 and name O2)  1.9 0.5 1.0
assign (resid  1 and name H1' ) (resid  1 and name H4' ) 3.35 0.30 0.30
assign (resid  2 and name H1' ) (resid  2 and name H4' ) 3.35 0.30 0.30
assign (resid  3 and name H1' ) (resid  3 and name H4' ) 3.35 0.30 0.30
assign (resid  4 and name H1' ) (resid  4 and name H4' ) 3.35 0.30 0.30
assign (resid  5 and name H1' ) (resid  5 and name H4' ) 3.35 0.30 0.30
assign (resid  6 and name H1' ) (resid  6 and name H4' ) 3.35 0.30 0.30
assign (resid  7 and name H1' ) (resid  7 and name H4' ) 3.35 0.30 0.30
assign (resid  8 and name H1' ) (resid  8 and name H4' ) 3.35 0.30 0.30
assign (resid  9 and name H1' ) (resid  9 and name H4' ) 3.35 0.30 0.30
assign (resid 10 and name H1' ) (resid 10 and name H4' ) 3.35 0.30 0.30
assign (resid 11 and name H1' ) (resid 11 and name H4' ) 3.35 0.30 0.30
assign (resid 12 and name H1' ) (resid 12 and name H4' ) 3.35 0.30 0.30
assign (resid 13 and name H1' ) (resid 13 and name H4' ) 3.35 0.30 0.30
assign (resid 14 and name H1' ) (resid 14 and name H4' ) 3.35 0.30 0.30
assign (resid 15 and name H1' ) (resid 15 and name H4' ) 3.35 0.30 0.30
assign (resid 16 and name H1' ) (resid 16 and name H4' ) 3.35 0.30 0.30
assign (resid 17 and name H1' ) (resid 17 and name H4' ) 3.35 0.30 0.30
assign (resid 18 and name H1' ) (resid 18 and name H4' ) 3.35 0.30 0.30
assign (resid 19 and name H1' ) (resid 19 and name H4' ) 3.35 0.30 0.30
assign (resid 20 and name H1' ) (resid 20 and name H4' ) 3.35 0.30 0.30
assign (resid 21 and name H1' ) (resid 21 and name H4' ) 3.35 0.30 0.30
assign (resid 22 and name H1' ) (resid 22 and name H4' ) 3.35 0.30 0.30
assign (resid 23 and name H1' ) (resid 23 and name H4' ) 3.35 0.30 0.30
assign (resid 24 and name H1' ) (resid 24 and name H4' ) 3.35 0.30 0.30
assign (resid 25 and name H1' ) (resid 25 and name H4' ) 3.35 0.30 0.30
assign (resid 26 and name H1' ) (resid 26 and name H4' ) 3.35 0.30 0.30
assign (resid 27 and name H1' ) (resid 27 and name H4' ) 3.35 0.30 0.30
assign (resid 28 and name H1' ) (resid 28 and name H4' ) 3.35 0.30 0.30
assign (resid 29 and name H1' ) (resid 29 and name H4' ) 3.35 0.30 0.30
assign (resid 1 and name O6)  (resid 29 and name H42)  1.9 0.5 0.3
assign (resid 1 and name O6)  (resid 29 and name N4)  3.0 0.28 0.08
assign (resid 1 and name H1)  (resid 29 and name N3) 1.9 0.5 0.12
assign (resid 1 and name N1)  (resid 29 and name N3)   3.0 0.25 0.15
assign (resid 1 and name H22) (resid 29 and name O2)  1.9 0.5 0.3
assign (resid 1 and name N2) (resid 29 and name O2)   3.0 0.28 0.08
assign (resid 2 and name O6)  (resid 28 and name H42)  1.9 0.5 0.3
assign (resid 2 and name O6)  (resid 28 and name N4)  3.0 0.28 0.08
assign (resid 2 and name H1)  (resid 28 and name N3) 1.9 0.5 0.12
assign (resid 2 and name N1)  (resid 28 and name N3)   3.0 0.25 0.15
assign (resid 2 and name H22) (resid 28 and name O2)  1.9 0.5 0.3
assign (resid 2 and name N2) (resid 28 and name O2)   3.0 0.28 0.08
assign (resid 3 and name H62)  (resid 27 and name O4) 1.9 0.5 0.3
assign (resid 3 and name N6)  (resid 27 and name O4)  3.0 0.28 0.08
assign (resid 3 and name N1)  (resid 27 and name N3)  3.0 0.25 0.15
assign (resid 3 and name N1)  (resid 27 and name H3)  1.9 0.5 0.12
assign (resid 4 and name O6)  (resid 26 and name H42)  1.9 0.5 0.3
assign (resid 4 and name O6)  (resid 26 and name N4)  3.0 0.28 0.08
assign (resid 4 and name H1)  (resid 26 and name N3) 1.9 0.5 0.12
assign (resid 4 and name N1)  (resid 26 and name N3)   3.0 0.25 0.15
assign (resid 4 and name H22) (resid 26 and name O2)  1.9 0.5 0.3
assign (resid 4 and name N2)  (resid 26 and name O2)   3.0 0.28 0.08
assign (resid 5 and name H3)  (resid 25 and name O6) 1.9 0.5 0.1
assign (resid 5 and name N3)  (resid 25 and name O6) 3.0 0.28 0.08
assign (resid 5 and name O2)  (resid 25 and name H1)  1.9 0.5 0.1
assign (resid 5 and name O2)  (resid 25 and name N1) 3.0 0.28 0.08
assign (resid 6 and name O6)  (resid 24 and name H42)  1.9 0.5 0.3
assign (resid 6 and name O6)  (resid 24 and name N4)  3.0 0.28 0.08
assign (resid 6 and name H1)  (resid 24 and name N3) 1.9 0.5 0.12
assign (resid 6 and name N1)  (resid 24 and name N3)   3.0 0.25 0.15
assign (resid 6 and name H22) (resid 24 and name O2)  1.9 0.5 0.3
assign (resid 6 and name N2)  (resid 24 and name O2)   3.0 0.28 0.08
assign (resid 9 and name H3)  (resid 22 and name O6) 1.9 0.5 0.1
assign (resid 9 and name N3)  (resid 22 and name O6) 3.0 0.28 0.08
assign (resid 9 and name O2)  (resid 22 and name H1)  1.9 0.5 0.1
assign (resid 9 and name O2)  (resid 22 and name N1) 3.0 0.28 0.12
assign (resid 10 and name H42) (resid 21 and name O6)  1.9 0.5 0.3
assign (resid 10 and name N4) (resid 21 and name O6)    3.0 0.28 0.08
assign (resid 10 and name N3)  (resid 21 and name H1)  1.9 0.5 0.12
assign (resid 10 and name N3)  (resid 21 and name N1)   3.0 0.25 0.15
assign (resid 10 and name O2)  (resid 21 and name H22)  1.9 0.5 0.3
assign (resid 10 and name O2)  (resid 21 and name N2)  3.0 0.28 0.08
assign (resid 11 and name H62)  (resid 20 and name O4) 1.9 0.5 0.3
assign (resid 11 and name N6)  (resid 20 and name O4)  3.0 0.28 0.08
assign (resid 11 and name N1)  (resid 20 and name N3)  2.95 0.5 0.05
assign (resid 11 and name N1)  (resid 20 and name H3)  1.93 0.05 0.05
assign (resid 12 and name H62)  (resid 19 and name O4) 1.9 0.5 0.3
assign (resid 12 and name N6)  (resid 19 and name O4)  3.0 0.28 0.08
assign (resid 12 and name N1)  (resid 19 and name N3)  3.0 0.25 0.15
assign (resid 12 and name N1)  (resid 19 and name H3)  1.9 0.5 0.12
assign (resid 23 and name H62)  (resid 8 and name O4) 1.9 0.5 0.3
assign (resid 23 and name N6)  (resid 8 and name O4)  3.0 0.28 0.08
assign (resid 23 and name N1)  (resid 8 and name N3)  3.0 0.25 0.15
assign (resid 23 and name N1)  (resid 8 and name H3)  1.9 0.5 0.12

!Residual Dipolar Coupling Restraints

! 13C-1H
 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   3 and name C2 )
        ( resid   3 and name H2 )  13.40 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C2 )
        ( resid  11 and name H2 )  21.78 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C2 )
        ( resid  12 and name H2 )  24.57 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C2 )
        ( resid  14 and name H2 )  16.24 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  23 and name C2 )
        ( resid  23 and name H2 )  21.99 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C8 )
        ( resid   1 and name H8 )  20.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C8 )
        ( resid   2 and name H8 )  14.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   3 and name C8 )
        ( resid   3 and name H8 )  12.28 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name C8 )
        ( resid   4 and name H8 )  19.41 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C8 )
        ( resid   6 and name H8 )  24.02 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C8 )
        ( resid  11 and name H8 )  25.02 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C8 )
        ( resid  12 and name H8 )  24.43 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C8 )
        ( resid  14 and name H8 )  13.66 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C8 )
        ( resid  15 and name H8 )  11.78 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C8 )
        ( resid  17 and name H8 )  17.40 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name C8 )
        ( resid  21 and name H8 )  25.46 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name C8 )
        ( resid  22 and name H8 )  24.66 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  23 and name C8 )
        ( resid  23 and name H8 )  19.35 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C8 )
        ( resid  25 and name H8 )  20.99 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C6 )
        ( resid   5 and name H6 )  17.74 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C6 )
        ( resid   7 and name H6 )   3.63 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C6 )
        ( resid   8 and name H6 )  18.23 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C6 )
        ( resid   9 and name H6 )  19.52 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C6 )
        ( resid  10 and name H6 )   8.58 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C6 )
        ( resid  13 and name H6 )  15.99 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C6 )
        ( resid  16 and name H6 )  15.74 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  18 and name C6 )
        ( resid  18 and name H6 )   6.51 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C6 )
        ( resid  19 and name H6 )  22.98 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C6 )
        ( resid  20 and name H6 )  23.42 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C6 )
        ( resid  24 and name H6 )  15.67 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C6 )
        ( resid  26 and name H6 )  17.65 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C6 )
        ( resid  27 and name H6 )  16.02 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C6 )
        ( resid  29 and name H6 )  12.25 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C5 )
        ( resid   5 and name H5 )  15.40 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C5 )
        ( resid   8 and name H5 )  19.08 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C5 )
        ( resid   9 and name H5 )  17.99 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C5 )
        ( resid  10 and name H5 )  15.54 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C5 )
        ( resid  13 and name H5 )  23.76 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C5 )
        ( resid  16 and name H5 )  -4.18 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C5 )
        ( resid  19 and name H5 )  11.29 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C5 )
        ( resid  20 and name H5 )  17.71 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C5 )
        ( resid  24 and name H5 )  16.18 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C5 )
        ( resid  26 and name H5 )  21.43 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C5 )
        ( resid  27 and name H5 )  22.94 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  28 and name C5 )
        ( resid  28 and name H5 )  21.16 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C5 )
        ( resid  29 and name H5 )  17.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C1')
        ( resid   1 and name H1') -12.22 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C1')
        ( resid   2 and name H1') -20.83 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name C1')
        ( resid   4 and name H1') -33.27 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C1')
        ( resid   5 and name H1') -24.26 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C1')
        ( resid   6 and name H1')  11.07 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C1')
        ( resid   7 and name H1')  -7.22 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C1')
        ( resid   8 and name H1') -29.07 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C1')
        ( resid   9 and name H1') -22.01 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C1')
        ( resid  10 and name H1') -19.49 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C1')
        ( resid  11 and name H1') -23.90 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C1')
        ( resid  12 and name H1') -16.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C1')
        ( resid  13 and name H1')  -8.49 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C1')
        ( resid  14 and name H1') -12.19 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C1')
        ( resid  15 and name H1')   9.78 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C1')
        ( resid  16 and name H1')  -1.71 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C1')
        ( resid  17 and name H1')  11.86 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C1')
        ( resid  19 and name H1') -16.31 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C1')
        ( resid  20 and name H1') -11.94 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name C1')
        ( resid  21 and name H1')  -6.03 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name C1')
        ( resid  22 and name H1') -19.75 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  23 and name C1')
        ( resid  23 and name H1') -20.33 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C1')
        ( resid  24 and name H1') -18.63 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C1')
        ( resid  25 and name H1') -22.98 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C1')
        ( resid  26 and name H1') -20.48 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C1')
        ( resid  27 and name H1') -15.30 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C1')
        ( resid  29 and name H1')  -8.72 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C2')
        ( resid   1 and name H2'')  16.76 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C2')
        ( resid   2 and name H2'')  11.23 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   3 and name C2')
        ( resid   3 and name H2'')   0.32 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name C2')
        ( resid   4 and name H2'')  13.61 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C2')
        ( resid   6 and name H2'')  10.24 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C2')
        ( resid   7 and name H2'')  -3.90 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C2')
        ( resid   8 and name H2'')   9.69 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C2')
        ( resid  10 and name H2'')   4.31 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C2')
        ( resid  11 and name H2'')  13.03 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C2')
        ( resid  12 and name H2'')  10.91 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C2')
        ( resid  13 and name H2'')  10.59 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C2')
        ( resid  14 and name H2'')  12.46 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C2')
        ( resid  15 and name H2'')   5.48 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C2')
        ( resid  16 and name H2'') -10.35 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C2')
        ( resid  17 and name H2'')   0.24 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  18 and name C2')
        ( resid  18 and name H2'')  -3.62 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C2')
        ( resid  19 and name H2'')   3.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C2')
        ( resid  20 and name H2'')   5.38 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name C2')
        ( resid  21 and name H2'')  10.00 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name C2')
        ( resid  22 and name H2'')  10.49 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  23 and name C2')
        ( resid  23 and name H2'')  11.52 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C2')
        ( resid  24 and name H2'')  18.26 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C2')
        ( resid  25 and name H2'')  23.35 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C2')
        ( resid  29 and name H2'')  11.71 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   3 and name C3')
        ( resid   3 and name H3')  15.14 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name C3')
        ( resid   4 and name H3')   6.92 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C3')
        ( resid   5 and name H3')  -5.99 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C3')
        ( resid   6 and name H3')   5.44 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C3')
        ( resid   8 and name H3')   0.56 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C3')
        ( resid  11 and name H3')  10.66 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C3')
        ( resid  13 and name H3')   8.60 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C3')
        ( resid  14 and name H3')   7.57 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C3')
        ( resid  15 and name H3')  -6.23 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C3')
        ( resid  16 and name H3')  10.48 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C3')
        ( resid  17 and name H3')  14.31 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C3')
        ( resid  19 and name H3')   0.42 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name C3')
        ( resid  21 and name H3')  14.70 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name C3')
        ( resid  22 and name H3')  16.16 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C3')
        ( resid  25 and name H3')  17.36 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C3')
        ( resid  26 and name H3')   3.67 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C3')
        ( resid  29 and name H3')  13.38 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C4')
        ( resid   1 and name H4')  18.09 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C4')
        ( resid   2 and name H4')  21.39 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C4')
        ( resid   5 and name H4')   6.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C4')
        ( resid   6 and name H4')  16.68 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C4')
        ( resid   7 and name H4') -10.39 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C4')
        ( resid   8 and name H4')  15.52 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C4')
        ( resid   9 and name H4')  16.09 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C4')
        ( resid  13 and name H4')  19.52 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C4')
        ( resid  14 and name H4')  13.04 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C4')
        ( resid  15 and name H4')   1.85 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C4')
        ( resid  16 and name H4')  -6.24 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C4')
        ( resid  17 and name H4')  11.63 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  18 and name C4')
        ( resid  18 and name H4')  -4.53 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C4')
        ( resid  19 and name H4')  13.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C4')
        ( resid  29 and name H4')  22.40 1.8
! 15N-1H

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name N1 )
        ( resid   2 and name H1 )   7.90 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name N1 )
        ( resid   4 and name H1 )  13.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name N3 )
        ( resid   5 and name H3 )  12.71 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name N1 )
        ( resid   6 and name H1 )  10.89 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name N3 )
        ( resid   8 and name H3 )   9.17 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name N3 )
        ( resid   9 and name H3 )   9.45 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name N3 )
        ( resid  20 and name H3 )  13.46 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name N1 )
        ( resid  21 and name H1 )  12.88 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name N1 )
        ( resid  22 and name H1 )  11.93 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name N1 )
        ( resid  25 and name H1 )  14.04 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name N3 )
        ( resid  27 and name H3 )   9.55 1.8

! 13C-13C

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C6 )
        ( resid   7 and name C5 )  -0.30 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C6 )
        ( resid   8 and name C5 )   2.72 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C6 )
        ( resid  10 and name C5 )   3.33 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C6 )
        ( resid  13 and name C5 )   2.57 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C6 )
        ( resid  16 and name C5 )   0.61 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  18 and name C6 )
        ( resid  18 and name C5 )   0.30 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C6 )
        ( resid  19 and name C5 )   3.17 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C6 )
        ( resid  24 and name C5 )   4.23 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C6 )
        ( resid  26 and name C5 )   1.97 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C6 )
        ( resid  27 and name C5 )   3.72 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C6 )
        ( resid  29 and name C5 )   3.02 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C5 )
        ( resid   5 and name C4 )   2.72 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C5 )
        ( resid   7 and name C4 )   0.78 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C5 )
        ( resid   8 and name C4 )   2.38 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C5 )
        ( resid   9 and name C4 )   2.41 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C5 )
        ( resid  10 and name C4 )   2.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C5 )
        ( resid  13 and name C4 )   2.56 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C5 )
        ( resid  16 and name C4 )   1.66 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  19 and name C5 )
        ( resid  19 and name C4 )   2.56 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C5 )
        ( resid  20 and name C4 )   3.32 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C5 )
        ( resid  24 and name C4 )   2.41 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C5 )
        ( resid  26 and name C4 )   1.50 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C5 )
        ( resid  27 and name C4 )   1.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  28 and name C5 )
        ( resid  28 and name C4 )   2.54 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C5 )
        ( resid  29 and name C4 )   1.51 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C1')
        ( resid   1 and name C2')  -2.20 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C1')
        ( resid   2 and name C2')  -1.80 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   4 and name C1')
        ( resid   4 and name C2')  -1.81 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C1')
        ( resid   5 and name C2')  -2.11 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   6 and name C1')
        ( resid   6 and name C2')  -4.04 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C1')
        ( resid   7 and name C2')  -0.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   9 and name C1')
        ( resid   9 and name C2')  -1.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C1')
        ( resid  10 and name C2')  -1.96 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  11 and name C1')
        ( resid  11 and name C2')   0.06 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C1')
        ( resid  12 and name C2')  -2.89 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C1')
        ( resid  13 and name C2')  -3.16 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C1')
        ( resid  14 and name C2')  -1.08 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C1')
        ( resid  15 and name C2')  -2.11 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C1')
        ( resid  16 and name C2')  -0.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C1')
        ( resid  17 and name C2')  -0.50 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  20 and name C1')
        ( resid  20 and name C2')  -1.81 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  21 and name C1')
        ( resid  21 and name C2')  -3.17 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  22 and name C1')
        ( resid  22 and name C2')  -3.01 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  23 and name C1')
        ( resid  23 and name C2')  -2.86 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C1')
        ( resid  24 and name C2')  -2.41 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C1')
        ( resid  25 and name C2')  -2.72 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  26 and name C1')
        ( resid  26 and name C2')  -3.32 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  27 and name C1')
        ( resid  27 and name C2')  -1.66 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  28 and name C1')
        ( resid  28 and name C2')  -1.51 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C1')
        ( resid  29 and name C2')  -3.16 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C2')
        ( resid   1 and name C3')  -1.21 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   3 and name C2')
        ( resid   3 and name C3')   0.38 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C2')
        ( resid   5 and name C3')  -0.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C2')
        ( resid   7 and name C3')   0.75 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   8 and name C2')
        ( resid   8 and name C3')   0.60 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  10 and name C2')
        ( resid  10 and name C3')   0.90 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  12 and name C2')
        ( resid  12 and name C3')   2.76 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C2')
        ( resid  13 and name C3')   3.91 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C2')
        ( resid  14 and name C3')  -0.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C2')
        ( resid  16 and name C3')   0.91 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C2')
        ( resid  17 and name C3')   2.41 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  24 and name C2')
        ( resid  24 and name C3')  -1.64 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  25 and name C2')
        ( resid  25 and name C3')   0.00 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  29 and name C2')
        ( resid  29 and name C3')   0.30 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   1 and name C4')
        ( resid   1 and name C3')  -1.80 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   2 and name C4')
        ( resid   2 and name C3')  -0.15 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   5 and name C4')
        ( resid   5 and name C3')   0.30 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid   7 and name C4')
        ( resid   7 and name C3')   1.36 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  13 and name C4')
        ( resid  13 and name C3')  -1.35 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  14 and name C4')
        ( resid  14 and name C3')  -0.75 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  15 and name C4')
        ( resid  15 and name C3')  -1.05 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  16 and name C4')
        ( resid  16 and name C3')  -0.90 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  17 and name C4')
        ( resid  17 and name C3')  -2.01 1.8

 assign ( resid 500  and name OO  )
        ( resid 500  and name Z   )
        ( resid 500  and name X   )
        ( resid 500  and name Y   )
        ( resid  18 and name C4')
        ( resid  18 and name C3')  -1.65 1.8

!Dihedral constraints
!
!Fix Chi torsion angle of G15 to syn
assign  (resid 15 and name O4')
        (resid 15 and name C1')
        (resid 15 and name N9 )
        (resid 15 and name C4 ) 20.0 0.0 20.0 2
!Restraints of epsilon (and one beta) dihedral in Ire-1 based on
assign (resid 1 and name C4') (resid 1 and name C3') (resid 1 and name O3')
       (resid 2 and name P) 10 180 45 2
assign (resid 7 and name C4') (resid 7 and name C3') (resid 7 and name O3')
       (resid 8 and name P) 10 180 45 2
assign (resid 15 and name C4') (resid 15 and name C3') (resid 15 and name O3')
       (resid 16 and name P) 10 180 45 2
assign (resid 16 and name C4') (resid 16 and name C3') (resid 16 and name O3')
       (resid 17 and name P) 10 -60 45 2
assign (resid 17 and name C4') (resid 17 and name C3') (resid 17 and name O3')
       (resid 18 and name P) 10 180 45 2
assign (resid 18 and name C4') (resid 18 and name C3') (resid 18 and name O3')
       (resid 19 and name P) 10 180 45 2
assign (resid 29 and name P) (resid 29 and name O5') (resid 29 and name C5')
       (resid 29 and name C4') 10 180 45 2
!	endocyclic angle constraints sugar puckers of IRE-1
assign (resid 1 and name C4')
	(resid 1 and name O4')
	(resid 1 and name C1')
	(resid 1 and name C2') 10.0 -10.0 20.0 2
assign (resid 2 and name C4')
        (resid 2 and name O4')
        (resid 2 and name C1')
        (resid 2 and name C2') 10.0 -10.0 20.0 2
assign (resid 3 and name C4')
        (resid 3 and name O4')
        (resid 3 and name C1')
        (resid 3 and name C2') 10.0 -10.0 20.0 2
assign (resid 4 and name C4')
        (resid 4 and name O4')
        (resid 4 and name C1')
        (resid 4 and name C2') 10.0 -10.0 20.0 2
assign (resid 5 and name C4')
        (resid 5 and name O4')
        (resid 5 and name C1')
        (resid 5 and name C2') 10.0 -10.0 20.0 2
assign (resid 8 and name C4')
        (resid 8 and name O4')
        (resid 8 and name C1')
        (resid 8 and name C2') 10.0 -10.0 20.0 2
assign (resid 9 and name C4')
        (resid 9 and name O4')
        (resid 9 and name C1')
        (resid 9 and name C2') 10.0 -10.0 20.0 2
assign (resid 10 and name C4')
        (resid 10 and name O4')
        (resid 10 and name C1')
        (resid 10 and name C2') 10.0 -10.0 20.0 2
assign (resid 11 and name C4')
        (resid 11 and name O4')
        (resid 11 and name C1')
        (resid 11 and name C2') 10.0 -10.0 20.0 2
assign (resid 12 and name C4')
        (resid 12 and name O4')
        (resid 12 and name C1')
        (resid 12 and name C2') 10.0 -10.0 20.0 2
assign (resid 13 and name C4')
        (resid 13 and name O4')
        (resid 13 and name C1')
        (resid 13 and name C2') 10.0 -10.0 20.0 2
assign (resid 14 and name C4')
        (resid 14 and name O4')
        (resid 14 and name C1')
        (resid 14 and name C2') 10.0 -10.0 20.0 2
assign (resid 22 and name C4')
        (resid 22 and name O4')
        (resid 22 and name C1')
        (resid 22 and name C2') 10.0 -10.0 20.0 2
assign (resid 19 and name C4')
	(resid 19 and name O4')
	(resid 19 and name C1')
	(resid 19 and name C2') 10.0 -10.0 20.0 2
assign (resid 20 and name C4')
        (resid 20 and name O4')
        (resid 20 and name C1')
        (resid 20 and name C2') 10.0 -10.0 20.0 2
assign (resid 21 and name C4')
        (resid 21 and name O4')
        (resid 21 and name C1')
        (resid 21 and name C2') 10.0 -10.0 20.0 2
assign (resid 23 and name C4')
        (resid 23 and name O4')
        (resid 23 and name C1')
        (resid 23 and name C2') 10.0 -10.0 20.0 2
assign (resid 24 and name C4')
        (resid 24 and name O4')
        (resid 24 and name C1')
        (resid 24 and name C2') 10.0 -10.0 20.0 2
assign (resid 25 and name C4')
        (resid 25 and name O4')
        (resid 25 and name C1')
        (resid 25 and name C2') 10.0 -10.0 20.0 2
assign (resid 26 and name C4')
        (resid 26 and name O4')
        (resid 26 and name C1')
        (resid 26 and name C2') 10.0 -10.0 20.0 2
assign (resid 27 and name C4')
        (resid 27 and name O4')
        (resid 27 and name C1')
        (resid 27 and name C2') 10.0 -10.0 20.0 2
assign (resid 28 and name C4')
        (resid 28 and name O4')
        (resid 28 and name C1')
        (resid 28 and name C2') 10.0 -10.0 20.0 2
assign (resid 29 and name C4')
        (resid 29 and name O4')
        (resid 29 and name C1')
        (resid 29 and name C2') 10.0 -10.0 20.0 2
assign (resid 1 and name O4')
	(resid 1 and name C1')
	(resid 1 and name C2')
	(resid 1 and name C3') 10.0 -20.0 15.0 2
assign (resid 2 and name O4')
        (resid 2 and name C1')
        (resid 2 and name C2')
        (resid 2 and name C3') 10.0 -20.0 15.0 2
assign (resid 3 and name O4')
        (resid 3 and name C1')
        (resid 3 and name C2')
        (resid 3 and name C3') 10.0 -20.0 15.0 2
assign (resid 4 and name O4')
        (resid 4 and name C1')
        (resid 4 and name C2')
        (resid 4 and name C3') 10.0 -20.0 15.0 2
assign (resid 5 and name O4')
        (resid 5 and name C1')
        (resid 5 and name C2')
        (resid 5 and name C3') 10.0 -20.0 15.0 2
assign (resid 8 and name O4')
        (resid 8 and name C1')
        (resid 8 and name C2')
        (resid 8 and name C3') 10.0 -20.0 15.0 2
assign (resid 9 and name O4')
        (resid 9 and name C1')
        (resid 9 and name C2')
        (resid 9 and name C3') 10.0 -20.0 15.0 2
assign (resid 10 and name O4')
        (resid 10 and name C1')
        (resid 10 and name C2')
        (resid 10 and name C3') 10.0 -20.0 15.0 2
assign (resid 11 and name O4')
        (resid 11 and name C1')
        (resid 11 and name C2')
        (resid 11 and name C3') 10.0 -20.0 15.0 2
assign (resid 12 and name O4')
        (resid 12 and name C1')
        (resid 12 and name C2')
        (resid 12 and name C3') 10.0 -20.0 15.0 2
assign (resid 13 and name O4')
	(resid 13 and name C1')
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assign (resid 14 and name O4')
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assign (resid 22 and name O4')
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assign (resid 19 and name O4')
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assign (resid 20 and name O4')
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assign (resid 21 and name O4')
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assign (resid 23 and name O4')
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assign (resid 24 and name O4')
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assign (resid 25 and name O4')
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assign (resid 26 and name O4')
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assign (resid 26 and name O4')
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assign (resid 26 and name O4')
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assign (resid 27 and name O4')
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assign (resid 28 and name O4')
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assign (resid 29 and name O4')
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assign (resid 1 and name C1')
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assign (resid 2 and name C1')
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assign (resid 3 and name C1')
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assign (resid 4 and name C1')
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assign (resid 5 and name C1')
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assign (resid 8 and name C1')
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assign (resid 9 and name C1')
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assign (resid 10 and name C1')
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assign (resid 11 and name C1')
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assign (resid 12 and name C1')
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assign (resid 13 and name C1')
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assign (resid 14 and name C1')
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assign (resid 22 and name C1')
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assign (resid 19 and name C1')
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assign (resid 20 and name C1')
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assign (resid 21 and name C1')
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	(resid 21 and name C4') 10.0 25.0 15.0 2
assign (resid 23 and name C1')
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assign (resid 24 and name C1')
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assign (resid 25 and name C1')
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assign (resid 26 and name C1')
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assign (resid 27 and name C1')
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assign (resid 28 and name C1')
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assign (resid 29 and name C1')
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assign (resid 1 and name C2')
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assign (resid 2 and name C2')
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assign (resid 3 and name C2')
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assign (resid 4 and name C2')
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assign (resid 5 and name C2')
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assign (resid 8 and name C2')
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assign (resid 10 and name C2')
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assign (resid 11 and name C2')
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assign (resid 12 and name C2')
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assign (resid 13 and name C2')
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assign (resid 14 and name C2')
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assign (resid 22 and name C2')
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assign (resid 19 and name C2')
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assign (resid 20 and name C2')
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assign (resid 21 and name C2')
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assign (resid 23 and name C2')
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assign (resid 24 and name C2')
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assign (resid 25 and name C2')
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assign (resid 26 and name C2')
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assign (resid 27 and name C2')
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assign (resid 28 and name C2')
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assign (resid 29 and name C2')
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assign (resid 1 and name C3')
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assign (resid 2 and name C3')
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assign (resid 3 and name C3')
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assign (resid 4 and name C3')
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assign (resid 5 and name C3')
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assign (resid 8 and name C3')
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assign (resid 9 and name C3')
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assign (resid 10 and name C3')
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assign (resid 11 and name C3')
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assign (resid 12 and name C3')
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assign (resid 13 and name C3')
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assign (resid 14 and name C3')
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assign (resid 22 and name C3')
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assign (resid 19 and name C3')
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assign (resid 20 and name C3')
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assign (resid 21 and name C3')
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assign (resid 23 and name C3')
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assign (resid 24 and name C3')
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assign (resid 25 and name C3')
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assign (resid 26 and name C3')
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assign (resid 27 and name C3')
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assign (resid 28 and name C3')
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assign (resid 29 and name C3')
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assign (resid 6 and name C4')
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assign (resid 7 and name C4')
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assign (resid 16 and name C4')
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assign (resid 17 and name C4')
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assign (resid 18 and name C4')
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assign (resid 15 and name C4')
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assign (resid 6 and name O4')
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assign (resid 7 and name O4')
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assign (resid 16 and name O4')
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assign (resid 17 and name O4')
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assign (resid 18 and name O4')
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assign (resid 15 and name O4')
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assign (resid 6 and name C1')
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assign (resid 7 and name C1')
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assign (resid 16 and name C1')
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assign (resid 17 and name C1')
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assign (resid 18 and name C1')
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assign (resid 15 and name C1')
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assign (resid 6 and name C2')
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assign (resid 7 and name C2')
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assign (resid 16 and name C2')
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assign (resid 17 and name C2')
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assign (resid 18 and name C2')
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assign (resid 6 and name C3')
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assign (resid 7 and name C3')
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assign (resid 16 and name C3')
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assign (resid 17 and name C3')
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assign (resid 18 and name C3')
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assign (resid 15 and name C3')
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  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1 -14.930   9.766  21.580
    2   2H5*    G   1          2H5*        G   1 -15.544  11.108  22.568
    3    H4*    G   1           H4*        G   1 -14.169  10.434  24.450
    4    H3*    G   1           H3*        G   1 -12.886   8.583  22.409
    5    H2*    G   1           H2*        G   1 -12.559   6.953  24.128
    6   2HO*    G   1          2HO*        G   1 -12.113   8.927  25.670
    7    H1*    G   1           H1*        G   1 -15.003   7.174  25.290
    8    H8     G   1           H8         G   1 -15.910   7.544  21.761
    9    H1     G   1           H1         G   1 -13.833   1.629  22.903
   10   1H2     G   1          1H2         G   1 -12.682   2.943  25.921
   11   2H2     G   1          2H2         G   1 -12.835   1.542  24.885
   12    H5T    G   1           H5T        G   1 -13.275  11.805  22.649
   13   1H5*    G   2          1H5*        G   2  -9.556   9.023  25.257
   14   2H5*    G   2          2H5*        G   2  -8.068   8.617  24.378
   15    H4*    G   2           H4*        G   2  -8.977   6.914  26.122
   16    H3*    G   2           H3*        G   2  -8.111   6.269  23.283
   17    H2*    G   2           H2*        G   2  -8.571   3.987  23.690
   18   2HO*    G   2          2HO*        G   2  -9.262   3.936  26.292
   19    H1*    G   2           H1*        G   2 -10.846   4.339  25.232
   20    H8     G   2           H8         G   2 -11.549   6.559  22.435
   21    H1     G   2           H1         G   2 -11.394   0.507  20.435
   22   1H2     G   2          1H2         G   2  -9.884  -0.144  23.508
   23   2H2     G   2          2H2         G   2 -10.464  -0.779  21.985
   24   1H5*    A   3          1H5*        A   3  -6.570   3.013  25.867
   25   2H5*    A   3          2H5*        A   3  -4.836   3.396  25.837
   26    H4*    A   3           H4*        A   3  -4.938   1.042  25.564
   27    H3*    A   3           H3*        A   3  -4.539   2.542  22.963
   28    H2*    A   3           H2*        A   3  -4.576   0.519  21.741
   29   2HO*    A   3          2HO*        A   3  -3.273  -0.827  22.886
   30    H1*    A   3           H1*        A   3  -6.600  -0.732  23.100
   31    H8     A   3           H8         A   3  -7.230   2.988  22.570
   32   1H6     A   3          1H6         A   3  -9.415   2.773  18.279
   33   2H6     A   3          2H6         A   3  -9.644   1.487  17.115
   34    H2     A   3           H2         A   3  -7.725  -2.190  18.845
   35   1H5*    G   4          1H5*        G   4  -0.471   0.874  21.167
   36   2H5*    G   4          2H5*        G   4  -1.395   1.571  19.822
   37    H4*    G   4           H4*        G   4  -1.610  -1.142  21.090
   38    H3*    G   4           H3*        G   4  -1.571   0.057  18.305
   39    H2*    G   4           H2*        G   4  -2.860  -1.725  17.478
   40   2HO*    G   4          2HO*        G   4  -1.566  -3.199  19.102
   41    H1*    G   4           H1*        G   4  -4.653  -1.880  19.567
   42    H8     G   4           H8         G   4  -4.563   1.685  19.449
   43    H1     G   4           H1         G   4  -6.951  -0.530  13.969
   44   1H2     G   4          1H2         G   4  -5.615  -3.587  14.985
   45   2H2     G   4          2H2         G   4  -6.507  -2.697  13.772
   46   1H5*    U   5          1H5*        U   5  -0.562  -3.658  17.334
   47   2H5*    U   5          2H5*        U   5   0.887  -3.787  16.318
   48    H4*    U   5           H4*        U   5  -1.054  -4.672  15.112
   49    H3*    U   5           H3*        U   5   0.128  -2.050  14.147
   50    H2*    U   5           H2*        U   5  -1.472  -1.959  12.398
   51   2HO*    U   5          2HO*        U   5  -2.873  -3.857  12.046
   52    H1*    U   5           H1*        U   5  -3.640  -2.843  13.883
   53    H3     U   5           H3         U   5  -4.608   1.528  13.182
   54    H5     U   5           H5         U   5  -1.698   1.552  16.227
   55    H6     U   5           H6         U   5  -1.260  -0.778  15.736
   56   1H5*    G   6          1H5*        G   6   3.608  -1.579  12.699
   57   2H5*    G   6          2H5*        G   6   1.852  -1.681  12.932
   58    H4*    G   6           H4*        G   6   2.770  -2.610  10.281
   59    H3*    G   6           H3*        G   6   4.157  -0.380  11.111
   60    H2*    G   6           H2*        G   6   2.205   0.915  11.641
   61   2HO*    G   6          2HO*        G   6   2.407   2.508  10.233
   62    H1*    G   6           H1*        G   6   0.943  -0.041   9.085
   63    H8     G   6           H8         G   6  -0.040   0.077  12.823
   64    H1     G   6           H1         G   6  -3.567   3.832   9.074
   65   1H2     G   6          1H2         G   6  -1.504   2.695   6.506
   66   2H2     G   6          2H2         G   6  -2.850   3.707   6.979
   67   1H5*    C   7          1H5*        C   7   5.713  -0.574   5.324
   68   2H5*    C   7          2H5*        C   7   6.019   0.367   6.799
   69    H4*    C   7           H4*        C   7   3.249  -0.063   5.625
   70    H3*    C   7           H3*        C   7   5.173   1.422   4.353
   71    H2*    C   7           H2*        C   7   5.599   2.906   6.131
   72   2HO*    C   7          2HO*        C   7   3.292   4.287   5.274
   73    H1*    C   7           H1*        C   7   2.714   3.076   6.979
   74   1H4     C   7          1H4         C   7   6.560   5.950  11.307
   75   2H4     C   7          2H4         C   7   7.027   4.362  11.874
   76    H5     C   7           H5         C   7   6.324   2.320  10.806
   77    H6     C   7           H6         C   7   4.953   1.364   9.000
   78   1H5*    U   8          1H5*        U   8   1.568  -0.193   0.478
   79   2H5*    U   8          2H5*        U   8   2.430   1.318   0.124
   80    H4*    U   8           H4*        U   8  -0.158   1.114  -0.376
   81    H3*    U   8           H3*        U   8   1.339   3.448   0.862
   82    H2*    U   8           H2*        U   8  -0.700   4.656   1.012
   83   2HO*    U   8          2HO*        U   8  -1.395   3.002  -1.073
   84    H1*    U   8           H1*        U   8  -2.266   2.588   1.889
   85    H3     U   8           H3         U   8  -1.338   5.911   5.035
   86    H5     U   8           H5         U   8   1.437   2.805   5.641
   87    H6     U   8           H6         U   8   0.708   1.819   3.564
   88   1H5*    U   9          1H5*        U   9  -0.873   5.343  -1.862
   89   2H5*    U   9          2H5*        U   9   0.022   6.534  -2.828
   90    H4*    U   9           H4*        U   9  -1.734   7.667  -1.572
   91    H3*    U   9           H3*        U   9   1.138   8.157  -0.764
   92    H2*    U   9           H2*        U   9   0.460   9.555   0.991
   93   2HO*    U   9          2HO*        U   9  -2.244   9.661   0.218
   94    H1*    U   9           H1*        U   9  -1.861   8.212   1.735
   95    H3     U   9           H3         U   9   1.066   8.174   5.249
   96    H5     U   9           H5         U   9   2.370   5.111   2.671
   97    H6     U   9           H6         U   9   0.803   5.951   1.007
   98   1H5*    C  10          1H5*        C  10   3.223  11.651  -0.727
   99   2H5*    C  10          2H5*        C  10   2.260  10.251  -0.215
  100    H4*    C  10           H4*        C  10   0.750  12.675   0.250
  101    H3*    C  10           H3*        C  10   3.650  12.698   1.111
  102    H2*    C  10           H2*        C  10   3.091  13.324   3.281
  103   2HO*    C  10          2HO*        C  10   1.898  15.084   3.218
  104    H1*    C  10           H1*        C  10   0.488  12.206   3.403
  105   1H4     C  10          1H4         C  10   4.710   7.983   6.229
  106   2H4     C  10          2H4         C  10   4.061   8.945   7.538
  107    H5     C  10           H5         C  10   4.208   8.398   3.917
  108    H6     C  10           H6         C  10   3.076   9.896   2.341
  109   1H5*    A  11          1H5*        A  11   6.112  15.566   2.004
  110   2H5*    A  11          2H5*        A  11   4.871  14.312   2.202
  111    H4*    A  11           H4*        A  11   4.102  16.875   3.426
  112    H3*    A  11           H3*        A  11   6.714  15.533   4.197
  113    H2*    A  11           H2*        A  11   6.233  15.915   6.469
  114   2HO*    A  11          2HO*        A  11   4.028  17.104   6.805
  115    H1*    A  11           H1*        A  11   3.611  15.143   6.380
  116    H8     A  11           H8         A  11   4.879  12.618   4.143
  117   1H6     A  11          1H6         A  11   7.506   9.747   8.926
  118   2H6     A  11          2H6         A  11   7.122   9.595   7.236
  119    H2     A  11           H2         A  11   6.416  13.863  10.230
  120   1H5*    A  12          1H5*        A  12   6.810  19.589   6.154
  121   2H5*    A  12          2H5*        A  12   8.441  20.247   5.914
  122    H4*    A  12           H4*        A  12   7.760  20.219   8.316
  123    H3*    A  12           H3*        A  12  10.117  18.579   7.335
  124    H2*    A  12           H2*        A  12  10.502  17.796   9.554
  125   2HO*    A  12          2HO*        A  12   9.148  18.751  11.300
  126    H1*    A  12           H1*        A  12   7.920  17.307  10.218
  127    H8     A  12           H8         A  12   8.020  16.274   6.688
  128   1H6     A  12          1H6         A  12  10.229  12.009   7.017
  129   2H6     A  12          2H6         A  12  11.107  11.209   8.301
  130    H2     A  12           H2         A  12  11.081  13.997  11.826
  131   1H5*    C  13          1H5*        C  13  11.975  21.205  10.480
  132   2H5*    C  13          2H5*        C  13  13.619  21.562   9.913
  133    H4*    C  13           H4*        C  13  13.577  20.358  12.104
  134    H3*    C  13           H3*        C  13  14.902  19.159   9.658
  135    H2*    C  13           H2*        C  13  15.482  17.200  10.909
  136   2HO*    C  13          2HO*        C  13  15.303  18.999  13.023
  137    H1*    C  13           H1*        C  13  13.149  16.913  12.282
  138   1H4     C  13          1H4         C  13  12.886  13.341   6.969
  139   2H4     C  13          2H4         C  13  12.197  14.698   6.108
  140    H5     C  13           H5         C  13  11.953  16.890   7.075
  141    H6     C  13           H6         C  13  12.310  18.252   9.074
  142   1H5*    A  14          1H5*        A  14  18.598  19.331  12.074
  143   2H5*    A  14          2H5*        A  14  19.858  19.190  10.832
  144    H4*    A  14           H4*        A  14  18.980  17.093  12.336
  145    H3*    A  14           H3*        A  14  19.976  17.152   9.443
  146    H2*    A  14           H2*        A  14  19.626  14.822   9.350
  147   2HO*    A  14          2HO*        A  14  20.087  13.567  11.008
  148    H1*    A  14           H1*        A  14  17.494  14.738  11.207
  149    H8     A  14           H8         A  14  15.744  16.638   8.939
  150   1H6     A  14          1H6         A  14  16.206  12.514   4.400
  151   2H6     A  14          2H6         A  14  15.359  13.935   4.967
  152    H2     A  14           H2         A  14  19.256  11.480   7.534
  153   1H5*    G  15          1H5*        G  15  23.739  15.305  10.062
  154   2H5*    G  15          2H5*        G  15  23.983  15.491   8.314
  155    H4*    G  15           H4*        G  15  21.700  14.219   9.789
  156    H3*    G  15           H3*        G  15  23.711  13.099   8.381
  157    H2*    G  15           H2*        G  15  23.433  14.107   6.289
  158   2HO*    G  15          2HO*        G  15  22.849  12.386   5.226
  159    H1*    G  15           H1*        G  15  20.490  14.248   6.241
  160    H8     G  15           H8         G  15  22.899  15.008   4.299
  161    H1     G  15           H1         G  15  21.217  20.805   6.338
  162   1H2     G  15          1H2         G  15  19.992  20.631   8.179
  163   2H2     G  15          2H2         G  15  19.584  19.088   8.893
  164   1H5*    U  16          1H5*        U  16  21.957   8.582   6.357
  165   2H5*    U  16          2H5*        U  16  21.568  10.210   5.763
  166    H4*    U  16           H4*        U  16  19.418   8.283   6.688
  167    H3*    U  16           H3*        U  16  21.014   7.626   4.547
  168    H2*    U  16           H2*        U  16  20.677   9.632   3.298
  169   2HO*    U  16          2HO*        U  16  18.371   8.084   2.611
  170    H1*    U  16           H1*        U  16  17.741   9.657   4.000
  171    H3     U  16           H3         U  16  17.209  13.584   1.920
  172    H5     U  16           H5         U  16  21.026  13.980   3.659
  173    H6     U  16           H6         U  16  20.811  11.715   4.494
  174   1H5*    G  17          1H5*        G  17  20.962   6.543   7.215
  175   2H5*    G  17          2H5*        G  17  20.498   4.988   7.931
  176    H4*    G  17           H4*        G  17  20.715   6.743   9.672
  177    H3*    G  17           H3*        G  17  18.652   4.947   9.415
  178    H2*    G  17           H2*        G  17  16.796   6.341   9.045
  179   2HO*    G  17          2HO*        G  17  17.545   7.281  11.625
  180    H1*    G  17           H1*        G  17  17.988   8.820  10.176
  181    H8     G  17           H8         G  17  17.264   7.360   6.649
  182    H1     G  17           H1         G  17  14.065  12.676   8.112
  183   1H2     G  17          1H2         G  17  15.742  12.480  11.160
  184   2H2     G  17          2H2         G  17  14.596  13.341  10.158
  185   1H5*    C  18          1H5*        C  18  17.046   2.550  12.090
  186   2H5*    C  18          2H5*        C  18  17.004   2.222  10.346
  187    H4*    C  18           H4*        C  18  16.392   4.944  11.549
  188    H3*    C  18           H3*        C  18  14.737   2.874  12.041
  189    H2*    C  18           H2*        C  18  14.582   2.000   9.829
  190   2HO*    C  18          2HO*        C  18  12.627   4.077   9.687
  191    H1*    C  18           H1*        C  18  14.304   4.674   8.516
  192   1H4     C  18          1H4         C  18  17.695   0.844   4.359
  193   2H4     C  18          2H4         C  18  16.054   0.290   4.107
  194    H5     C  18           H5         C  18  18.314   2.386   6.101
  195    H6     C  18           H6         C  18  17.499   3.740   7.973
  196   1H5*    U  19          1H5*        U  19  15.332   5.884  12.750
  197   2H5*    U  19          2H5*        U  19  15.889   5.485  14.384
  198    H4*    U  19           H4*        U  19  15.626   7.626  15.053
  199    H3*    U  19           H3*        U  19  12.834   7.250  13.929
  200    H2*    U  19           H2*        U  19  12.518   9.570  13.778
  201   2HO*    U  19          2HO*        U  19  13.081  10.482  15.630
  202    H1*    U  19           H1*        U  19  15.124  10.308  13.126
  203    H3     U  19           H3         U  19  11.790  11.241   9.951
  204    H5     U  19           H5         U  19  13.819   7.739   8.781
  205    H6     U  19           H6         U  19  14.803   7.648  10.996
  206   1H5*    U  20          1H5*        U  20   9.038   7.934  17.131
  207   2H5*    U  20          2H5*        U  20   9.707   7.368  15.587
  208    H4*    U  20           H4*        U  20   9.968  10.256  16.483
  209    H3*    U  20           H3*        U  20   7.632   8.831  15.188
  210    H2*    U  20           H2*        U  20   7.418  10.469  13.580
  211   2HO*    U  20          2HO*        U  20   8.117  12.668  14.011
  212    H1*    U  20           H1*        U  20  10.102  11.528  13.726
  213    H3     U  20           H3         U  20   8.595  11.135   9.372
  214    H5     U  20           H5         U  20  10.224   7.390  10.437
  215    H6     U  20           H6         U  20  10.326   8.167  12.734
  216   1H5*    G  21          1H5*        G  21   4.914  12.720  17.563
  217   2H5*    G  21          2H5*        G  21   3.552  11.617  17.287
  218    H4*    G  21           H4*        G  21   3.548  14.126  16.352
  219    H3*    G  21           H3*        G  21   2.452  11.579  15.129
  220    H2*    G  21           H2*        G  21   1.791  12.790  13.182
  221   2HO*    G  21          2HO*        G  21   1.124  14.662  14.690
  222    H1*    G  21           H1*        G  21   4.037  14.311  12.926
  223    H8     G  21           H8         G  21   5.183  10.927  14.032
  224    H1     G  21           H1         G  21   3.368  10.957   7.922
  225   1H2     G  21          1H2         G  21   2.125  14.138   8.620
  226   2H2     G  21          2H2         G  21   2.362  12.874   7.435
  227   1H5*    G  22          1H5*        G  22  -1.944  11.347  14.013
  228   2H5*    G  22          2H5*        G  22  -0.196  11.475  13.732
  229    H4*    G  22           H4*        G  22  -1.678  13.966  13.146
  230    H3*    G  22           H3*        G  22  -2.345  11.349  11.764
  231    H2*    G  22           H2*        G  22  -2.424  12.470   9.686
  232   2HO*    G  22          2HO*        G  22  -2.890  14.547   9.530
  233    H1*    G  22           H1*        G  22  -0.099  13.898  10.031
  234    H8     G  22           H8         G  22   1.215  10.991  11.558
  235    H1     G  22           H1         G  22  -0.629   9.433   5.656
  236   1H2     G  22          1H2         G  22  -2.399  12.434   5.744
  237   2H2     G  22          2H2         G  22  -1.963  11.004   4.836
  238   1H5*    A  23          1H5*        A  23  -6.334  13.236  10.903
  239   2H5*    A  23          2H5*        A  23  -7.437  11.846  10.851
  240    H4*    A  23           H4*        A  23  -6.788  13.007   8.609
  241    H3*    A  23           H3*        A  23  -6.795  10.029   9.184
  242    H2*    A  23           H2*        A  23  -6.061   9.589   6.977
  243   2HO*    A  23          2HO*        A  23  -7.145  10.803   5.584
  244    H1*    A  23           H1*        A  23  -4.247  11.640   6.768
  245    H8     A  23           H8         A  23  -3.323  10.602  10.077
  246   1H6     A  23          1H6         A  23  -1.149   6.370   9.279
  247   2H6     A  23          2H6         A  23  -1.073   5.307   7.891
  248    H2     A  23           H2         A  23  -3.574   7.201   4.667
  249   1H5*    C  24          1H5*        C  24  -9.188   9.578   5.793
  250   2H5*    C  24          2H5*        C  24 -10.475   8.446   6.254
  251    H4*    C  24           H4*        C  24  -8.941   7.484   4.549
  252    H3*    C  24           H3*        C  24  -9.127   6.241   7.313
  253    H2*    C  24           H2*        C  24  -7.527   4.606   6.699
  254   2HO*    C  24          2HO*        C  24  -8.543   4.156   4.637
  255    H1*    C  24           H1*        C  24  -5.870   6.209   5.202
  256   1H4     C  24          1H4         C  24  -4.264   6.977  11.578
  257   2H4     C  24          2H4         C  24  -3.372   5.568  11.052
  258    H5     C  24           H5         C  24  -5.876   8.110  10.194
  259    H6     C  24           H6         C  24  -7.018   8.110   8.029
  260   1H5*    G  25          1H5*        G  25 -12.590   2.659   7.252
  261   2H5*    G  25          2H5*        G  25 -11.185   3.640   7.718
  262    H4*    G  25           H4*        G  25 -11.168   1.990   5.176
  263    H3*    G  25           H3*        G  25 -10.668   1.091   8.042
  264    H2*    G  25           H2*        G  25  -8.904  -0.291   7.247
  265   2HO*    G  25          2HO*        G  25  -8.895  -1.046   5.256
  266    H1*    G  25           H1*        G  25  -7.740   1.599   5.683
  267    H8     G  25           H8         G  25  -8.895   3.767   8.364
  268    H1     G  25           H1         G  25  -4.629  -0.339  10.720
  269   1H2     G  25          1H2         G  25  -5.004  -2.010   7.684
  270   2H2     G  25          2H2         G  25  -4.220  -1.945   9.246
  271   1H5*    C  26          1H5*        C  26 -10.370  -2.324   6.433
  272   2H5*    C  26          2H5*        C  26 -11.486  -3.573   7.021
  273    H4*    C  26           H4*        C  26  -9.249  -4.382   7.398
  274    H3*    C  26           H3*        C  26 -10.729  -3.398   9.854
  275    H2*    C  26           H2*        C  26  -8.866  -3.909  11.218
  276   2HO*    C  26          2HO*        C  26  -7.419  -5.421  10.702
  277    H1*    C  26           H1*        C  26  -6.913  -2.957   9.540
  278   1H4     C  26          1H4         C  26  -9.639   2.334  12.419
  279   2H4     C  26          2H4         C  26  -8.431   1.774  13.555
  280    H5     C  26           H5         C  26 -10.227   1.131  10.418
  281    H6     C  26           H6         C  26  -9.782  -0.863   9.069
  282   1H5*    U  27          1H5*        U  27 -13.411  -5.654  12.121
  283   2H5*    U  27          2H5*        U  27 -12.947  -3.998  12.559
  284    H4*    U  27           H4*        U  27 -11.140  -6.438  12.384
  285    H3*    U  27           H3*        U  27 -12.269  -4.731  14.615
  286    H2*    U  27           H2*        U  27 -10.226  -4.854  15.802
  287   2HO*    U  27          2HO*        U  27  -8.920  -6.592  14.063
  288    H1*    U  27           H1*        U  27  -8.513  -4.574  13.697
  289    H3     U  27           H3         U  27  -8.799  -0.940  16.638
  290    H5     U  27           H5         U  27 -11.308  -0.113  13.357
  291    H6     U  27           H6         U  27 -11.015  -2.409  12.635
  292   1H5*    C  28          1H5*        C  28  -9.902  -7.312  16.748
  293   2H5*    C  28          2H5*        C  28 -11.000  -8.352  17.678
  294    H4*    C  28           H4*        C  28  -9.325  -7.501  19.197
  295    H3*    C  28           H3*        C  28 -12.104  -6.327  19.429
  296    H2*    C  28           H2*        C  28 -11.410  -4.844  21.117
  297   2HO*    C  28          2HO*        C  28  -9.144  -5.241  22.010
  298    H1*    C  28           H1*        C  28  -8.857  -4.297  20.189
  299   1H4     C  28          1H4         C  28 -12.994  -0.158  17.118
  300   2H4     C  28          2H4         C  28 -12.480   0.684  18.562
  301    H5     C  28           H5         C  28 -12.427  -2.451  16.655
  302    H6     C  28           H6         C  28 -11.224  -4.425  17.462
  303   1H5*    C  29          1H5*        C  29 -13.819  -7.355  24.216
  304   2H5*    C  29          2H5*        C  29 -14.201  -6.294  22.846
  305    H4*    C  29           H4*        C  29 -12.416  -5.666  25.228
  306    H3*    C  29           H3*        C  29 -15.106  -4.735  24.203
  307    H2*    C  29           H2*        C  29 -14.697  -2.569  24.924
  308   2HO*    C  29          2HO*        C  29 -14.017  -3.173  27.049
  309    H1*    C  29           H1*        C  29 -11.929  -2.542  24.472
  310   1H4     C  29          1H4         C  29 -15.012  -0.446  18.996
  311   2H4     C  29          2H4         C  29 -14.677   1.001  19.920
  312    H5     C  29           H5         C  29 -14.578  -2.665  19.814
  313    H6     C  29           H6         C  29 -13.734  -3.985  21.697
  314    H3T    C  29           H3T        C  29 -15.649  -5.435  26.122
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -14.187   9.267  22.238
    2   2H5*    G   1          2H5*        G   1 -14.926  10.550  23.216
    3    H4*    G   1           H4*        G   1 -13.462   9.963  25.115
    4    H3*    G   1           H3*        G   1 -12.280   8.033  23.085
    5    H2*    G   1           H2*        G   1 -11.958   6.436  24.834
    6   2HO*    G   1          2HO*        G   1 -11.321   8.295  26.336
    7    H1*    G   1           H1*        G   1 -14.375   6.747  26.036
    8    H8     G   1           H8         G   1 -15.428   7.051  22.565
    9    H1     G   1           H1         G   1 -13.214   1.174  23.636
   10   1H2     G   1          1H2         G   1 -11.933   2.523  26.585
   11   2H2     G   1          2H2         G   1 -12.117   1.114  25.565
   12    H5T    G   1           H5T        G   1 -13.342  11.788  22.693
   13   1H5*    G   2          1H5*        G   2  -9.226   8.134  26.144
   14   2H5*    G   2          2H5*        G   2  -7.643   7.926  25.370
   15    H4*    G   2           H4*        G   2  -8.407   6.066  26.966
   16    H3*    G   2           H3*        G   2  -7.404   5.655  24.141
   17    H2*    G   2           H2*        G   2  -7.796   3.312  24.309
   18   2HO*    G   2          2HO*        G   2  -8.197   3.636  27.117
   19    H1*    G   2           H1*        G   2 -10.119   3.368  25.728
   20    H8     G   2           H8         G   2 -10.891   5.935  23.295
   21    H1     G   2           H1         G   2 -10.189   0.329  20.344
   22   1H2     G   2          1H2         G   2  -8.695  -0.705  23.319
   23   2H2     G   2          2H2         G   2  -9.186  -1.120  21.694
   24   1H5*    A   3          1H5*        A   3  -4.566   3.977  22.717
   25   2H5*    A   3          2H5*        A   3  -6.217   3.640  23.269
   26    H4*    A   3           H4*        A   3  -4.506   1.449  24.046
   27    H3*    A   3           H3*        A   3  -4.159   2.512  21.238
   28    H2*    A   3           H2*        A   3  -4.294   0.345  20.337
   29   2HO*    A   3          2HO*        A   3  -2.998  -0.456  22.306
   30    H1*    A   3           H1*        A   3  -6.378  -0.574  21.892
   31    H8     A   3           H8         A   3  -7.049   3.040  21.092
   32   1H6     A   3          1H6         A   3  -9.211   2.535  16.809
   33   2H6     A   3          2H6         A   3  -9.405   1.182  15.719
   34    H2     A   3           H2         A   3  -7.366  -2.336  17.628
   35   1H5*    G   4          1H5*        G   4  -0.246   0.149  19.019
   36   2H5*    G   4          2H5*        G   4  -1.731   1.087  18.755
   37    H4*    G   4           H4*        G   4  -1.631  -1.936  19.127
   38    H3*    G   4           H3*        G   4  -1.645  -0.154  16.670
   39    H2*    G   4           H2*        G   4  -3.068  -1.665  15.567
   40   2HO*    G   4          2HO*        G   4  -3.433  -3.591  17.451
   41    H1*    G   4           H1*        G   4  -4.793  -2.085  17.679
   42    H8     G   4           H8         G   4  -4.111   1.462  18.135
   43    H1     G   4           H1         G   4  -7.540   0.506  12.848
   44   1H2     G   4          1H2         G   4  -6.621  -2.835  13.230
   45   2H2     G   4          2H2         G   4  -7.498  -1.644  12.296
   46   1H5*    U   5          1H5*        U   5  -0.914  -3.606  15.010
   47   2H5*    U   5          2H5*        U   5   0.399  -3.690  13.820
   48    H4*    U   5           H4*        U   5  -1.746  -4.195  12.737
   49    H3*    U   5           H3*        U   5  -0.445  -1.537  12.040
   50    H2*    U   5           H2*        U   5  -2.190  -1.106  10.519
   51   2HO*    U   5          2HO*        U   5  -3.712  -2.933  10.039
   52    H1*    U   5           H1*        U   5  -4.248  -2.290  12.023
   53    H3     U   5           H3         U   5  -5.357   2.092  11.534
   54    H5     U   5           H5         U   5  -2.414   2.049  14.552
   55    H6     U   5           H6         U   5  -1.967  -0.267  13.993
   56   1H5*    G   6          1H5*        G   6   2.991  -0.952  11.825
   57   2H5*    G   6          2H5*        G   6   1.248  -0.658  11.924
   58    H4*    G   6           H4*        G   6   2.215  -2.314   9.623
   59    H3*    G   6           H3*        G   6   3.695  -0.060  10.023
   60    H2*    G   6           H2*        G   6   1.800   1.416  10.281
   61   2HO*    G   6          2HO*        G   6   2.410   2.715   8.722
   62    H1*    G   6           H1*        G   6   0.527   0.164   7.866
   63    H8     G   6           H8         G   6  -0.413   0.926  11.553
   64    H1     G   6           H1         G   6  -4.079   3.850   7.246
   65   1H2     G   6          1H2         G   6  -2.038   2.304   4.885
   66   2H2     G   6          2H2         G   6  -3.399   3.358   5.196
   67   1H5*    C   7          1H5*        C   7   1.494  -2.070   7.416
   68   2H5*    C   7          2H5*        C   7   1.377  -3.797   7.031
   69    H4*    C   7           H4*        C   7   2.862  -3.078   4.929
   70    H3*    C   7           H3*        C   7   2.684  -0.575   6.003
   71    H2*    C   7           H2*        C   7   0.315  -0.499   5.985
   72   2HO*    C   7          2HO*        C   7   0.898   0.431   3.351
   73    H1*    C   7           H1*        C   7   0.507  -1.639   3.164
   74   1H4     C   7          1H4         C   7  -5.802  -2.606   3.504
   75   2H4     C   7          2H4         C   7  -5.885  -1.130   4.440
   76    H5     C   7           H5         C   7  -3.937   0.014   5.273
   77    H6     C   7           H6         C   7  -1.498  -0.011   5.403
   78   1H5*    U   8          1H5*        U   8   2.795  -0.495   1.437
   79   2H5*    U   8          2H5*        U   8   3.679   0.789   0.588
   80    H4*    U   8           H4*        U   8   1.215   0.402  -0.081
   81    H3*    U   8           H3*        U   8   2.445   3.074   0.655
   82    H2*    U   8           H2*        U   8   0.359   4.145   0.282
   83   2HO*    U   8          2HO*        U   8  -1.076   1.921  -0.534
   84    H1*    U   8           H1*        U   8  -1.221   2.290   1.517
   85    H3     U   8           H3         U   8  -0.847   6.199   3.963
   86    H5     U   8           H5         U   8   2.274   3.675   5.269
   87    H6     U   8           H6         U   8   1.757   2.194   3.422
   88   1H5*    U   9          1H5*        U   9   0.482   4.205  -2.554
   89   2H5*    U   9          2H5*        U   9   1.408   5.293  -3.608
   90    H4*    U   9           H4*        U   9  -0.494   6.487  -2.626
   91    H3*    U   9           H3*        U   9   2.310   7.252  -1.800
   92    H2*    U   9           H2*        U   9   1.495   8.850  -0.284
   93   2HO*    U   9          2HO*        U   9  -1.128   8.605  -1.380
   94    H1*    U   9           H1*        U   9  -0.729   7.485   0.632
   95    H3     U   9           H3         U   9   2.191   7.967   4.112
   96    H5     U   9           H5         U   9   3.654   4.715   1.871
   97    H6     U   9           H6         U   9   2.045   5.290   0.136
   98   1H5*    C  10          1H5*        C  10   2.634  12.374  -3.091
   99   2H5*    C  10          2H5*        C  10   3.425  11.254  -1.964
  100    H4*    C  10           H4*        C  10   1.064  13.085  -1.382
  101    H3*    C  10           H3*        C  10   4.003  13.053  -0.665
  102    H2*    C  10           H2*        C  10   3.558  13.630   1.546
  103   2HO*    C  10          2HO*        C  10   2.417  15.523   1.098
  104    H1*    C  10           H1*        C  10   0.927  12.585   1.755
  105   1H4     C  10          1H4         C  10   5.182   8.255   4.371
  106   2H4     C  10          2H4         C  10   4.588   9.197   5.719
  107    H5     C  10           H5         C  10   4.590   8.701   2.092
  108    H6     C  10           H6         C  10   3.449  10.254   0.578
  109   1H5*    A  11          1H5*        A  11   6.038  16.585   0.791
  110   2H5*    A  11          2H5*        A  11   5.302  15.025   1.212
  111    H4*    A  11           H4*        A  11   4.293  17.546   2.529
  112    H3*    A  11           H3*        A  11   6.890  16.074   3.105
  113    H2*    A  11           H2*        A  11   6.537  16.426   5.414
  114   2HO*    A  11          2HO*        A  11   4.774  18.396   4.487
  115    H1*    A  11           H1*        A  11   3.909  15.671   5.418
  116    H8     A  11           H8         A  11   5.094  13.287   2.961
  117   1H6     A  11          1H6         A  11   7.518  10.132   5.692
  118   2H6     A  11          2H6         A  11   8.091  10.175   7.344
  119    H2     A  11           H2         A  11   6.914  14.161   9.034
  120   1H5*    A  12          1H5*        A  12   7.292  19.909   5.267
  121   2H5*    A  12          2H5*        A  12   8.947  20.507   5.027
  122    H4*    A  12           H4*        A  12   8.332  20.250   7.442
  123    H3*    A  12           H3*        A  12  10.586  18.603   6.239
  124    H2*    A  12           H2*        A  12  11.013  17.692   8.384
  125   2HO*    A  12          2HO*        A  12   9.950  20.101   9.200
  126    H1*    A  12           H1*        A  12   8.375  17.470   9.203
  127    H8     A  12           H8         A  12   8.423  16.129   5.766
  128   1H6     A  12          1H6         A  12  10.243  11.727   6.545
  129   2H6     A  12          2H6         A  12  11.025  10.983   7.922
  130    H2     A  12           H2         A  12  11.198  14.089  11.161
  131   1H5*    C  13          1H5*        C  13  12.200  21.260   9.898
  132   2H5*    C  13          2H5*        C  13  13.844  21.622   9.337
  133    H4*    C  13           H4*        C  13  13.770  20.725  11.673
  134    H3*    C  13           H3*        C  13  15.277  19.316   9.467
  135    H2*    C  13           H2*        C  13  15.885  17.551  10.968
  136   2HO*    C  13          2HO*        C  13  15.598  17.829  13.256
  137    H1*    C  13           H1*        C  13  13.522  17.340  12.327
  138   1H4     C  13          1H4         C  13  13.411  12.978   7.654
  139   2H4     C  13          2H4         C  13  12.816  14.190   6.542
  140    H5     C  13           H5         C  13  12.600  16.517   7.118
  141    H6     C  13           H6         C  13  12.891  18.183   8.880
  142   1H5*    A  14          1H5*        A  14  20.015  18.781  11.738
  143   2H5*    A  14          2H5*        A  14  19.618  18.677  10.011
  144    H4*    A  14           H4*        A  14  19.393  16.572  12.156
  145    H3*    A  14           H3*        A  14  20.262  16.718   9.223
  146    H2*    A  14           H2*        A  14  19.797  14.423   9.031
  147   2HO*    A  14          2HO*        A  14  19.987  13.017  10.713
  148    H1*    A  14           H1*        A  14  17.752  14.342  11.001
  149    H8     A  14           H8         A  14  16.064  16.506   8.868
  150   1H6     A  14          1H6         A  14  15.906  12.433   4.251
  151   2H6     A  14          2H6         A  14  15.240  13.927   4.870
  152    H2     A  14           H2         A  14  18.950  11.026   7.243
  153   1H5*    G  15          1H5*        G  15  23.874  15.485   7.408
  154   2H5*    G  15          2H5*        G  15  22.631  16.287   6.426
  155    H4*    G  15           H4*        G  15  22.168  13.736   8.010
  156    H3*    G  15           H3*        G  15  23.756  13.760   5.819
  157    H2*    G  15           H2*        G  15  22.345  14.863   4.300
  158   2HO*    G  15          2HO*        G  15  21.451  13.331   2.976
  159    H1*    G  15           H1*        G  15  19.823  13.559   5.183
  160    H8     G  15           H8         G  15  20.716  15.433   2.780
  161    H1     G  15           H1         G  15  17.696  19.664   6.461
  162   1H2     G  15          1H2         G  15  17.491  18.854   8.516
  163   2H2     G  15          2H2         G  15  18.090  17.274   8.967
  164   1H5*    U  16          1H5*        U  16  21.499  10.791   7.438
  165   2H5*    U  16          2H5*        U  16  22.338   9.965   8.765
  166    H4*    U  16           H4*        U  16  21.153   8.104   8.387
  167    H3*    U  16           H3*        U  16  22.947   7.950   6.283
  168    H2*    U  16           H2*        U  16  21.573   8.953   4.630
  169   2HO*    U  16          2HO*        U  16  20.459   6.326   4.652
  170    H1*    U  16           H1*        U  16  19.117   7.582   5.724
  171    H3     U  16           H3         U  16  16.236   9.962   3.269
  172    H5     U  16           H5         U  16  19.663  12.412   3.277
  173    H6     U  16           H6         U  16  20.740  10.793   4.725
  174   1H5*    G  17          1H5*        G  17  20.599   4.874   9.903
  175   2H5*    G  17          2H5*        G  17  20.018   6.147   8.809
  176    H4*    G  17           H4*        G  17  21.188   6.908  11.489
  177    H3*    G  17           H3*        G  17  19.129   5.093  11.377
  178    H2*    G  17           H2*        G  17  17.289   6.429  10.761
  179   2HO*    G  17          2HO*        G  17  17.919   7.762  13.192
  180    H1*    G  17           H1*        G  17  18.428   9.030  11.597
  181    H8     G  17           H8         G  17  17.898   7.091   8.273
  182    H1     G  17           H1         G  17  14.642  12.546   8.785
  183   1H2     G  17          1H2         G  17  16.174  12.821  11.900
  184   2H2     G  17          2H2         G  17  15.081  13.516  10.724
  185   1H5*    C  18          1H5*        C  18  16.633   3.348  13.899
  186   2H5*    C  18          2H5*        C  18  17.558   3.989  12.526
  187    H4*    C  18           H4*        C  18  16.047   6.174  13.366
  188    H3*    C  18           H3*        C  18  14.718   4.189  14.653
  189    H2*    C  18           H2*        C  18  14.366   2.729  12.807
  190   2HO*    C  18          2HO*        C  18  12.217   3.315  11.901
  191    H1*    C  18           H1*        C  18  13.681   4.928  10.891
  192   1H4     C  18          1H4         C  18  16.703   0.143   7.494
  193   2H4     C  18          2H4         C  18  15.019  -0.327   7.445
  194    H5     C  18           H5         C  18  17.524   1.976   8.825
  195    H6     C  18           H6         C  18  16.909   3.758  10.390
  196   1H5*    U  19          1H5*        U  19  15.072   7.295  14.500
  197   2H5*    U  19          2H5*        U  19  15.895   7.219  16.068
  198    H4*    U  19           H4*        U  19  15.459   9.412  16.536
  199    H3*    U  19           H3*        U  19  12.748   8.829  15.316
  200    H2*    U  19           H2*        U  19  12.434  11.106  14.788
  201   2HO*    U  19          2HO*        U  19  13.345  12.709  15.914
  202    H1*    U  19           H1*        U  19  15.007  11.701  14.019
  203    H3     U  19           H3         U  19  12.260  11.934  10.360
  204    H5     U  19           H5         U  19  13.228   7.853  10.760
  205    H6     U  19           H6         U  19  14.266   8.374  12.888
  206   1H5*    U  20          1H5*        U  20   9.206   9.830  16.111
  207   2H5*    U  20          2H5*        U  20  10.750   9.875  15.237
  208    H4*    U  20           H4*        U  20  10.005  12.557  16.038
  209    H3*    U  20           H3*        U  20   7.841  10.851  14.785
  210    H2*    U  20           H2*        U  20   7.323  12.550  13.232
  211   2HO*    U  20          2HO*        U  20   7.663  14.169  15.135
  212    H1*    U  20           H1*        U  20   9.871  13.414  12.696
  213    H3     U  20           H3         U  20   7.719  11.239   9.181
  214    H5     U  20           H5         U  20  10.080   8.370  11.155
  215    H6     U  20           H6         U  20  10.428   9.977  12.941
  216   1H5*    G  21          1H5*        G  21   4.132  10.566  15.192
  217   2H5*    G  21          2H5*        G  21   5.762  11.011  14.652
  218    H4*    G  21           H4*        G  21   4.095  13.381  14.887
  219    H3*    G  21           H3*        G  21   2.957  10.997  13.406
  220    H2*    G  21           H2*        G  21   2.348  12.381  11.580
  221   2HO*    G  21          2HO*        G  21   2.123  14.242  13.509
  222    H1*    G  21           H1*        G  21   4.623  13.892  11.478
  223    H8     G  21           H8         G  21   5.830  10.475  12.291
  224    H1     G  21           H1         G  21   3.841  10.853   6.249
  225   1H2     G  21          1H2         G  21   2.507  13.931   7.192
  226   2H2     G  21          2H2         G  21   2.749  12.755   5.919
  227   1H5*    G  22          1H5*        G  22  -2.145  12.657  12.905
  228   2H5*    G  22          2H5*        G  22  -1.242  11.469  11.944
  229    H4*    G  22           H4*        G  22  -1.780  14.387  11.303
  230    H3*    G  22           H3*        G  22  -2.402  11.693  10.054
  231    H2*    G  22           H2*        G  22  -2.390  12.698   7.924
  232   2HO*    G  22          2HO*        G  22  -1.896  15.300   8.878
  233    H1*    G  22           H1*        G  22  -0.099  14.193   8.311
  234    H8     G  22           H8         G  22   1.227  11.328   9.914
  235    H1     G  22           H1         G  22  -0.297   9.729   3.933
  236   1H2     G  22          1H2         G  22  -2.189  12.656   3.954
  237   2H2     G  22          2H2         G  22  -1.653  11.250   3.060
  238   1H5*    A  23          1H5*        A  23  -5.904  13.816   9.050
  239   2H5*    A  23          2H5*        A  23  -7.354  12.805   8.879
  240    H4*    A  23           H4*        A  23  -6.153  13.532   6.712
  241    H3*    A  23           H3*        A  23  -6.925  10.684   7.422
  242    H2*    A  23           H2*        A  23  -5.964   9.910   5.422
  243   2HO*    A  23          2HO*        A  23  -6.288  12.586   4.475
  244    H1*    A  23           H1*        A  23  -3.992  11.907   5.133
  245    H8     A  23           H8         A  23  -2.926  10.573   8.242
  246   1H6     A  23          1H6         A  23  -1.419   5.203   5.632
  247   2H6     A  23          2H6         A  23  -1.157   6.232   7.017
  248    H2     A  23           H2         A  23  -3.984   7.466   2.748
  249   1H5*    C  24          1H5*        C  24 -10.716   8.632   5.312
  250   2H5*    C  24          2H5*        C  24  -9.424   8.485   6.523
  251    H4*    C  24           H4*        C  24  -9.349   7.739   3.585
  252    H3*    C  24           H3*        C  24  -9.075   6.307   6.239
  253    H2*    C  24           H2*        C  24  -7.447   4.854   5.339
  254   2HO*    C  24          2HO*        C  24  -7.830   4.178   3.371
  255    H1*    C  24           H1*        C  24  -6.046   6.688   3.866
  256   1H4     C  24          1H4         C  24  -4.096   7.452  10.139
  257   2H4     C  24          2H4         C  24  -3.313   5.972   9.634
  258    H5     C  24           H5         C  24  -5.709   8.620   8.786
  259    H6     C  24           H6         C  24  -6.950   8.601   6.680
  260   1H5*    G  25          1H5*        G  25 -12.056   3.876   3.316
  261   2H5*    G  25          2H5*        G  25 -13.069   2.767   4.258
  262    H4*    G  25           H4*        G  25 -11.388   1.608   2.789
  263    H3*    G  25           H3*        G  25 -11.269   1.269   5.815
  264    H2*    G  25           H2*        G  25  -9.567  -0.360   5.489
  265   2HO*    G  25          2HO*        G  25  -8.963  -0.671   3.092
  266    H1*    G  25           H1*        G  25  -8.101   1.159   3.760
  267    H8     G  25           H8         G  25  -9.540   3.688   6.036
  268    H1     G  25           H1         G  25  -5.130   0.197   9.031
  269   1H2     G  25          1H2         G  25  -5.353  -1.910   6.267
  270   2H2     G  25          2H2         G  25  -4.612  -1.582   7.818
  271   1H5*    C  26          1H5*        C  26 -13.673  -0.679   8.353
  272   2H5*    C  26          2H5*        C  26 -12.703   0.505   7.455
  273    H4*    C  26           H4*        C  26 -11.799  -2.222   6.927
  274    H3*    C  26           H3*        C  26 -12.202  -1.367   9.802
  275    H2*    C  26           H2*        C  26 -10.023  -2.069  10.378
  276   2HO*    C  26          2HO*        C  26 -10.198  -4.113   9.281
  277    H1*    C  26           H1*        C  26  -8.691  -1.274   8.110
  278   1H4     C  26          1H4         C  26  -9.301   4.113  11.882
  279   2H4     C  26          2H4         C  26  -8.080   3.171  12.709
  280    H5     C  26           H5         C  26 -10.555   3.288  10.001
  281    H6     C  26           H6         C  26 -10.904   1.388   8.496
  282   1H5*    U  27          1H5*        U  27 -11.591  -5.491   9.785
  283   2H5*    U  27          2H5*        U  27 -12.677  -6.596  10.654
  284    H4*    U  27           H4*        U  27 -10.441  -6.847  11.558
  285    H3*    U  27           H3*        U  27 -12.478  -5.429  13.295
  286    H2*    U  27           H2*        U  27 -10.867  -5.075  14.974
  287   2HO*    U  27          2HO*        U  27  -9.380  -6.535  15.388
  288    H1*    U  27           H1*        U  27  -8.658  -4.640  13.347
  289    H3     U  27           H3         U  27  -9.409  -0.809  15.696
  290    H5     U  27           H5         U  27 -12.223  -0.724  12.563
  291    H6     U  27           H6         U  27 -11.596  -3.003  12.023
  292   1H5*    C  28          1H5*        C  28 -13.209  -7.089  17.519
  293   2H5*    C  28          2H5*        C  28 -12.684  -5.765  16.460
  294    H4*    C  28           H4*        C  28 -10.613  -7.259  18.053
  295    H3*    C  28           H3*        C  28 -12.702  -5.370  19.163
  296    H2*    C  28           H2*        C  28 -11.065  -4.207  20.401
  297   2HO*    C  28          2HO*        C  28  -9.172  -5.107  21.030
  298    H1*    C  28           H1*        C  28  -9.027  -4.258  18.552
  299   1H4     C  28          1H4         C  28 -12.971   0.767  16.865
  300   2H4     C  28          2H4         C  28 -12.034   1.390  18.204
  301    H5     C  28           H5         C  28 -12.896  -1.534  16.158
  302    H6     C  28           H6         C  28 -11.898  -3.730  16.571
  303   1H5*    C  29          1H5*        C  29 -10.711  -7.054  23.384
  304   2H5*    C  29          2H5*        C  29 -12.334  -7.281  24.070
  305    H4*    C  29           H4*        C  29 -10.770  -5.818  25.439
  306    H3*    C  29           H3*        C  29 -13.467  -4.907  24.417
  307    H2*    C  29           H2*        C  29 -13.199  -2.803  25.406
  308   2HO*    C  29          2HO*        C  29 -11.272  -2.517  26.864
  309    H1*    C  29           H1*        C  29 -10.506  -2.483  24.890
  310   1H4     C  29          1H4         C  29 -13.945  -0.683  19.518
  311   2H4     C  29          2H4         C  29 -13.632   0.792  20.405
  312    H5     C  29           H5         C  29 -13.349  -2.867  20.336
  313    H6     C  29           H6         C  29 -12.334  -4.112  22.186
  314    H3T    C  29           H3T        C  29 -12.352  -5.629  26.951
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1 -13.882  12.034  24.740
    2   2H5*    G   1          2H5*        G   1 -12.252  11.924  24.043
    3    H4*    G   1           H4*        G   1 -12.599  10.571  26.156
    4    H3*    G   1           H3*        G   1 -11.669   9.380  23.529
    5    H2*    G   1           H2*        G   1 -11.630   7.200  24.489
    6   2HO*    G   1          2HO*        G   1 -11.945   8.464  27.039
    7    H1*    G   1           H1*        G   1 -13.920   7.356  25.948
    8    H8     G   1           H8         G   1 -14.870   9.055  22.816
    9    H1     G   1           H1         G   1 -14.044   2.815  21.871
   10   1H2     G   1          1H2         G   1 -13.116   1.898  23.584
   11   2H2     G   1          2H2         G   1 -12.680   2.758  25.030
   12    H5T    G   1           H5T        G   1 -14.683  11.048  23.064
   13   1H5*    G   2          1H5*        G   2  -7.045   8.457  24.089
   14   2H5*    G   2          2H5*        G   2  -7.569   7.447  22.727
   15    H4*    G   2           H4*        G   2  -7.751   6.943  25.655
   16    H3*    G   2           H3*        G   2  -7.363   5.360  23.096
   17    H2*    G   2           H2*        G   2  -8.265   3.421  24.135
   18   2HO*    G   2          2HO*        G   2  -7.307   3.345  26.105
   19    H1*    G   2           H1*        G   2 -10.322   4.606  25.470
   20    H8     G   2           H8         G   2 -10.983   6.471  22.579
   21    H1     G   2           H1         G   2 -11.084   0.321  20.900
   22   1H2     G   2          1H2         G   2  -9.486  -0.217  23.954
   23   2H2     G   2          2H2         G   2 -10.144  -0.915  22.490
   24   1H5*    A   3          1H5*        A   3  -6.115   1.825  26.322
   25   2H5*    A   3          2H5*        A   3  -4.434   2.292  25.990
   26    H4*    A   3           H4*        A   3  -4.695  -0.126  25.704
   27    H3*    A   3           H3*        A   3  -4.200   1.585  23.256
   28    H2*    A   3           H2*        A   3  -4.269  -0.317  21.856
   29   2HO*    A   3          2HO*        A   3  -3.768  -1.682  24.273
   30    H1*    A   3           H1*        A   3  -6.393  -1.583  23.032
   31    H8     A   3           H8         A   3  -6.785   2.214  22.886
   32   1H6     A   3          1H6         A   3  -8.946   2.564  18.584
   33   2H6     A   3          2H6         A   3  -9.261   1.412  17.307
   34    H2     A   3           H2         A   3  -7.612  -2.537  18.680
   35   1H5*    G   4          1H5*        G   4  -0.484   0.546  20.788
   36   2H5*    G   4          2H5*        G   4  -1.791   1.371  19.912
   37    H4*    G   4           H4*        G   4  -1.747  -1.524  20.850
   38    H3*    G   4           H3*        G   4  -1.559  -0.115  18.171
   39    H2*    G   4           H2*        G   4  -2.810  -1.823  17.150
   40   2HO*    G   4          2HO*        G   4  -3.385  -3.750  18.464
   41    H1*    G   4           H1*        G   4  -4.714  -2.100  19.122
   42    H8     G   4           H8         G   4  -4.549   1.471  19.264
   43    H1     G   4           H1         G   4  -6.715  -0.312  13.540
   44   1H2     G   4          1H2         G   4  -5.488  -3.460  14.407
   45   2H2     G   4          2H2         G   4  -6.302  -2.471  13.215
   46   1H5*    U   5          1H5*        U   5  -0.407  -3.723  16.922
   47   2H5*    U   5          2H5*        U   5   1.061  -3.696  15.924
   48    H4*    U   5           H4*        U   5  -0.893  -4.478  14.625
   49    H3*    U   5           H3*        U   5   0.363  -1.808  13.913
   50    H2*    U   5           H2*        U   5  -1.163  -1.586  12.109
   51   2HO*    U   5          2HO*        U   5  -2.033  -3.282  11.112
   52    H1*    U   5           H1*        U   5  -3.388  -2.574  13.448
   53    H3     U   5           H3         U   5  -4.362   1.821  12.926
   54    H5     U   5           H5         U   5  -1.595   1.706  16.100
   55    H6     U   5           H6         U   5  -1.121  -0.595  15.516
   56   1H5*    G   6          1H5*        G   6   3.428  -0.869  12.546
   57   2H5*    G   6          2H5*        G   6   1.706  -1.287  12.602
   58    H4*    G   6           H4*        G   6   2.816  -1.920   9.996
   59    H3*    G   6           H3*        G   6   4.173   0.263  10.988
   60    H2*    G   6           H2*        G   6   2.195   1.540  11.482
   61   2HO*    G   6          2HO*        G   6   1.906   2.905   9.455
   62    H1*    G   6           H1*        G   6   1.086   0.690   8.815
   63    H8     G   6           H8         G   6  -0.068   0.867  12.517
   64    H1     G   6           H1         G   6  -3.534   4.361   8.465
   65   1H2     G   6          1H2         G   6  -1.352   3.143   6.034
   66   2H2     G   6          2H2         G   6  -2.736   4.148   6.406
   67   1H5*    C   7          1H5*        C   7   6.180   0.519   5.295
   68   2H5*    C   7          2H5*        C   7   6.214   1.535   6.750
   69    H4*    C   7           H4*        C   7   3.642   0.829   5.298
   70    H3*    C   7           H3*        C   7   5.597   2.330   4.100
   71    H2*    C   7           H2*        C   7   5.752   3.963   5.788
   72   2HO*    C   7          2HO*        C   7   4.176   5.727   5.112
   73    H1*    C   7           H1*        C   7   2.785   4.035   6.292
   74   1H4     C   7          1H4         C   7   5.975   7.469  10.749
   75   2H4     C   7          2H4         C   7   6.400   5.960  11.524
   76    H5     C   7           H5         C   7   5.889   3.801  10.581
   77    H6     C   7           H6         C   7   4.785   2.632   8.715
   78   1H5*    U   8          1H5*        U   8   2.454   0.201   0.029
   79   2H5*    U   8          2H5*        U   8   3.279   1.723  -0.363
   80    H4*    U   8           H4*        U   8   0.770   1.402  -1.059
   81    H3*    U   8           H3*        U   8   2.032   3.835   0.240
   82    H2*    U   8           H2*        U   8  -0.061   4.941   0.206
   83   2HO*    U   8          2HO*        U   8  -0.648   4.338  -1.940
   84    H1*    U   8           H1*        U   8  -1.612   2.809   0.956
   85    H3     U   8           H3         U   8  -1.176   6.211   4.126
   86    H5     U   8           H5         U   8   1.635   3.227   5.080
   87    H6     U   8           H6         U   8   1.192   2.198   2.949
   88   1H5*    U   9          1H5*        U   9  -0.333   5.787  -2.938
   89   2H5*    U   9          2H5*        U   9   0.813   6.973  -3.596
   90    H4*    U   9           H4*        U   9  -1.279   8.009  -2.672
   91    H3*    U   9           H3*        U   9   1.474   8.663  -1.616
   92    H2*    U   9           H2*        U   9   0.587  10.070   0.035
   93   2HO*    U   9          2HO*        U   9  -1.925  10.024  -1.329
   94    H1*    U   9           H1*        U   9  -1.722   8.657   0.631
   95    H3     U   9           H3         U   9   0.883   8.688   4.379
   96    H5     U   9           H5         U   9   2.514   5.689   1.916
   97    H6     U   9           H6         U   9   1.072   6.489   0.122
   98   1H5*    C  10          1H5*        C  10   3.512  12.092  -1.558
   99   2H5*    C  10          2H5*        C  10   2.519  10.700  -1.085
  100    H4*    C  10           H4*        C  10   1.002  13.143  -0.728
  101    H3*    C  10           H3*        C  10   3.846  13.135   0.299
  102    H2*    C  10           H2*        C  10   3.168  13.769   2.437
  103   2HO*    C  10          2HO*        C  10   2.032  15.631   1.680
  104    H1*    C  10           H1*        C  10   0.549  12.685   2.411
  105   1H4     C  10          1H4         C  10   4.564   8.412   5.459
  106   2H4     C  10          2H4         C  10   3.826   9.356   6.735
  107    H5     C  10           H5         C  10   4.233   8.866   3.126
  108    H6     C  10           H6         C  10   3.195  10.371   1.494
  109   1H5*    A  11          1H5*        A  11   6.065  16.055   1.742
  110   2H5*    A  11          2H5*        A  11   4.990  14.645   1.823
  111    H4*    A  11           H4*        A  11   4.101  17.018   3.386
  112    H3*    A  11           H3*        A  11   6.674  15.506   3.976
  113    H2*    A  11           H2*        A  11   6.174  15.665   6.281
  114   2HO*    A  11          2HO*        A  11   4.999  17.896   5.670
  115    H1*    A  11           H1*        A  11   3.574  14.877   6.050
  116    H8     A  11           H8         A  11   4.932  12.732   3.473
  117   1H6     A  11          1H6         A  11   7.281   9.391   6.047
  118   2H6     A  11          2H6         A  11   7.770   9.301   7.725
  119    H2     A  11           H2         A  11   6.434  13.110   9.686
  120   1H5*    A  12          1H5*        A  12   6.745  19.156   6.292
  121   2H5*    A  12          2H5*        A  12   8.307  20.000   6.219
  122    H4*    A  12           H4*        A  12   7.690  19.644   8.552
  123    H3*    A  12           H3*        A  12   9.984  17.981   7.458
  124    H2*    A  12           H2*        A  12  10.283  17.019   9.612
  125   2HO*    A  12          2HO*        A  12   9.021  17.877  11.427
  126    H1*    A  12           H1*        A  12   7.642  16.613  10.173
  127    H8     A  12           H8         A  12   8.000  15.845   6.551
  128   1H6     A  12          1H6         A  12   9.858  11.396   6.772
  129   2H6     A  12          2H6         A  12  10.519  10.440   8.081
  130    H2     A  12           H2         A  12  10.281  12.963  11.789
  131   1H5*    C  13          1H5*        C  13  11.258  20.087  11.171
  132   2H5*    C  13          2H5*        C  13  12.898  20.721  10.926
  133    H4*    C  13           H4*        C  13  12.824  19.459  13.011
  134    H3*    C  13           H3*        C  13  14.375  18.231  10.706
  135    H2*    C  13           H2*        C  13  14.928  16.359  12.097
  136   2HO*    C  13          2HO*        C  13  14.544  18.241  14.087
  137    H1*    C  13           H1*        C  13  12.494  16.017  13.242
  138   1H4     C  13          1H4         C  13  12.856  12.293   8.051
  139   2H4     C  13          2H4         C  13  12.394  13.644   7.040
  140    H5     C  13           H5         C  13  12.064  15.873   7.886
  141    H6     C  13           H6         C  13  12.154  17.300   9.871
  142   1H5*    A  14          1H5*        A  14  18.877  18.895  10.413
  143   2H5*    A  14          2H5*        A  14  17.193  18.452  10.075
  144    H4*    A  14           H4*        A  14  18.090  17.881  12.844
  145    H3*    A  14           H3*        A  14  19.464  16.683  10.417
  146    H2*    A  14           H2*        A  14  19.273  14.516  11.284
  147   2HO*    A  14          2HO*        A  14  18.789  15.735  13.827
  148    H1*    A  14           H1*        A  14  16.846  14.792  12.623
  149    H8     A  14           H8         A  14  15.306  15.766   9.761
  150   1H6     A  14          1H6         A  14  16.952  10.805   6.513
  151   2H6     A  14          2H6         A  14  15.886  12.191   6.574
  152    H2     A  14           H2         A  14  19.531  10.979  10.184
  153   1H5*    G  15          1H5*        G  15  21.624  14.114  12.158
  154   2H5*    G  15          2H5*        G  15  23.281  14.508  11.657
  155    H4*    G  15           H4*        G  15  21.183  12.921  10.186
  156    H3*    G  15           H3*        G  15  23.306  12.065  11.635
  157    H2*    G  15           H2*        G  15  25.078  13.114  10.536
  158   2HO*    G  15          2HO*        G  15  24.554  11.086   8.597
  159    H1*    G  15           H1*        G  15  24.043  13.011   7.779
  160    H8     G  15           H8         G  15  26.672  14.039   9.251
  161    H1     G  15           H1         G  15  23.773  19.590   8.084
  162   1H2     G  15          1H2         G  15  21.626  19.240   7.642
  163   2H2     G  15          2H2         G  15  20.919  17.640   7.628
  164   1H5*    U  16          1H5*        U  16  22.379   7.526   8.402
  165   2H5*    U  16          2H5*        U  16  22.192   9.262   8.073
  166    H4*    U  16           H4*        U  16  19.791   7.523   8.675
  167    H3*    U  16           H3*        U  16  21.410   6.911   6.516
  168    H2*    U  16           H2*        U  16  21.284   9.024   5.432
  169   2HO*    U  16          2HO*        U  16  20.112   8.597   3.692
  170    H1*    U  16           H1*        U  16  18.367   9.310   6.151
  171    H3     U  16           H3         U  16  18.700  13.155   3.779
  172    H5     U  16           H5         U  16  21.668  13.533   6.746
  173    H6     U  16           H6         U  16  21.207  11.247   7.409
  174   1H5*    G  17          1H5*        G  17  20.987   5.716   9.308
  175   2H5*    G  17          2H5*        G  17  20.245   4.236   9.946
  176    H4*    G  17           H4*        G  17  20.512   6.064  11.674
  177    H3*    G  17           H3*        G  17  18.443   4.307  11.304
  178    H2*    G  17           H2*        G  17  16.646   5.722  10.767
  179   2HO*    G  17          2HO*        G  17  15.868   6.900  12.589
  180    H1*    G  17           H1*        G  17  17.782   8.216  11.914
  181    H8     G  17           H8         G  17  17.454   6.720   8.347
  182    H1     G  17           H1         G  17  13.707  11.734   9.536
  183   1H2     G  17          1H2         G  17  15.094  11.619  12.729
  184   2H2     G  17          2H2         G  17  13.979  12.399  11.632
  185   1H5*    C  18          1H5*        C  18  15.928   2.174  13.277
  186   2H5*    C  18          2H5*        C  18  17.126   2.813  12.133
  187    H4*    C  18           H4*        C  18  15.350   4.951  12.809
  188    H3*    C  18           H3*        C  18  13.869   2.693  13.240
  189    H2*    C  18           H2*        C  18  14.215   1.664  11.117
  190   2HO*    C  18          2HO*        C  18  12.056   3.499  10.716
  191    H1*    C  18           H1*        C  18  13.936   4.277   9.647
  192   1H4     C  18          1H4         C  18  17.872   0.409   6.025
  193   2H4     C  18          2H4         C  18  16.269  -0.013   5.462
  194    H5     C  18           H5         C  18  18.269   1.845   7.918
  195    H6     C  18           H6         C  18  17.221   3.205   9.666
  196   1H5*    U  19          1H5*        U  19  14.077   5.226  14.207
  197   2H5*    U  19          2H5*        U  19  13.886   5.071  15.960
  198    H4*    U  19           H4*        U  19  13.696   7.312  16.063
  199    H3*    U  19           H3*        U  19  11.148   6.642  14.561
  200    H2*    U  19           H2*        U  19  10.807   8.897  14.068
  201   2HO*    U  19          2HO*        U  19  12.303   9.266  16.406
  202    H1*    U  19           H1*        U  19  13.509   9.665  13.825
  203    H3     U  19           H3         U  19  10.705  10.264  10.077
  204    H5     U  19           H5         U  19  13.041   6.802   9.508
  205    H6     U  19           H6         U  19  13.654   6.909  11.852
  206   1H5*    U  20          1H5*        U  20   9.006   9.054  17.754
  207   2H5*    U  20          2H5*        U  20   7.367   8.413  17.522
  208    H4*    U  20           H4*        U  20   8.068  10.842  16.642
  209    H3*    U  20           H3*        U  20   6.250   8.778  15.350
  210    H2*    U  20           H2*        U  20   5.967  10.187  13.508
  211   2HO*    U  20          2HO*        U  20   5.437  11.979  15.091
  212    H1*    U  20           H1*        U  20   8.460  11.563  13.711
  213    H3     U  20           H3         U  20   7.707  10.154   9.405
  214    H5     U  20           H5         U  20   9.124   6.766  11.467
  215    H6     U  20           H6         U  20   8.935   8.024  13.534
  216   1H5*    G  21          1H5*        G  21   4.170  13.085  16.514
  217   2H5*    G  21          2H5*        G  21   2.513  12.555  16.870
  218    H4*    G  21           H4*        G  21   2.491  14.618  15.534
  219    H3*    G  21           H3*        G  21   1.500  12.050  14.265
  220    H2*    G  21           H2*        G  21   0.987  13.238  12.263
  221   2HO*    G  21          2HO*        G  21   0.691  15.311  14.018
  222    H1*    G  21           H1*        G  21   3.225  14.807  12.192
  223    H8     G  21           H8         G  21   4.365  11.435  13.301
  224    H1     G  21           H1         G  21   2.954  11.536   7.087
  225   1H2     G  21          1H2         G  21   1.538  14.645   7.769
  226   2H2     G  21          2H2         G  21   1.904  13.421   6.577
  227   1H5*    G  22          1H5*        G  22  -2.659  11.622  12.880
  228   2H5*    G  22          2H5*        G  22  -0.904  11.881  12.841
  229    H4*    G  22           H4*        G  22  -2.385  14.324  12.176
  230    H3*    G  22           H3*        G  22  -2.947  11.750  10.673
  231    H2*    G  22           H2*        G  22  -2.887  12.931   8.631
  232   2HO*    G  22          2HO*        G  22  -3.128  15.205  10.308
  233    H1*    G  22           H1*        G  22  -0.595  14.350   9.177
  234    H8     G  22           H8         G  22   0.594  11.381  10.713
  235    H1     G  22           H1         G  22  -0.734  10.046   4.622
  236   1H2     G  22          1H2         G  22  -2.486  13.058   4.658
  237   2H2     G  22          2H2         G  22  -1.978  11.655   3.742
  238   1H5*    A  23          1H5*        A  23  -6.484  13.746   9.422
  239   2H5*    A  23          2H5*        A  23  -7.824  12.585   9.325
  240    H4*    A  23           H4*        A  23  -6.916  13.372   7.088
  241    H3*    A  23           H3*        A  23  -7.012  10.448   7.897
  242    H2*    A  23           H2*        A  23  -6.124   9.839   5.788
  243   2HO*    A  23          2HO*        A  23  -6.334  11.068   4.011
  244    H1*    A  23           H1*        A  23  -4.290  11.887   5.561
  245    H8     A  23           H8         A  23  -3.655  10.978   8.993
  246   1H6     A  23          1H6         A  23  -1.308   6.794   8.504
  247   2H6     A  23          2H6         A  23  -1.084   5.698   7.158
  248    H2     A  23           H2         A  23  -3.332   7.449   3.673
  249   1H5*    C  24          1H5*        C  24  -9.216   9.691   4.478
  250   2H5*    C  24          2H5*        C  24 -10.426   8.480   4.950
  251    H4*    C  24           H4*        C  24  -8.613   7.581   3.454
  252    H3*    C  24           H3*        C  24  -9.092   6.468   6.239
  253    H2*    C  24           H2*        C  24  -7.335   4.912   5.923
  254   2HO*    C  24          2HO*        C  24  -7.251   5.583   3.150
  255    H1*    C  24           H1*        C  24  -5.615   6.541   4.504
  256   1H4     C  24          1H4         C  24  -4.617   7.662  10.947
  257   2H4     C  24          2H4         C  24  -3.644   6.256  10.579
  258    H5     C  24           H5         C  24  -6.132   8.669   9.364
  259    H6     C  24           H6         C  24  -7.086   8.505   7.115
  260   1H5*    G  25          1H5*        G  25 -12.453   3.298   6.254
  261   2H5*    G  25          2H5*        G  25 -11.377   3.277   7.666
  262    H4*    G  25           H4*        G  25 -10.841   2.394   4.840
  263    H3*    G  25           H3*        G  25 -10.358   1.348   7.655
  264    H2*    G  25           H2*        G  25  -8.517   0.089   6.842
  265   2HO*    G  25          2HO*        G  25  -8.773  -0.739   4.905
  266    H1*    G  25           H1*        G  25  -7.409   2.074   5.343
  267    H8     G  25           H8         G  25  -8.533   4.151   8.076
  268    H1     G  25           H1         G  25  -4.307  -0.062  10.319
  269   1H2     G  25          1H2         G  25  -4.737  -1.666   7.250
  270   2H2     G  25          2H2         G  25  -3.937  -1.648   8.805
  271   1H5*    C  26          1H5*        C  26 -10.010  -2.008   5.946
  272   2H5*    C  26          2H5*        C  26 -11.127  -3.282   6.476
  273    H4*    C  26           H4*        C  26  -8.901  -4.077   6.908
  274    H3*    C  26           H3*        C  26 -10.452  -3.141   9.338
  275    H2*    C  26           H2*        C  26  -8.615  -3.640  10.744
  276   2HO*    C  26          2HO*        C  26  -7.146  -5.140  10.259
  277    H1*    C  26           H1*        C  26  -6.620  -2.698   9.118
  278   1H4     C  26          1H4         C  26  -9.408   2.517  12.099
  279   2H4     C  26          2H4         C  26  -8.210   1.931  13.230
  280    H5     C  26           H5         C  26  -9.930   1.395  10.030
  281    H6     C  26           H6         C  26  -9.470  -0.568   8.640
  282   1H5*    U  27          1H5*        U  27 -12.802  -5.662  11.918
  283   2H5*    U  27          2H5*        U  27 -12.475  -3.998  12.444
  284    H4*    U  27           H4*        U  27 -10.570  -6.362  12.421
  285    H3*    U  27           H3*        U  27 -11.877  -4.614  14.519
  286    H2*    U  27           H2*        U  27  -9.919  -4.648  15.841
  287   2HO*    U  27          2HO*        U  27  -8.230  -6.253  14.549
  288    H1*    U  27           H1*        U  27  -8.065  -4.421  13.839
  289    H3     U  27           H3         U  27  -8.517  -0.683  16.603
  290    H5     U  27           H5         U  27 -10.913  -0.019  13.202
  291    H6     U  27           H6         U  27 -10.560  -2.336  12.579
  292   1H5*    C  28          1H5*        C  28  -9.892  -7.124  16.825
  293   2H5*    C  28          2H5*        C  28 -10.991  -8.151  17.769
  294    H4*    C  28           H4*        C  28  -9.408  -7.179  19.306
  295    H3*    C  28           H3*        C  28 -12.216  -6.049  19.359
  296    H2*    C  28           H2*        C  28 -11.619  -4.464  20.988
  297   2HO*    C  28          2HO*        C  28 -10.530  -5.372  22.575
  298    H1*    C  28           H1*        C  28  -9.026  -3.939  20.149
  299   1H4     C  28          1H4         C  28 -13.144   0.019  16.806
  300   2H4     C  28          2H4         C  28 -12.678   0.925  18.228
  301    H5     C  28           H5         C  28 -12.505  -2.271  16.431
  302    H6     C  28           H6         C  28 -11.291  -4.194  17.340
  303   1H5*    C  29          1H5*        C  29 -14.611  -6.184  23.217
  304   2H5*    C  29          2H5*        C  29 -13.854  -5.167  21.974
  305    H4*    C  29           H4*        C  29 -12.712  -5.151  24.760
  306    H3*    C  29           H3*        C  29 -15.316  -3.896  23.850
  307    H2*    C  29           H2*        C  29 -14.822  -1.944  25.036
  308   2HO*    C  29          2HO*        C  29 -12.925  -3.560  26.426
  309    H1*    C  29           H1*        C  29 -12.087  -1.910  24.547
  310   1H4     C  29          1H4         C  29 -15.227   1.038  19.500
  311   2H4     C  29          2H4         C  29 -14.969   2.308  20.672
  312    H5     C  29           H5         C  29 -14.687  -1.273  19.914
  313    H6     C  29           H6         C  29 -13.809  -2.872  21.547
  314    H3T    C  29           H3T        C  29 -14.357  -5.470  25.911
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1 -13.261  12.068  22.821
    2   2H5*    G   1          2H5*        G   1 -11.524  12.109  22.454
    3    H4*    G   1           H4*        G   1 -11.823  10.922  24.541
    4    H3*    G   1           H3*        G   1 -11.100   9.248  22.116
    5    H2*    G   1           H2*        G   1 -11.158   7.275  23.446
    6   2HO*    G   1          2HO*        G   1 -11.298   7.434  25.765
    7    H1*    G   1           H1*        G   1 -13.383   7.840  24.897
    8    H8     G   1           H8         G   1 -14.464   9.034  21.625
    9    H1     G   1           H1         G   1 -13.538   2.739  21.436
   10   1H2     G   1          1H2         G   1 -12.466   2.070  23.175
   11   2H2     G   1          2H2         G   1 -11.942   3.116  24.460
   12    H5T    G   1           H5T        G   1 -12.057  11.255  20.636
   13   1H5*    G   2          1H5*        G   2  -8.370   8.461  25.814
   14   2H5*    G   2          2H5*        G   2  -6.757   8.143  25.145
   15    H4*    G   2           H4*        G   2  -7.635   6.431  26.824
   16    H3*    G   2           H3*        G   2  -6.604   5.767  24.055
   17    H2*    G   2           H2*        G   2  -7.102   3.457  24.395
   18   2HO*    G   2          2HO*        G   2  -6.239   3.203  26.462
   19    H1*    G   2           H1*        G   2  -9.476   3.723  25.658
   20    H8     G   2           H8         G   2  -9.597   6.302  22.998
   21    H1     G   2           H1         G   2 -10.009   0.436  20.544
   22   1H2     G   2          1H2         G   2  -9.007  -0.629  23.708
   23   2H2     G   2          2H2         G   2  -9.466  -1.072  22.079
   24   1H5*    A   3          1H5*        A   3  -3.879   3.598  22.946
   25   2H5*    A   3          2H5*        A   3  -5.645   3.495  23.085
   26    H4*    A   3           H4*        A   3  -4.254   1.120  24.147
   27    H3*    A   3           H3*        A   3  -3.769   2.085  21.321
   28    H2*    A   3           H2*        A   3  -4.075  -0.090  20.478
   29   2HO*    A   3          2HO*        A   3  -3.224  -1.609  21.691
   30    H1*    A   3           H1*        A   3  -6.274  -0.755  22.000
   31    H8     A   3           H8         A   3  -6.492   2.896  21.051
   32   1H6     A   3          1H6         A   3  -8.685   2.470  16.777
   33   2H6     A   3          2H6         A   3  -9.053   1.101  15.751
   34    H2     A   3           H2         A   3  -7.488  -2.556  17.846
   35   1H5*    G   4          1H5*        G   4  -0.133  -0.960  19.367
   36   2H5*    G   4          2H5*        G   4  -1.592  -0.032  18.966
   37    H4*    G   4           H4*        G   4  -1.605  -2.968  19.774
   38    H3*    G   4           H3*        G   4  -1.431  -1.594  17.075
   39    H2*    G   4           H2*        G   4  -2.880  -3.192  16.144
   40   2HO*    G   4          2HO*        G   4  -1.863  -4.774  18.078
   41    H1*    G   4           H1*        G   4  -4.704  -3.234  18.208
   42    H8     G   4           H8         G   4  -3.935   0.317  18.178
   43    H1     G   4           H1         G   4  -7.097  -1.307  12.888
   44   1H2     G   4          1H2         G   4  -6.342  -4.584  13.817
   45   2H2     G   4          2H2         G   4  -7.118  -3.517  12.666
   46   1H5*    U   5          1H5*        U   5  -0.839  -5.282  16.046
   47   2H5*    U   5          2H5*        U   5   0.519  -5.665  14.967
   48    H4*    U   5           H4*        U   5  -1.535  -6.219  13.807
   49    H3*    U   5           H3*        U   5  -0.129  -3.695  12.884
   50    H2*    U   5           H2*        U   5  -1.780  -3.390  11.207
   51   2HO*    U   5          2HO*        U   5  -2.194  -6.140  11.630
   52    H1*    U   5           H1*        U   5  -3.957  -4.083  12.768
   53    H3     U   5           H3         U   5  -4.442   0.384  12.180
   54    H5     U   5           H5         U   5  -1.446   0.015  15.118
   55    H6     U   5           H6         U   5  -1.316  -2.345  14.592
   56   1H5*    G   6          1H5*        G   6   2.575  -2.847  11.200
   57   2H5*    G   6          2H5*        G   6   0.848  -3.231  11.321
   58    H4*    G   6           H4*        G   6   1.700  -3.828   8.652
   59    H3*    G   6           H3*        G   6   3.426  -1.879   9.554
   60    H2*    G   6           H2*        G   6   1.672  -0.372  10.261
   61   2HO*    G   6          2HO*        G   6   1.383   0.970   8.097
   62    H1*    G   6           H1*        G   6   0.261  -0.965   7.676
   63    H8     G   6           H8         G   6  -0.413  -0.552  11.493
   64    H1     G   6           H1         G   6  -4.266   2.862   7.744
   65   1H2     G   6          1H2         G   6  -2.597   1.310   5.109
   66   2H2     G   6          2H2         G   6  -3.842   2.431   5.613
   67   1H5*    C   7          1H5*        C   7   4.942  -2.614   4.376
   68   2H5*    C   7          2H5*        C   7   5.896  -1.142   4.646
   69    H4*    C   7           H4*        C   7   2.965  -1.467   4.200
   70    H3*    C   7           H3*        C   7   4.988  -0.194   2.850
   71    H2*    C   7           H2*        C   7   5.433   1.443   4.501
   72   2HO*    C   7          2HO*        C   7   4.600   3.347   3.718
   73    H1*    C   7           H1*        C   7   2.521   1.803   5.185
   74   1H4     C   7          1H4         C   7   6.280   4.928   9.421
   75   2H4     C   7          2H4         C   7   6.571   3.390  10.203
   76    H5     C   7           H5         C   7   5.788   1.289   9.317
   77    H6     C   7           H6         C   7   4.495   0.224   7.513
   78   1H5*    U   8          1H5*        U   8   0.840   0.202   2.428
   79   2H5*    U   8          2H5*        U   8   0.146  -0.859   1.184
   80    H4*    U   8           H4*        U   8  -1.284   0.825   0.371
   81    H3*    U   8           H3*        U   8   0.669   2.757   1.671
   82    H2*    U   8           H2*        U   8  -1.116   4.311   1.956
   83   2HO*    U   8          2HO*        U   8  -2.002   3.329  -0.279
   84    H1*    U   8           H1*        U   8  -2.992   2.525   2.809
   85    H3     U   8           H3         U   8  -1.388   5.389   6.103
   86    H5     U   8           H5         U   8   0.883   1.852   6.349
   87    H6     U   8           H6         U   8  -0.106   1.142   4.252
   88   1H5*    U   9          1H5*        U   9  -1.401   5.057  -1.076
   89   2H5*    U   9          2H5*        U   9  -0.347   6.120  -2.031
   90    H4*    U   9           H4*        U   9  -2.028   7.442  -0.827
   91    H3*    U   9           H3*        U   9   0.878   7.693  -0.018
   92    H2*    U   9           H2*        U   9   0.317   9.218   1.670
   93   2HO*    U   9          2HO*        U   9  -2.111   9.580   0.212
   94    H1*    U   9           H1*        U   9  -2.142   8.135   2.415
   95    H3     U   9           H3         U   9   0.676   8.058   6.012
   96    H5     U   9           H5         U   9   1.752   4.727   3.671
   97    H6     U   9           H6         U   9   0.320   5.604   1.906
   98   1H5*    C  10          1H5*        C  10   3.349  11.172  -1.865
   99   2H5*    C  10          2H5*        C  10   2.865   9.721  -0.966
  100    H4*    C  10           H4*        C  10   1.048  12.065  -0.694
  101    H3*    C  10           H3*        C  10   3.953  12.127   0.147
  102    H2*    C  10           H2*        C  10   3.410  12.783   2.299
  103   2HO*    C  10          2HO*        C  10   2.392  14.672   1.987
  104    H1*    C  10           H1*        C  10   0.679  11.875   2.332
  105   1H4     C  10          1H4         C  10   4.343   7.790   6.014
  106   2H4     C  10          2H4         C  10   3.703   8.970   7.136
  107    H5     C  10           H5         C  10   4.042   7.937   3.632
  108    H6     C  10           H6         C  10   3.101   9.269   1.803
  109   1H5*    A  11          1H5*        A  11   5.782  16.346   1.089
  110   2H5*    A  11          2H5*        A  11   5.609  14.744   1.835
  111    H4*    A  11           H4*        A  11   4.325  17.314   2.857
  112    H3*    A  11           H3*        A  11   6.822  15.763   3.632
  113    H2*    A  11           H2*        A  11   6.437  16.319   5.897
  114   2HO*    A  11          2HO*        A  11   5.476  18.141   6.399
  115    H1*    A  11           H1*        A  11   3.770  15.728   5.895
  116    H8     A  11           H8         A  11   4.812  13.069   3.687
  117   1H6     A  11          1H6         A  11   6.989  10.012   6.714
  118   2H6     A  11          2H6         A  11   7.567  10.164   8.359
  119    H2     A  11           H2         A  11   6.671  14.361   9.674
  120   1H5*    A  12          1H5*        A  12   7.461  19.697   5.226
  121   2H5*    A  12          2H5*        A  12   9.130  20.272   5.030
  122    H4*    A  12           H4*        A  12   8.444  20.156   7.421
  123    H3*    A  12           H3*        A  12  10.650  18.326   6.405
  124    H2*    A  12           H2*        A  12  10.948  17.528   8.612
  125   2HO*    A  12          2HO*        A  12  10.618  19.941   9.332
  126    H1*    A  12           H1*        A  12   8.268  17.544   9.355
  127    H8     A  12           H8         A  12   8.320  15.875   6.076
  128   1H6     A  12          1H6         A  12   9.931  11.485   7.305
  129   2H6     A  12          2H6         A  12  10.649  10.842   8.765
  130    H2     A  12           H2         A  12  10.892  14.230  11.702
  131   1H5*    C  13          1H5*        C  13  12.156  21.063   9.895
  132   2H5*    C  13          2H5*        C  13  13.832  21.439   9.450
  133    H4*    C  13           H4*        C  13  13.697  20.663  11.785
  134    H3*    C  13           H3*        C  13  15.132  18.945   9.742
  135    H2*    C  13           H2*        C  13  15.628  17.333  11.444
  136   2HO*    C  13          2HO*        C  13  15.996  17.986  13.430
  137    H1*    C  13           H1*        C  13  13.204  17.353  12.687
  138   1H4     C  13          1H4         C  13  13.156  12.663   8.338
  139   2H4     C  13          2H4         C  13  12.735  13.815   7.091
  140    H5     C  13           H5         C  13  12.585  16.187   7.482
  141    H6     C  13           H6         C  13  12.831  17.967   9.138
  142   1H5*    A  14          1H5*        A  14  18.974  19.488  11.873
  143   2H5*    A  14          2H5*        A  14  20.010  18.987  10.521
  144    H4*    A  14           H4*        A  14  19.045  17.338  12.566
  145    H3*    A  14           H3*        A  14  20.143  16.768   9.770
  146    H2*    A  14           H2*        A  14  19.697  14.482  10.130
  147   2HO*    A  14          2HO*        A  14  19.509  15.029  12.931
  148    H1*    A  14           H1*        A  14  17.483  14.850  11.853
  149    H8     A  14           H8         A  14  15.864  16.328   9.239
  150   1H6     A  14          1H6         A  14  16.386  11.493   5.473
  151   2H6     A  14          2H6         A  14  15.553  13.004   5.764
  152    H2     A  14           H2         A  14  19.308  10.950   8.846
  153   1H5*    G  15          1H5*        G  15  23.672  16.216   8.356
  154   2H5*    G  15          2H5*        G  15  22.363  16.800   7.309
  155    H4*    G  15           H4*        G  15  21.895  14.660   9.399
  156    H3*    G  15           H3*        G  15  23.666  14.229   7.327
  157    H2*    G  15           H2*        G  15  22.182  14.664   5.555
  158   2HO*    G  15          2HO*        G  15  22.818  12.394   5.498
  159    H1*    G  15           H1*        G  15  19.917  13.303   7.000
  160    H8     G  15           H8         G  15  20.439  13.920   3.951
  161    H1     G  15           H1         G  15  16.496  18.717   5.374
  162   1H2     G  15          1H2         G  15  16.415  18.993   7.572
  163   2H2     G  15          2H2         G  15  17.321  17.988   8.680
  164   1H5*    U  16          1H5*        U  16  21.684  10.648   9.794
  165   2H5*    U  16          2H5*        U  16  23.074   9.602  10.145
  166    H4*    U  16           H4*        U  16  21.200   8.162  10.259
  167    H3*    U  16           H3*        U  16  23.139   7.641   8.359
  168    H2*    U  16           H2*        U  16  21.964   8.545   6.495
  169   2HO*    U  16          2HO*        U  16  22.182   6.065   6.444
  170    H1*    U  16           H1*        U  16  19.368   7.379   7.518
  171    H3     U  16           H3         U  16  16.854   9.434   4.444
  172    H5     U  16           H5         U  16  20.235  11.936   4.671
  173    H6     U  16           H6         U  16  21.126  10.474   6.386
  174   1H5*    G  17          1H5*        G  17  20.302   4.853  11.952
  175   2H5*    G  17          2H5*        G  17  20.016   6.015  10.639
  176    H4*    G  17           H4*        G  17  20.920   7.095  13.293
  177    H3*    G  17           H3*        G  17  18.811   5.326  13.294
  178    H2*    G  17           H2*        G  17  17.079   6.583  12.323
  179   2HO*    G  17          2HO*        G  17  17.592   8.080  14.685
  180    H1*    G  17           H1*        G  17  18.240   9.262  12.861
  181    H8     G  17           H8         G  17  17.993   6.922   9.772
  182    H1     G  17           H1         G  17  14.545  12.272   9.416
  183   1H2     G  17          1H2         G  17  15.821  12.936  12.591
  184   2H2     G  17          2H2         G  17  14.801  13.461  11.271
  185   1H5*    C  18          1H5*        C  18  16.449   4.061  16.375
  186   2H5*    C  18          2H5*        C  18  16.511   3.192  14.827
  187    H4*    C  18           H4*        C  18  16.055   6.192  15.046
  188    H3*    C  18           H3*        C  18  14.191   4.489  15.999
  189    H2*    C  18           H2*        C  18  14.140   2.976  14.143
  190   2HO*    C  18          2HO*        C  18  12.346   4.967  13.173
  191    H1*    C  18           H1*        C  18  14.130   5.187  12.109
  192   1H4     C  18          1H4         C  18  17.255   0.089   9.336
  193   2H4     C  18          2H4         C  18  15.576  -0.358   9.132
  194    H5     C  18           H5         C  18  17.968   1.979  10.646
  195    H6     C  18           H6         C  18  17.230   3.849  12.046
  196   1H5*    U  19          1H5*        U  19  14.898   7.769  15.552
  197   2H5*    U  19          2H5*        U  19  15.465   7.896  17.228
  198    H4*    U  19           H4*        U  19  15.053  10.124  17.306
  199    H3*    U  19           H3*        U  19  12.414   9.365  16.032
  200    H2*    U  19           H2*        U  19  12.124  11.546  15.194
  201   2HO*    U  19          2HO*        U  19  13.639  13.254  15.976
  202    H1*    U  19           H1*        U  19  14.759  12.093  14.546
  203    H3     U  19           H3         U  19  11.662  11.757  11.014
  204    H5     U  19           H5         U  19  13.917   8.200  11.185
  205    H6     U  19           H6         U  19  14.712   8.887  13.371
  206   1H5*    U  20          1H5*        U  20   8.582  10.381  16.997
  207   2H5*    U  20          2H5*        U  20  10.093  10.257  16.073
  208    H4*    U  20           H4*        U  20   9.466  13.027  16.808
  209    H3*    U  20           H3*        U  20   7.369  11.342  15.418
  210    H2*    U  20           H2*        U  20   7.024  13.023  13.791
  211   2HO*    U  20          2HO*        U  20   8.417  14.718  15.621
  212    H1*    U  20           H1*        U  20   9.633  13.757  13.406
  213    H3     U  20           H3         U  20   7.479  11.345   9.977
  214    H5     U  20           H5         U  20   9.990   8.702  12.083
  215    H6     U  20           H6         U  20  10.258  10.411  13.782
  216   1H5*    G  21          1H5*        G  21   3.618  15.027  16.511
  217   2H5*    G  21          2H5*        G  21   2.873  13.543  15.885
  218    H4*    G  21           H4*        G  21   3.087  16.096  14.605
  219    H3*    G  21           H3*        G  21   1.994  13.359  13.871
  220    H2*    G  21           H2*        G  21   1.653  14.144  11.656
  221   2HO*    G  21          2HO*        G  21   0.766  16.185  12.162
  222    H1*    G  21           H1*        G  21   4.016  15.516  11.430
  223    H8     G  21           H8         G  21   5.059  12.412  13.116
  224    H1     G  21           H1         G  21   3.203  11.212   7.136
  225   1H2     G  21          1H2         G  21   1.920  14.452   7.209
  226   2H2     G  21          2H2         G  21   2.161  12.980   6.294
  227   1H5*    G  22          1H5*        G  22  -2.556  12.844  13.917
  228   2H5*    G  22          2H5*        G  22  -0.802  12.715  13.682
  229    H4*    G  22           H4*        G  22  -2.071  15.237  12.715
  230    H3*    G  22           H3*        G  22  -2.709  12.493  11.601
  231    H2*    G  22           H2*        G  22  -2.518  13.315   9.405
  232   2HO*    G  22          2HO*        G  22  -3.570  15.269   9.492
  233    H1*    G  22           H1*        G  22  -0.215  14.790   9.804
  234    H8     G  22           H8         G  22   0.999  12.101  11.708
  235    H1     G  22           H1         G  22  -0.342   9.918   5.871
  236   1H2     G  22          1H2         G  22  -1.651  11.351   4.804
  237   2H2     G  22          2H2         G  22  -2.205  12.841   5.534
  238   1H5*    A  23          1H5*        A  23  -6.299  14.360  10.329
  239   2H5*    A  23          2H5*        A  23  -7.596  13.154  10.216
  240    H4*    A  23           H4*        A  23  -6.166  13.759   8.084
  241    H3*    A  23           H3*        A  23  -7.055  11.019   9.033
  242    H2*    A  23           H2*        A  23  -5.843   9.991   7.331
  243   2HO*    A  23          2HO*        A  23  -5.638  10.865   5.319
  244    H1*    A  23           H1*        A  23  -3.934  12.088   6.891
  245    H8     A  23           H8         A  23  -2.936  11.074  10.122
  246   1H6     A  23          1H6         A  23  -0.813   6.822   9.316
  247   2H6     A  23          2H6         A  23  -0.809   5.725   7.955
  248    H2     A  23           H2         A  23  -3.453   7.549   4.809
  249   1H5*    C  24          1H5*        C  24 -10.058   8.527   6.828
  250   2H5*    C  24          2H5*        C  24  -8.534   8.487   7.739
  251    H4*    C  24           H4*        C  24  -8.814   7.949   4.755
  252    H3*    C  24           H3*        C  24  -8.723   6.148   7.189
  253    H2*    C  24           H2*        C  24  -7.268   4.651   6.090
  254   2HO*    C  24          2HO*        C  24  -6.872   4.987   3.743
  255    H1*    C  24           H1*        C  24  -5.692   6.485   4.784
  256   1H4     C  24          1H4         C  24  -3.456   6.105  10.999
  257   2H4     C  24          2H4         C  24  -2.902   4.617  10.264
  258    H5     C  24           H5         C  24  -4.941   7.647   9.896
  259    H6     C  24           H6         C  24  -6.203   8.108   7.848
  260   1H5*    G  25          1H5*        G  25 -12.662   2.726   6.647
  261   2H5*    G  25          2H5*        G  25 -11.141   3.339   7.328
  262    H4*    G  25           H4*        G  25 -11.339   2.013   4.596
  263    H3*    G  25           H3*        G  25 -10.869   0.844   7.363
  264    H2*    G  25           H2*        G  25  -9.268  -0.643   6.436
  265   2HO*    G  25          2HO*        G  25 -10.191   0.268   3.880
  266    H1*    G  25           H1*        G  25  -7.966   1.200   4.914
  267    H8     G  25           H8         G  25  -8.622   3.356   7.728
  268    H1     G  25           H1         G  25  -4.986  -1.495   9.698
  269   1H2     G  25          1H2         G  25  -5.798  -2.952   6.634
  270   2H2     G  25          2H2         G  25  -4.932  -3.084   8.148
  271   1H5*    C  26          1H5*        C  26 -11.245  -2.507   5.611
  272   2H5*    C  26          2H5*        C  26 -12.471  -3.618   6.253
  273    H4*    C  26           H4*        C  26 -10.324  -4.684   6.512
  274    H3*    C  26           H3*        C  26 -11.566  -3.572   9.044
  275    H2*    C  26           H2*        C  26  -9.708  -4.308  10.312
  276   2HO*    C  26          2HO*        C  26  -8.219  -5.805   9.520
  277    H1*    C  26           H1*        C  26  -7.741  -3.598   8.543
  278   1H4     C  26          1H4         C  26  -9.594   1.946  11.637
  279   2H4     C  26          2H4         C  26  -8.424   1.204  12.704
  280    H5     C  26           H5         C  26 -10.408   0.888   9.632
  281    H6     C  26           H6         C  26 -10.321  -1.131   8.249
  282   1H5*    U  27          1H5*        U  27 -13.980  -4.944  11.695
  283   2H5*    U  27          2H5*        U  27 -12.841  -4.144  10.596
  284    H4*    U  27           H4*        U  27 -11.609  -6.527  11.672
  285    H3*    U  27           H3*        U  27 -13.075  -4.763  13.648
  286    H2*    U  27           H2*        U  27 -11.199  -4.696  15.069
  287   2HO*    U  27          2HO*        U  27 -10.763  -6.927  15.096
  288    H1*    U  27           H1*        U  27  -9.209  -4.632  13.145
  289    H3     U  27           H3         U  27  -9.301  -0.784  15.687
  290    H5     U  27           H5         U  27 -11.998  -0.149  12.513
  291    H6     U  27           H6         U  27 -11.770  -2.493  11.936
  292   1H5*    C  28          1H5*        C  28 -13.822  -6.543  17.965
  293   2H5*    C  28          2H5*        C  28 -13.373  -5.084  17.057
  294    H4*    C  28           H4*        C  28 -11.350  -6.797  18.543
  295    H3*    C  28           H3*        C  28 -13.131  -4.552  19.521
  296    H2*    C  28           H2*        C  28 -11.325  -3.559  20.675
  297   2HO*    C  28          2HO*        C  28  -9.816  -4.755  21.565
  298    H1*    C  28           H1*        C  28  -9.360  -3.988  18.807
  299   1H4     C  28          1H4         C  28 -12.675   1.344  16.763
  300   2H4     C  28          2H4         C  28 -11.724   1.933  18.109
  301    H5     C  28           H5         C  28 -12.827  -0.987  16.176
  302    H6     C  28           H6         C  28 -12.090  -3.254  16.740
  303   1H5*    C  29          1H5*        C  29 -11.863  -6.039  23.126
  304   2H5*    C  29          2H5*        C  29 -13.148  -6.407  24.294
  305    H4*    C  29           H4*        C  29 -11.739  -4.668  25.228
  306    H3*    C  29           H3*        C  29 -14.440  -3.747  24.199
  307    H2*    C  29           H2*        C  29 -13.982  -1.578  24.916
  308   2HO*    C  29          2HO*        C  29 -13.252  -2.365  27.049
  309    H1*    C  29           H1*        C  29 -11.202  -1.646  24.453
  310   1H4     C  29          1H4         C  29 -14.290   0.717  19.082
  311   2H4     C  29          2H4         C  29 -13.816   2.127  20.002
  312    H5     C  29           H5         C  29 -13.995  -1.540  19.870
  313    H6     C  29           H6         C  29 -13.191  -2.941  21.711
  314    H3T    C  29           H3T        C  29 -13.663  -5.142  26.253
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1 -15.033   9.343  22.441
    2   2H5*    G   1          2H5*        G   1 -15.647  10.653  23.470
    3    H4*    G   1           H4*        G   1 -14.370   9.784  25.381
    4    H3*    G   1           H3*        G   1 -13.261   7.889  23.281
    5    H2*    G   1           H2*        G   1 -13.199   6.146  24.916
    6   2HO*    G   1          2HO*        G   1 -12.533   6.853  26.816
    7    H1*    G   1           H1*        G   1 -15.634   6.611  26.023
    8    H8     G   1           H8         G   1 -16.641   7.231  22.635
    9    H1     G   1           H1         G   1 -14.612   1.206  23.094
   10   1H2     G   1          1H2         G   1 -13.252   2.218  26.141
   11   2H2     G   1          2H2         G   1 -13.497   0.922  24.992
   12    H5T    G   1           H5T        G   1 -13.415  11.285  23.737
   13   1H5*    G   2          1H5*        G   2 -10.219   7.789  26.392
   14   2H5*    G   2          2H5*        G   2  -8.621   7.474  25.685
   15    H4*    G   2           H4*        G   2  -9.620   5.642  27.193
   16    H3*    G   2           H3*        G   2  -8.502   5.221  24.407
   17    H2*    G   2           H2*        G   2  -9.043   2.914  24.515
   18   2HO*    G   2          2HO*        G   2  -9.318   1.835  26.422
   19    H1*    G   2           H1*        G   2 -11.442   3.113  25.819
   20    H8     G   2           H8         G   2 -12.048   5.705  23.421
   21    H1     G   2           H1         G   2 -11.139   0.217  20.310
   22   1H2     G   2          1H2         G   2  -9.829  -0.925  23.332
   23   2H2     G   2          2H2         G   2 -10.218  -1.280  21.664
   24   1H5*    A   3          1H5*        A   3  -5.703   3.418  23.077
   25   2H5*    A   3          2H5*        A   3  -7.442   3.113  23.245
   26    H4*    A   3           H4*        A   3  -5.869   0.780  24.035
   27    H3*    A   3           H3*        A   3  -5.283   2.106  21.377
   28    H2*    A   3           H2*        A   3  -5.413   0.037  20.255
   29   2HO*    A   3          2HO*        A   3  -4.230  -1.016  22.123
   30    H1*    A   3           H1*        A   3  -7.607  -0.977  21.567
   31    H8     A   3           H8         A   3  -8.509   2.581  21.169
   32   1H6     A   3          1H6         A   3  -9.852   2.679  16.542
   33   2H6     A   3          2H6         A   3  -9.720   1.527  15.232
   34    H2     A   3           H2         A   3  -7.605  -2.080  16.878
   35   1H5*    G   4          1H5*        G   4  -0.749  -0.426  19.730
   36   2H5*    G   4          2H5*        G   4  -2.153   0.516  19.188
   37    H4*    G   4           H4*        G   4  -2.213  -2.462  19.826
   38    H3*    G   4           H3*        G   4  -1.831  -0.935  17.225
   39    H2*    G   4           H2*        G   4  -3.120  -2.581  16.107
   40   2HO*    G   4          2HO*        G   4  -2.603  -4.537  16.865
   41    H1*    G   4           H1*        G   4  -5.122  -2.718  17.976
   42    H8     G   4           H8         G   4  -4.487   0.853  18.115
   43    H1     G   4           H1         G   4  -6.887  -0.726  12.424
   44   1H2     G   4          1H2         G   4  -6.108  -3.997  13.350
   45   2H2     G   4          2H2         G   4  -6.777  -2.926  12.139
   46   1H5*    U   5          1H5*        U   5  -0.876  -4.634  15.985
   47   2H5*    U   5          2H5*        U   5   0.563  -4.703  14.945
   48    H4*    U   5           H4*        U   5  -1.502  -5.378  13.729
   49    H3*    U   5           H3*        U   5  -0.036  -2.851  12.926
   50    H2*    U   5           H2*        U   5  -1.554  -2.574  11.114
   51   2HO*    U   5          2HO*        U   5  -2.798  -5.070  11.641
   52    H1*    U   5           H1*        U   5  -3.832  -3.293  12.520
   53    H3     U   5           H3         U   5  -4.362   1.161  11.789
   54    H5     U   5           H5         U   5  -1.611   0.910  14.970
   55    H6     U   5           H6         U   5  -1.370  -1.448  14.490
   56   1H5*    G   6          1H5*        G   6   2.069  -1.035  11.554
   57   2H5*    G   6          2H5*        G   6   0.418  -1.681  11.516
   58    H4*    G   6           H4*        G   6   1.546  -2.398   9.036
   59    H3*    G   6           H3*        G   6   3.177  -0.345   9.849
   60    H2*    G   6           H2*        G   6   1.342   1.169  10.303
   61   2HO*    G   6          2HO*        G   6   1.776   2.742   8.891
   62    H1*    G   6           H1*        G   6   0.176   0.335   7.652
   63    H8     G   6           H8         G   6  -0.917   0.954  11.323
   64    H1     G   6           H1         G   6  -4.346   4.090   6.971
   65   1H2     G   6          1H2         G   6  -2.227   2.593   4.648
   66   2H2     G   6          2H2         G   6  -3.582   3.661   4.935
   67   1H5*    C   7          1H5*        C   7   0.657  -1.823   7.151
   68   2H5*    C   7          2H5*        C   7   0.391  -3.509   6.670
   69    H4*    C   7           H4*        C   7   2.014  -2.799   4.657
   70    H3*    C   7           H3*        C   7   1.934  -0.339   5.850
   71    H2*    C   7           H2*        C   7  -0.448  -0.186   5.784
   72   2HO*    C   7          2HO*        C   7  -0.581   1.619   4.665
   73    H1*    C   7           H1*        C   7  -0.172  -1.124   2.901
   74   1H4     C   7          1H4         C   7  -6.541  -1.828   2.910
   75   2H4     C   7          2H4         C   7  -6.605  -0.421   3.949
   76    H5     C   7           H5         C   7  -4.651   0.587   4.925
   77    H6     C   7           H6         C   7  -2.221   0.449   5.151
   78   1H5*    U   8          1H5*        U   8   1.697   0.061   1.416
   79   2H5*    U   8          2H5*        U   8   2.753   1.214   0.576
   80    H4*    U   8           H4*        U   8   0.302   1.274  -0.107
   81    H3*    U   8           H3*        U   8   1.817   3.700   0.915
   82    H2*    U   8           H2*        U   8  -0.127   5.033   0.576
   83   2HO*    U   8          2HO*        U   8  -0.653   3.149  -1.308
   84    H1*    U   8           H1*        U   8  -1.930   3.280   1.628
   85    H3     U   8           H3         U   8  -1.085   6.934   4.359
   86    H5     U   8           H5         U   8   1.609   3.918   5.531
   87    H6     U   8           H6         U   8   0.940   2.649   3.579
   88   1H5*    U   9          1H5*        U   9   0.067   5.279  -2.161
   89   2H5*    U   9          2H5*        U   9   1.093   6.335  -3.153
   90    H4*    U   9           H4*        U   9  -0.673   7.664  -2.121
   91    H3*    U   9           H3*        U   9   2.148   8.058  -1.083
   92    H2*    U   9           H2*        U   9   1.370   9.720   0.390
   93   2HO*    U   9          2HO*        U   9   0.071  10.936  -0.970
   94    H1*    U   9           H1*        U   9  -0.993   8.490   1.127
   95    H3     U   9           H3         U   9   1.847   8.738   4.720
   96    H5     U   9           H5         U   9   3.106   5.377   2.516
   97    H6     U   9           H6         U   9   1.615   6.090   0.729
   98   1H5*    C  10          1H5*        C  10   5.014  10.853  -2.542
   99   2H5*    C  10          2H5*        C  10   5.136  10.157  -0.913
  100    H4*    C  10           H4*        C  10   2.951  12.038  -1.899
  101    H3*    C  10           H3*        C  10   5.468  12.401  -0.257
  102    H2*    C  10           H2*        C  10   4.348  13.899   1.187
  103   2HO*    C  10          2HO*        C  10   2.335  13.974  -0.839
  104    H1*    C  10           H1*        C  10   1.970  12.556   1.379
  105   1H4     C  10          1H4         C  10   6.068  10.991   6.131
  106   2H4     C  10          2H4         C  10   5.890   9.345   5.579
  107    H5     C  10           H5         C  10   4.860   8.782   3.446
  108    H6     C  10           H6         C  10   3.561   9.661   1.571
  109   1H5*    A  11          1H5*        A  11   5.680  16.878  -1.490
  110   2H5*    A  11          2H5*        A  11   7.413  16.980  -1.121
  111    H4*    A  11           H4*        A  11   5.596  18.097   0.475
  112    H3*    A  11           H3*        A  11   8.113  16.574   1.253
  113    H2*    A  11           H2*        A  11   7.633  17.074   3.531
  114   2HO*    A  11          2HO*        A  11   6.866  19.268   3.081
  115    H1*    A  11           H1*        A  11   5.003  16.379   3.410
  116    H8     A  11           H8         A  11   6.357  13.872   1.135
  117   1H6     A  11          1H6         A  11   8.441  10.788   4.205
  118   2H6     A  11          2H6         A  11   8.837  10.878   5.907
  119    H2     A  11           H2         A  11   7.561  14.938   7.336
  120   1H5*    A  12          1H5*        A  12   8.582  20.264   2.982
  121   2H5*    A  12          2H5*        A  12  10.198  21.000   2.963
  122    H4*    A  12           H4*        A  12   9.496  20.536   5.272
  123    H3*    A  12           H3*        A  12  11.748  18.837   4.130
  124    H2*    A  12           H2*        A  12  11.960  17.800   6.253
  125   2HO*    A  12          2HO*        A  12  10.552  20.091   7.185
  126    H1*    A  12           H1*        A  12   9.259  17.738   6.880
  127    H8     A  12           H8         A  12   9.534  16.440   3.424
  128   1H6     A  12          1H6         A  12  11.077  11.933   4.276
  129   2H6     A  12          2H6         A  12  11.685  11.132   5.708
  130    H2     A  12           H2         A  12  11.683  14.173   9.011
  131   1H5*    C  13          1H5*        C  13  13.224  21.348   7.901
  132   2H5*    C  13          2H5*        C  13  14.925  21.673   7.512
  133    H4*    C  13           H4*        C  13  14.661  20.750   9.801
  134    H3*    C  13           H3*        C  13  16.179  19.205   7.686
  135    H2*    C  13           H2*        C  13  16.564  17.417   9.218
  136   2HO*    C  13          2HO*        C  13  15.546  18.205  11.523
  137    H1*    C  13           H1*        C  13  14.101  17.378  10.405
  138   1H4     C  13          1H4         C  13  14.102  13.061   5.686
  139   2H4     C  13          2H4         C  13  13.723  14.319   4.531
  140    H5     C  13           H5         C  13  13.603  16.651   5.109
  141    H6     C  13           H6         C  13  13.807  18.284   6.916
  142   1H5*    A  14          1H5*        A  14  19.522  18.711  10.442
  143   2H5*    A  14          2H5*        A  14  20.791  18.554   9.210
  144    H4*    A  14           H4*        A  14  19.681  16.435  10.545
  145    H3*    A  14           H3*        A  14  20.800  16.609   7.699
  146    H2*    A  14           H2*        A  14  20.264  14.334   7.426
  147   2HO*    A  14          2HO*        A  14  21.212  13.319   9.094
  148    H1*    A  14           H1*        A  14  18.067  14.305   9.223
  149    H8     A  14           H8         A  14  16.788  16.612   6.890
  150   1H6     A  14          1H6         A  14  16.636  12.406   2.401
  151   2H6     A  14          2H6         A  14  16.079  13.984   2.906
  152    H2     A  14           H2         A  14  19.215  10.809   5.720
  153   1H5*    G  15          1H5*        G  15  24.392  14.596   6.344
  154   2H5*    G  15          2H5*        G  15  23.628  15.682   5.165
  155    H4*    G  15           H4*        G  15  22.278  13.302   6.489
  156    H3*    G  15           H3*        G  15  24.130  13.146   4.444
  157    H2*    G  15           H2*        G  15  22.972  14.481   2.890
  158   2HO*    G  15          2HO*        G  15  23.009  12.685   1.681
  159    H1*    G  15           H1*        G  15  20.331  13.292   3.726
  160    H8     G  15           H8         G  15  21.277  14.682   1.066
  161    H1     G  15           H1         G  15  18.341  19.597   3.861
  162   1H2     G  15          1H2         G  15  18.093  19.188   6.026
  163   2H2     G  15          2H2         G  15  18.644  17.704   6.771
  164   1H5*    U  16          1H5*        U  16  21.563  10.038   6.078
  165   2H5*    U  16          2H5*        U  16  22.458   8.536   6.385
  166    H4*    U  16           H4*        U  16  20.207   7.860   6.443
  167    H3*    U  16           H3*        U  16  21.786   6.800   4.439
  168    H2*    U  16           H2*        U  16  21.008   8.216   2.684
  169   2HO*    U  16          2HO*        U  16  18.768   6.682   2.321
  170    H1*    U  16           H1*        U  16  18.179   8.014   3.731
  171    H3     U  16           H3         U  16  16.650  10.913   0.688
  172    H5     U  16           H5         U  16  20.561  12.313   1.390
  173    H6     U  16           H6         U  16  20.867  10.488   2.956
  174   1H5*    G  17          1H5*        G  17  21.823   5.937   8.289
  175   2H5*    G  17          2H5*        G  17  20.783   4.656   8.939
  176    H4*    G  17           H4*        G  17  21.130   6.757  10.407
  177    H3*    G  17           H3*        G  17  19.040   4.987  10.192
  178    H2*    G  17           H2*        G  17  17.317   6.327   9.319
  179   2HO*    G  17          2HO*        G  17  17.784   7.390  11.896
  180    H1*    G  17           H1*        G  17  18.461   8.944  10.166
  181    H8     G  17           H8         G  17  18.147   6.917   6.859
  182    H1     G  17           H1         G  17  15.014  12.466   6.994
  183   1H2     G  17          1H2         G  17  16.284  12.741  10.228
  184   2H2     G  17          2H2         G  17  15.313  13.453   8.960
  185   1H5*    C  18          1H5*        C  18  16.748   3.312  13.051
  186   2H5*    C  18          2H5*        C  18  16.950   2.542  11.464
  187    H4*    C  18           H4*        C  18  16.238   5.475  11.865
  188    H3*    C  18           H3*        C  18  14.464   3.545  12.481
  189    H2*    C  18           H2*        C  18  14.733   2.190  10.530
  190   2HO*    C  18          2HO*        C  18  12.501   3.317  10.717
  191    H1*    C  18           H1*        C  18  14.727   4.520   8.644
  192   1H4     C  18          1H4         C  18  18.723  -0.008   6.007
  193   2H4     C  18          2H4         C  18  17.153  -0.713   5.695
  194    H5     C  18           H5         C  18  19.042   1.945   7.377
  195    H6     C  18           H6         C  18  17.930   3.651   8.741
  196   1H5*    U  19          1H5*        U  19  14.907   6.837  12.294
  197   2H5*    U  19          2H5*        U  19  15.259   6.946  14.028
  198    H4*    U  19           H4*        U  19  14.814   9.165  14.069
  199    H3*    U  19           H3*        U  19  12.316   8.377  12.529
  200    H2*    U  19           H2*        U  19  12.045  10.595  11.808
  201   2HO*    U  19          2HO*        U  19  14.072  11.545  13.554
  202    H1*    U  19           H1*        U  19  14.745  11.223  11.472
  203    H3     U  19           H3         U  19  11.953  11.219   7.669
  204    H5     U  19           H5         U  19  14.246   7.679   7.689
  205    H6     U  19           H6         U  19  14.858   8.169   9.984
  206   1H5*    U  20          1H5*        U  20  10.673  11.460  15.604
  207   2H5*    U  20          2H5*        U  20   8.960  11.016  15.739
  208    H4*    U  20           H4*        U  20   9.521  13.352  14.776
  209    H3*    U  20           H3*        U  20   7.675  11.330  13.446
  210    H2*    U  20           H2*        U  20   7.219  12.928  11.763
  211   2HO*    U  20          2HO*        U  20   7.292  15.050  12.119
  212    H1*    U  20           H1*        U  20   9.793  13.994  11.601
  213    H3     U  20           H3         U  20   8.780  12.094   7.578
  214    H5     U  20           H5         U  20   9.818   8.858  10.067
  215    H6     U  20           H6         U  20   9.861  10.397  11.942
  216   1H5*    G  21          1H5*        G  21   4.592  14.503  15.297
  217   2H5*    G  21          2H5*        G  21   3.041  13.646  15.210
  218    H4*    G  21           H4*        G  21   3.380  15.768  13.734
  219    H3*    G  21           H3*        G  21   2.300  13.092  12.772
  220    H2*    G  21           H2*        G  21   1.928  14.102  10.629
  221   2HO*    G  21          2HO*        G  21   1.878  16.400  12.151
  222    H1*    G  21           H1*        G  21   4.316  15.375  10.477
  223    H8     G  21           H8         G  21   5.050  12.093  12.110
  224    H1     G  21           H1         G  21   3.619  11.404   5.933
  225   1H2     G  21          1H2         G  21   2.700  14.759   6.089
  226   2H2     G  21          2H2         G  21   2.865  13.318   5.109
  227   1H5*    G  22          1H5*        G  22  -2.510  12.804  13.010
  228   2H5*    G  22          2H5*        G  22  -0.799  12.468  12.675
  229    H4*    G  22           H4*        G  22  -1.934  15.127  11.834
  230    H3*    G  22           H3*        G  22  -2.538  12.429  10.591
  231    H2*    G  22           H2*        G  22  -2.325  13.367   8.439
  232   2HO*    G  22          2HO*        G  22  -3.011  15.358   8.186
  233    H1*    G  22           H1*        G  22  -0.022  14.793   8.953
  234    H8     G  22           H8         G  22   1.198  12.050  10.732
  235    H1     G  22           H1         G  22  -0.232  10.009   4.864
  236   1H2     G  22          1H2         G  22  -2.136  12.921   4.642
  237   2H2     G  22          2H2         G  22  -1.585  11.453   3.863
  238   1H5*    A  23          1H5*        A  23  -6.355  14.418   9.319
  239   2H5*    A  23          2H5*        A  23  -7.566  13.122   9.268
  240    H4*    A  23           H4*        A  23  -6.667  14.029   7.013
  241    H3*    A  23           H3*        A  23  -6.867  11.110   7.813
  242    H2*    A  23           H2*        A  23  -5.979  10.464   5.717
  243   2HO*    A  23          2HO*        A  23  -7.275  11.899   4.452
  244    H1*    A  23           H1*        A  23  -4.067  12.430   5.497
  245    H8     A  23           H8         A  23  -3.393  11.613   8.912
  246   1H6     A  23          1H6         A  23  -1.378   7.241   8.569
  247   2H6     A  23          2H6         A  23  -1.281   6.068   7.275
  248    H2     A  23           H2         A  23  -3.503   7.808   3.774
  249   1H5*    C  24          1H5*        C  24  -9.393  10.449   4.227
  250   2H5*    C  24          2H5*        C  24 -10.518   9.246   4.888
  251    H4*    C  24           H4*        C  24  -8.861   8.439   3.088
  252    H3*    C  24           H3*        C  24  -9.275   7.119   5.792
  253    H2*    C  24           H2*        C  24  -7.673   5.476   5.235
  254   2HO*    C  24          2HO*        C  24  -7.965   6.391   2.539
  255    H1*    C  24           H1*        C  24  -5.901   7.112   3.875
  256   1H4     C  24          1H4         C  24  -4.557   7.497  10.348
  257   2H4     C  24          2H4         C  24  -3.775   6.024   9.820
  258    H5     C  24           H5         C  24  -5.972   8.827   8.915
  259    H6     C  24           H6         C  24  -6.991   8.993   6.695
  260   1H5*    G  25          1H5*        G  25 -11.849   3.439   6.138
  261   2H5*    G  25          2H5*        G  25 -10.460   4.545   6.109
  262    H4*    G  25           H4*        G  25 -10.663   2.764   3.746
  263    H3*    G  25           H3*        G  25 -10.381   1.665   6.570
  264    H2*    G  25           H2*        G  25  -8.732   0.146   5.775
  265   2HO*    G  25          2HO*        G  25  -8.360   0.555   3.255
  266    H1*    G  25           H1*        G  25  -7.324   1.954   4.312
  267    H8     G  25           H8         G  25  -8.136   4.184   7.015
  268    H1     G  25           H1         G  25  -4.754  -0.682   9.363
  269   1H2     G  25          1H2         G  25  -5.406  -2.213   6.295
  270   2H2     G  25          2H2         G  25  -4.643  -2.321   7.867
  271   1H5*    C  26          1H5*        C  26 -10.799  -2.979   4.502
  272   2H5*    C  26          2H5*        C  26 -11.851  -3.205   5.914
  273    H4*    C  26           H4*        C  26  -9.523  -4.526   5.626
  274    H3*    C  26           H3*        C  26 -10.932  -3.489   8.098
  275    H2*    C  26           H2*        C  26  -9.126  -4.169   9.461
  276   2HO*    C  26          2HO*        C  26  -7.500  -5.586   8.683
  277    H1*    C  26           H1*        C  26  -7.075  -3.418   7.789
  278   1H4     C  26          1H4         C  26  -9.138   2.067  10.851
  279   2H4     C  26          2H4         C  26  -8.017   1.324  11.969
  280    H5     C  26           H5         C  26  -9.850   1.017   8.802
  281    H6     C  26           H6         C  26  -9.656  -0.976   7.395
  282   1H5*    U  27          1H5*        U  27 -13.504  -5.776  10.640
  283   2H5*    U  27          2H5*        U  27 -13.208  -4.076  11.062
  284    H4*    U  27           H4*        U  27 -11.360  -6.455  11.385
  285    H3*    U  27           H3*        U  27 -12.659  -4.387  13.176
  286    H2*    U  27           H2*        U  27 -10.748  -4.317  14.567
  287   2HO*    U  27          2HO*        U  27  -9.174  -5.921  14.542
  288    H1*    U  27           H1*        U  27  -8.827  -4.413  12.627
  289    H3     U  27           H3         U  27  -9.219  -0.316  14.807
  290    H5     U  27           H5         U  27 -11.564  -0.075  11.316
  291    H6     U  27           H6         U  27 -11.249  -2.461  11.017
  292   1H5*    C  28          1H5*        C  28 -10.468  -7.194  15.555
  293   2H5*    C  28          2H5*        C  28 -11.694  -8.168  16.393
  294    H4*    C  28           H4*        C  28  -9.902  -7.734  17.953
  295    H3*    C  28           H3*        C  28 -12.481  -6.210  18.382
  296    H2*    C  28           H2*        C  28 -11.563  -5.042  20.206
  297   2HO*    C  28          2HO*        C  28 -10.186  -7.369  20.513
  298    H1*    C  28           H1*        C  28  -8.963  -4.772  19.280
  299   1H4     C  28          1H4         C  28 -12.585   0.234  16.890
  300   2H4     C  28          2H4         C  28 -11.874   0.832  18.373
  301    H5     C  28           H5         C  28 -12.364  -2.045  16.147
  302    H6     C  28           H6         C  28 -11.417  -4.244  16.660
  303   1H5*    C  29          1H5*        C  29 -14.913  -6.926  22.315
  304   2H5*    C  29          2H5*        C  29 -14.283  -5.788  21.107
  305    H4*    C  29           H4*        C  29 -12.957  -6.115  23.812
  306    H3*    C  29           H3*        C  29 -15.420  -4.537  23.045
  307    H2*    C  29           H2*        C  29 -14.688  -2.670  24.239
  308   2HO*    C  29          2HO*        C  29 -12.562  -4.134  25.429
  309    H1*    C  29           H1*        C  29 -11.988  -2.877  23.669
  310   1H4     C  29          1H4         C  29 -14.799   0.321  18.614
  311   2H4     C  29          2H4         C  29 -14.555   1.553  19.832
  312    H5     C  29           H5         C  29 -14.404  -2.022  19.010
  313    H6     C  29           H6         C  29 -13.687  -3.688  20.652
  314    H3T    C  29           H3T        C  29 -16.114  -5.505  24.794
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -14.782   9.170  18.462
    2   2H5*    G   1          2H5*        G   1 -15.553  10.680  18.986
    3    H4*    G   1           H4*        G   1 -14.292  10.691  21.052
    4    H3*    G   1           H3*        G   1 -12.686   8.515  19.678
    5    H2*    G   1           H2*        G   1 -12.405   7.376  21.744
    6   2HO*    G   1          2HO*        G   1 -12.101   8.556  23.468
    7    H1*    G   1           H1*        G   1 -14.929   7.695  22.719
    8    H8     G   1           H8         G   1 -15.469   7.079  19.110
    9    H1     G   1           H1         G   1 -13.515   1.787  22.070
   10   1H2     G   1          1H2         G   1 -12.724   3.921  24.711
   11   2H2     G   1          2H2         G   1 -12.749   2.285  24.092
   12    H5T    G   1           H5T        G   1 -13.146  11.356  19.058
   13   1H5*    G   2          1H5*        G   2  -9.078   9.338  22.624
   14   2H5*    G   2          2H5*        G   2  -7.979   8.583  21.454
   15    H4*    G   2           H4*        G   2  -8.738   7.408  23.790
   16    H3*    G   2           H3*        G   2  -7.904   6.250  21.115
   17    H2*    G   2           H2*        G   2  -8.352   4.069  21.915
   18   2HO*    G   2          2HO*        G   2  -8.659   3.653  24.152
   19    H1*    G   2           H1*        G   2 -10.637   4.635  23.338
   20    H8     G   2           H8         G   2 -11.358   6.482  20.303
   21    H1     G   2           H1         G   2 -10.985   0.260  18.970
   22   1H2     G   2          1H2         G   2  -9.501  -0.013  22.112
   23   2H2     G   2          2H2         G   2 -10.037  -0.824  20.658
   24   1H5*    A   3          1H5*        A   3  -6.410   4.296  23.749
   25   2H5*    A   3          2H5*        A   3  -5.094   4.325  24.938
   26    H4*    A   3           H4*        A   3  -4.652   2.170  24.481
   27    H3*    A   3           H3*        A   3  -4.119   3.314  21.721
   28    H2*    A   3           H2*        A   3  -4.064   1.123  20.827
   29   2HO*    A   3          2HO*        A   3  -2.918  -0.162  22.106
   30    H1*    A   3           H1*        A   3  -6.142   0.066  22.291
   31    H8     A   3           H8         A   3  -6.595   3.625  20.922
   32   1H6     A   3          1H6         A   3  -8.735   2.513  16.735
   33   2H6     A   3          2H6         A   3  -9.053   0.996  15.924
   34    H2     A   3           H2         A   3  -7.443  -2.262  18.563
   35   1H5*    G   4          1H5*        G   4   0.329   0.731  20.216
   36   2H5*    G   4          2H5*        G   4  -1.081   1.659  19.664
   37    H4*    G   4           H4*        G   4  -1.089  -1.278  20.472
   38    H3*    G   4           H3*        G   4  -1.026   0.165  17.802
   39    H2*    G   4           H2*        G   4  -2.445  -1.485  16.881
   40   2HO*    G   4          2HO*        G   4  -3.002  -3.217  18.750
   41    H1*    G   4           H1*        G   4  -4.208  -1.608  18.988
   42    H8     G   4           H8         G   4  -3.583   1.968  18.988
   43    H1     G   4           H1         G   4  -6.707   0.282  13.697
   44   1H2     G   4          1H2         G   4  -5.804  -2.970  14.573
   45   2H2     G   4          2H2         G   4  -6.632  -1.922  13.442
   46   1H5*    U   5          1H5*        U   5  -0.243  -3.425  16.662
   47   2H5*    U   5          2H5*        U   5   1.105  -3.714  15.543
   48    H4*    U   5           H4*        U   5  -0.988  -4.302  14.438
   49    H3*    U   5           H3*        U   5   0.378  -1.759  13.495
   50    H2*    U   5           H2*        U   5  -1.315  -1.470  11.862
   51   2HO*    U   5          2HO*        U   5  -2.759  -3.163  11.322
   52    H1*    U   5           H1*        U   5  -3.449  -2.289  13.454
   53    H3     U   5           H3         U   5  -4.243   2.126  12.822
   54    H5     U   5           H5         U   5  -1.163   1.995  15.693
   55    H6     U   5           H6         U   5  -0.886  -0.359  15.193
   56   1H5*    G   6          1H5*        G   6   3.609  -1.285  11.946
   57   2H5*    G   6          2H5*        G   6   1.858  -1.404  12.206
   58    H4*    G   6           H4*        G   6   2.607  -2.183   9.491
   59    H3*    G   6           H3*        G   6   4.273  -0.158  10.348
   60    H2*    G   6           H2*        G   6   2.495   1.320  11.019
   61   2HO*    G   6          2HO*        G   6   3.856   2.062   8.997
   62    H1*    G   6           H1*        G   6   1.026   0.608   8.494
   63    H8     G   6           H8         G   6   0.338   0.846  12.308
   64    H1     G   6           H1         G   6  -3.365   4.583   8.714
   65   1H2     G   6          1H2         G   6  -1.585   3.257   6.029
   66   2H2     G   6          2H2         G   6  -2.846   4.340   6.573
   67   1H5*    C   7          1H5*        C   7   6.386  -0.374   5.570
   68   2H5*    C   7          2H5*        C   7   7.163   0.957   6.452
   69    H4*    C   7           H4*        C   7   4.238   0.641   5.724
   70    H3*    C   7           H3*        C   7   6.300   1.962   4.426
   71    H2*    C   7           H2*        C   7   6.710   3.575   6.077
   72   2HO*    C   7          2HO*        C   7   5.911   4.753   4.228
   73    H1*    C   7           H1*        C   7   3.844   3.829   6.924
   74   1H4     C   7          1H4         C   7   7.831   6.741  11.111
   75   2H4     C   7          2H4         C   7   8.145   5.167  11.807
   76    H5     C   7           H5         C   7   7.295   3.117  10.869
   77    H6     C   7           H6         C   7   5.926   2.137   9.075
   78   1H5*    U   8          1H5*        U   8   2.563   1.191   3.589
   79   2H5*    U   8          2H5*        U   8   2.564  -0.118   2.393
   80    H4*    U   8           H4*        U   8   0.812   0.776   1.207
   81    H3*    U   8           H3*        U   8   2.053   3.448   1.909
   82    H2*    U   8           H2*        U   8  -0.029   4.529   1.692
   83   2HO*    U   8          2HO*        U   8  -0.665   2.241   0.176
   84    H1*    U   8           H1*        U   8  -1.573   2.644   2.935
   85    H3     U   8           H3         U   8  -0.978   6.552   5.386
   86    H5     U   8           H5         U   8   1.964   3.835   6.681
   87    H6     U   8           H6         U   8   1.391   2.410   4.814
   88   1H5*    U   9          1H5*        U   9  -0.443   5.076  -1.458
   89   2H5*    U   9          2H5*        U   9   0.814   6.107  -2.173
   90    H4*    U   9           H4*        U   9  -1.205   7.327  -1.201
   91    H3*    U   9           H3*        U   9   1.669   7.895  -0.459
   92    H2*    U   9           H2*        U   9   1.009   9.507   1.113
   93   2HO*    U   9          2HO*        U   9  -0.552  10.829   0.590
   94    H1*    U   9           H1*        U   9  -1.300   8.285   2.045
   95    H3     U   9           H3         U   9   1.699   8.605   5.477
   96    H5     U   9           H5         U   9   2.939   5.272   3.223
   97    H6     U   9           H6         U   9   1.331   5.926   1.516
   98   1H5*    C  10          1H5*        C  10   1.932  13.125  -1.846
   99   2H5*    C  10          2H5*        C  10   2.872  12.127  -0.717
  100    H4*    C  10           H4*        C  10   0.505  13.930  -0.091
  101    H3*    C  10           H3*        C  10   3.466  13.902   0.526
  102    H2*    C  10           H2*        C  10   3.101  14.502   2.740
  103   2HO*    C  10          2HO*        C  10   1.935  16.432   1.965
  104    H1*    C  10           H1*        C  10   0.384  13.634   2.974
  105   1H4     C  10          1H4         C  10   3.529  10.334   7.355
  106   2H4     C  10          2H4         C  10   4.178   9.259   6.152
  107    H5     C  10           H5         C  10   3.740   9.560   3.763
  108    H6     C  10           H6         C  10   2.745  11.052   2.090
  109   1H5*    A  11          1H5*        A  11   5.563  18.203   1.185
  110   2H5*    A  11          2H5*        A  11   5.512  16.493   1.660
  111    H4*    A  11           H4*        A  11   4.401  18.838   3.260
  112    H3*    A  11           H3*        A  11   6.874  17.082   3.497
  113    H2*    A  11           H2*        A  11   6.736  17.300   5.855
  114   2HO*    A  11          2HO*        A  11   5.029  18.675   6.769
  115    H1*    A  11           H1*        A  11   4.062  16.772   6.012
  116    H8     A  11           H8         A  11   4.852  14.501   3.292
  117   1H6     A  11          1H6         A  11   7.156  10.942   5.576
  118   2H6     A  11          2H6         A  11   7.849  10.797   7.175
  119    H2     A  11           H2         A  11   7.164  14.718   9.254
  120   1H5*    A  12          1H5*        A  12   7.947  20.424   5.655
  121   2H5*    A  12          2H5*        A  12   9.618  20.984   5.436
  122    H4*    A  12           H4*        A  12   9.242  20.259   7.756
  123    H3*    A  12           H3*        A  12  11.068  18.543   6.028
  124    H2*    A  12           H2*        A  12  11.518  17.211   7.952
  125   2HO*    A  12          2HO*        A  12  11.777  18.306   9.747
  126    H1*    A  12           H1*        A  12   8.950  17.183   8.936
  127    H8     A  12           H8         A  12   8.541  16.624   5.310
  128   1H6     A  12          1H6         A  12   9.807  11.970   4.956
  129   2H6     A  12          2H6         A  12  10.580  10.856   6.062
  130    H2     A  12           H2         A  12  11.398  13.129   9.850
  131   1H5*    C  13          1H5*        C  13  13.504  20.003   9.721
  132   2H5*    C  13          2H5*        C  13  15.137  20.235   9.064
  133    H4*    C  13           H4*        C  13  15.096  18.757  11.078
  134    H3*    C  13           H3*        C  13  16.080  17.764   8.391
  135    H2*    C  13           H2*        C  13  16.442  15.576   9.291
  136   2HO*    C  13          2HO*        C  13  15.969  15.659  11.839
  137    H1*    C  13           H1*        C  13  14.233  15.398  10.864
  138   1H4     C  13          1H4         C  13  13.005  12.627   5.219
  139   2H4     C  13          2H4         C  13  12.540  14.180   4.563
  140    H5     C  13           H5         C  13  12.741  16.242   5.784
  141    H6     C  13           H6         C  13  13.426  17.267   7.894
  142   1H5*    A  14          1H5*        A  14  19.441  16.679  10.856
  143   2H5*    A  14          2H5*        A  14  20.854  16.577   9.786
  144    H4*    A  14           H4*        A  14  19.755  14.362  10.692
  145    H3*    A  14           H3*        A  14  20.488  14.914   7.770
  146    H2*    A  14           H2*        A  14  19.792  12.726   7.256
  147   2HO*    A  14          2HO*        A  14  19.851  11.061   8.739
  148    H1*    A  14           H1*        A  14  17.857  12.510   9.314
  149    H8     A  14           H8         A  14  16.915  15.400   7.247
  150   1H6     A  14          1H6         A  14  14.789  11.563   2.937
  151   2H6     A  14          2H6         A  14  14.813  13.220   3.498
  152    H2     A  14           H2         A  14  17.221   9.167   5.852
  153   1H5*    G  15          1H5*        G  15  23.197  13.680   5.125
  154   2H5*    G  15          2H5*        G  15  21.819  14.519   5.868
  155    H4*    G  15           H4*        G  15  20.350  12.742   5.427
  156    H3*    G  15           H3*        G  15  22.334  11.031   6.195
  157    H2*    G  15           H2*        G  15  23.634  10.902   4.275
  158   2HO*    G  15          2HO*        G  15  21.521   9.471   3.066
  159    H1*    G  15           H1*        G  15  21.537  11.297   2.243
  160    H8     G  15           H8         G  15  24.669  10.782   2.281
  161    H1     G  15           H1         G  15  24.567  16.991   0.860
  162   1H2     G  15          1H2         G  15  22.588  17.851   1.379
  163   2H2     G  15          2H2         G  15  21.296  16.891   2.066
  164   1H5*    U  16          1H5*        U  16  20.362   6.826   4.442
  165   2H5*    U  16          2H5*        U  16  20.062   8.420   3.720
  166    H4*    U  16           H4*        U  16  17.983   6.270   4.271
  167    H3*    U  16           H3*        U  16  19.738   6.451   2.109
  168    H2*    U  16           H2*        U  16  18.927   8.395   1.102
  169   2HO*    U  16          2HO*        U  16  16.831   6.570   0.440
  170    H1*    U  16           H1*        U  16  16.092   8.015   1.960
  171    H3     U  16           H3         U  16  15.398  12.178   0.438
  172    H5     U  16           H5         U  16  18.999  12.562   2.591
  173    H6     U  16           H6         U  16  18.923  10.177   3.020
  174   1H5*    G  17          1H5*        G  17  17.099   2.719   4.723
  175   2H5*    G  17          2H5*        G  17  16.536   4.324   4.225
  176    H4*    G  17           H4*        G  17  18.385   3.957   6.608
  177    H3*    G  17           H3*        G  17  15.955   2.775   6.488
  178    H2*    G  17           H2*        G  17  14.420   4.564   6.593
  179   2HO*    G  17          2HO*        G  17  14.984   5.708   8.869
  180    H1*    G  17           H1*        G  17  16.192   6.601   7.763
  181    H8     G  17           H8         G  17  15.123   5.682   4.144
  182    H1     G  17           H1         G  17  13.018  11.310   6.267
  183   1H2     G  17          1H2         G  17  14.704  10.487   9.204
  184   2H2     G  17          2H2         G  17  13.722  11.650   8.341
  185   1H5*    C  18          1H5*        C  18  13.465   1.001   9.112
  186   2H5*    C  18          2H5*        C  18  14.182   1.975   7.811
  187    H4*    C  18           H4*        C  18  13.480   3.874   9.718
  188    H3*    C  18           H3*        C  18  12.034   1.714  10.593
  189    H2*    C  18           H2*        C  18  10.839   1.278   8.587
  190   2HO*    C  18          2HO*        C  18   9.439   2.297  10.439
  191    H1*    C  18           H1*        C  18  10.420   4.204   8.022
  192   1H4     C  18          1H4         C  18  10.448   0.927   2.277
  193   2H4     C  18          2H4         C  18   8.752   1.073   2.680
  194    H5     C  18           H5         C  18  12.220   1.593   3.765
  195    H6     C  18           H6         C  18  12.756   2.542   5.959
  196   1H5*    U  19          1H5*        U  19  13.126   4.595  11.404
  197   2H5*    U  19          2H5*        U  19  14.142   4.412  12.844
  198    H4*    U  19           H4*        U  19  13.936   6.620  13.427
  199    H3*    U  19           H3*        U  19  11.100   6.377  12.366
  200    H2*    U  19           H2*        U  19  11.025   8.688  12.047
  201   2HO*    U  19          2HO*        U  19  12.398  10.126  13.114
  202    H1*    U  19           H1*        U  19  13.714   9.062  11.332
  203    H3     U  19           H3         U  19  10.867  10.532   8.033
  204    H5     U  19           H5         U  19  11.270   6.384   7.416
  205    H6     U  19           H6         U  19  12.467   6.252   9.523
  206   1H5*    U  20          1H5*        U  20  11.449   9.522  16.007
  207   2H5*    U  20          2H5*        U  20   9.879   9.269  16.796
  208    H4*    U  20           H4*        U  20  10.338  11.674  16.438
  209    H3*    U  20           H3*        U  20   8.052  10.370  14.917
  210    H2*    U  20           H2*        U  20   7.499  12.494  14.002
  211   2HO*    U  20          2HO*        U  20   9.093  13.454  16.139
  212    H1*    U  20           H1*        U  20  10.064  13.307  13.462
  213    H3     U  20           H3         U  20   8.198  12.432   9.413
  214    H5     U  20           H5         U  20   9.038   8.629  11.015
  215    H6     U  20           H6         U  20   9.622   9.710  13.104
  216   1H5*    G  21          1H5*        G  21   6.105  13.681  16.765
  217   2H5*    G  21          2H5*        G  21   4.451  13.203  17.195
  218    H4*    G  21           H4*        G  21   4.554  15.033  15.479
  219    H3*    G  21           H3*        G  21   3.321  12.349  14.738
  220    H2*    G  21           H2*        G  21   2.689  13.324  12.661
  221   2HO*    G  21          2HO*        G  21   3.183  15.835  13.945
  222    H1*    G  21           H1*        G  21   4.979  14.933  12.384
  223    H8     G  21           H8         G  21   6.100  11.478  13.133
  224    H1     G  21           H1         G  21   4.043  12.050   7.132
  225   1H2     G  21          1H2         G  21   2.677  15.067   8.187
  226   2H2     G  21          2H2         G  21   2.906  13.930   6.875
  227   1H5*    G  22          1H5*        G  22  -1.796  13.517  13.954
  228   2H5*    G  22          2H5*        G  22  -0.468  12.602  13.212
  229    H4*    G  22           H4*        G  22  -1.306  15.413  12.389
  230    H3*    G  22           H3*        G  22  -2.017  12.651  11.351
  231    H2*    G  22           H2*        G  22  -2.009  13.500   9.144
  232   2HO*    G  22          2HO*        G  22  -1.315  16.094   9.543
  233    H1*    G  22           H1*        G  22   0.336  14.905   9.372
  234    H8     G  22           H8         G  22   1.583  12.165  11.237
  235    H1     G  22           H1         G  22  -0.299   9.944   5.569
  236   1H2     G  22          1H2         G  22  -2.002  12.971   5.285
  237   2H2     G  22          2H2         G  22  -1.599  11.431   4.560
  238   1H5*    A  23          1H5*        A  23  -5.758  14.651  10.134
  239   2H5*    A  23          2H5*        A  23  -7.064  13.457  10.282
  240    H4*    A  23           H4*        A  23  -6.388  14.084   7.900
  241    H3*    A  23           H3*        A  23  -6.436  11.236   8.954
  242    H2*    A  23           H2*        A  23  -5.789  10.445   6.812
  243   2HO*    A  23          2HO*        A  23  -5.587  12.333   5.134
  244    H1*    A  23           H1*        A  23  -3.905  12.362   6.281
  245    H8     A  23           H8         A  23  -3.058  11.806   9.743
  246   1H6     A  23          1H6         A  23  -1.004   7.445   9.607
  247   2H6     A  23          2H6         A  23  -0.927   6.196   8.385
  248    H2     A  23           H2         A  23  -3.293   7.688   4.857
  249   1H5*    C  24          1H5*        C  24  -9.094  10.468   5.727
  250   2H5*    C  24          2H5*        C  24 -10.304   9.335   6.359
  251    H4*    C  24           H4*        C  24  -8.769   8.352   4.614
  252    H3*    C  24           H3*        C  24  -8.969   7.202   7.420
  253    H2*    C  24           H2*        C  24  -7.408   5.520   6.833
  254   2HO*    C  24          2HO*        C  24  -8.269   4.865   4.864
  255    H1*    C  24           H1*        C  24  -5.742   7.066   5.276
  256   1H4     C  24          1H4         C  24  -3.966   7.925  11.592
  257   2H4     C  24          2H4         C  24  -3.181   6.438  11.108
  258    H5     C  24           H5         C  24  -5.525   9.109  10.191
  259    H6     C  24           H6         C  24  -6.718   9.094   8.055
  260   1H5*    G  25          1H5*        G  25 -12.627   3.623   7.308
  261   2H5*    G  25          2H5*        G  25 -11.161   4.486   7.816
  262    H4*    G  25           H4*        G  25 -11.281   2.806   5.286
  263    H3*    G  25           H3*        G  25 -10.670   2.004   8.159
  264    H2*    G  25           H2*        G  25  -8.987   0.539   7.339
  265   2HO*    G  25          2HO*        G  25  -9.388  -0.410   5.486
  266    H1*    G  25           H1*        G  25  -7.854   2.318   5.627
  267    H8     G  25           H8         G  25  -8.770   4.617   8.299
  268    H1     G  25           H1         G  25  -4.420   0.493  10.463
  269   1H2     G  25          1H2         G  25  -5.058  -1.261   7.519
  270   2H2     G  25          2H2         G  25  -4.156  -1.166   9.015
  271   1H5*    C  26          1H5*        C  26 -10.868  -1.534   6.523
  272   2H5*    C  26          2H5*        C  26 -12.002  -2.694   7.243
  273    H4*    C  26           H4*        C  26  -9.810  -3.681   7.352
  274    H3*    C  26           H3*        C  26 -10.894  -2.604   9.973
  275    H2*    C  26           H2*        C  26  -8.914  -3.288  11.087
  276   2HO*    C  26          2HO*        C  26  -8.062  -4.628   8.714
  277    H1*    C  26           H1*        C  26  -7.121  -2.482   9.196
  278   1H4     C  26          1H4         C  26  -9.084   2.951  12.436
  279   2H4     C  26          2H4         C  26  -7.820   2.267  13.433
  280    H5     C  26           H5         C  26  -9.932   1.872  10.457
  281    H6     C  26           H6         C  26  -9.814  -0.131   9.056
  282   1H5*    U  27          1H5*        U  27 -10.552  -6.834  10.566
  283   2H5*    U  27          2H5*        U  27 -11.744  -7.593  11.640
  284    H4*    U  27           H4*        U  27  -9.434  -7.500  12.617
  285    H3*    U  27           H3*        U  27 -11.769  -6.080  13.942
  286    H2*    U  27           H2*        U  27 -10.351  -5.322  15.655
  287   2HO*    U  27          2HO*        U  27  -8.330  -7.155  14.825
  288    H1*    U  27           H1*        U  27  -8.016  -5.019  14.128
  289    H3     U  27           H3         U  27  -8.987  -0.973  15.986
  290    H5     U  27           H5         U  27 -11.619  -1.325  12.715
  291    H6     U  27           H6         U  27 -10.913  -3.633  12.478
  292   1H5*    C  28          1H5*        C  28 -12.778  -8.662  17.872
  293   2H5*    C  28          2H5*        C  28 -13.614  -7.109  18.065
  294    H4*    C  28           H4*        C  28 -11.030  -7.967  19.118
  295    H3*    C  28           H3*        C  28 -13.051  -5.763  19.599
  296    H2*    C  28           H2*        C  28 -11.411  -4.435  20.668
  297   2HO*    C  28          2HO*        C  28 -10.302  -5.709  22.016
  298    H1*    C  28           H1*        C  28  -9.317  -4.941  18.983
  299   1H4     C  28          1H4         C  28 -13.111  -0.487  15.908
  300   2H4     C  28          2H4         C  28 -12.230   0.446  17.097
  301    H5     C  28           H5         C  28 -13.008  -2.885  15.775
  302    H6     C  28           H6         C  28 -12.087  -4.917  16.787
  303   1H5*    C  29          1H5*        C  29 -11.174  -6.335  24.356
  304   2H5*    C  29          2H5*        C  29 -12.880  -6.454  24.835
  305    H4*    C  29           H4*        C  29 -11.499  -4.646  26.009
  306    H3*    C  29           H3*        C  29 -14.083  -4.142  24.520
  307    H2*    C  29           H2*        C  29 -13.993  -1.857  25.016
  308   2HO*    C  29          2HO*        C  29 -13.515  -1.738  27.144
  309    H1*    C  29           H1*        C  29 -11.268  -1.515  24.712
  310   1H4     C  29          1H4         C  29 -14.069  -1.217  18.720
  311   2H4     C  29          2H4         C  29 -13.884   0.440  19.251
  312    H5     C  29           H5         C  29 -13.531  -3.111  20.100
  313    H6     C  29           H6         C  29 -12.758  -3.833  22.311
  314    H3T    C  29           H3T        C  29 -14.216  -5.260  26.469
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1 -14.317  11.068  20.724
    2   2H5*    G   1          2H5*        G   1 -12.593  11.099  20.297
    3    H4*    G   1           H4*        G   1 -12.897  10.364  22.628
    4    H3*    G   1           H3*        G   1 -11.863   8.377  20.577
    5    H2*    G   1           H2*        G   1 -11.708   6.712  22.287
    6   2HO*    G   1          2HO*        G   1 -10.974   8.576  23.826
    7    H1*    G   1           H1*        G   1 -14.075   7.198  23.490
    8    H8     G   1           H8         G   1 -15.067   7.689  20.016
    9    H1     G   1           H1         G   1 -13.264   1.644  20.892
   10   1H2     G   1          1H2         G   1 -12.287   1.407  22.796
   11   2H2     G   1          2H2         G   1 -12.065   2.697  23.942
   12    H5T    G   1           H5T        G   1 -12.890   9.533  18.919
   13   1H5*    G   2          1H5*        G   2  -8.932   8.783  23.957
   14   2H5*    G   2          2H5*        G   2  -7.272   8.483  23.404
   15    H4*    G   2           H4*        G   2  -8.048   6.970  25.274
   16    H3*    G   2           H3*        G   2  -7.078   5.923  22.600
   17    H2*    G   2           H2*        G   2  -7.416   3.691  23.342
   18   2HO*    G   2          2HO*        G   2  -8.149   3.496  25.697
   19    H1*    G   2           H1*        G   2  -9.817   4.066  24.572
   20    H8     G   2           H8         G   2 -10.068   6.188  21.550
   21    H1     G   2           H1         G   2 -10.218   0.000  20.038
   22   1H2     G   2          1H2         G   2  -9.167  -0.513  23.323
   23   2H2     G   2          2H2         G   2  -9.609  -1.224  21.787
   24   1H5*    A   3          1H5*        A   3  -5.684   3.114  25.248
   25   2H5*    A   3          2H5*        A   3  -3.922   3.322  25.314
   26    H4*    A   3           H4*        A   3  -4.214   0.994  25.052
   27    H3*    A   3           H3*        A   3  -3.643   2.381  22.416
   28    H2*    A   3           H2*        A   3  -3.760   0.298  21.294
   29   2HO*    A   3          2HO*        A   3  -3.634  -0.871  23.903
   30    H1*    A   3           H1*        A   3  -5.924  -0.722  22.637
   31    H8     A   3           H8         A   3  -6.079   3.017  21.790
   32   1H6     A   3          1H6         A   3  -8.194   2.691  17.468
   33   2H6     A   3          2H6         A   3  -8.620   1.339  16.442
   34    H2     A   3           H2         A   3  -7.328  -2.386  18.598
   35   1H5*    G   4          1H5*        G   4   0.410  -0.270  20.397
   36   2H5*    G   4          2H5*        G   4  -1.035   0.713  20.086
   37    H4*    G   4           H4*        G   4  -1.106  -2.275  20.665
   38    H3*    G   4           H3*        G   4  -0.924  -0.717  18.065
   39    H2*    G   4           H2*        G   4  -2.384  -2.260  17.045
   40   2HO*    G   4          2HO*        G   4  -1.292  -4.023  18.565
   41    H1*    G   4           H1*        G   4  -4.204  -2.379  19.105
   42    H8     G   4           H8         G   4  -3.314   1.161  19.223
   43    H1     G   4           H1         G   4  -6.612  -0.148  13.928
   44   1H2     G   4          1H2         G   4  -5.959  -3.481  14.721
   45   2H2     G   4          2H2         G   4  -6.713  -2.346  13.624
   46   1H5*    U   5          1H5*        U   5  -0.308  -4.300  16.875
   47   2H5*    U   5          2H5*        U   5   1.013  -4.700  15.758
   48    H4*    U   5           H4*        U   5  -1.090  -5.126  14.627
   49    H3*    U   5           H3*        U   5   0.397  -2.632  13.751
   50    H2*    U   5           H2*        U   5  -1.262  -2.256  12.093
   51   2HO*    U   5          2HO*        U   5  -1.537  -4.267  11.203
   52    H1*    U   5           H1*        U   5  -3.440  -2.973  13.665
   53    H3     U   5           H3         U   5  -3.987   1.494  13.086
   54    H5     U   5           H5         U   5  -0.926   1.157  15.960
   55    H6     U   5           H6         U   5  -0.782  -1.200  15.437
   56   1H5*    G   6          1H5*        G   6   2.492  -0.897  12.270
   57   2H5*    G   6          2H5*        G   6   0.810  -1.457  12.314
   58    H4*    G   6           H4*        G   6   1.785  -2.107   9.732
   59    H3*    G   6           H3*        G   6   3.458  -0.080  10.568
   60    H2*    G   6           H2*        G   6   1.681   1.452  11.114
   61   2HO*    G   6          2HO*        G   6   2.710   2.794   9.772
   62    H1*    G   6           H1*        G   6   0.311   0.676   8.550
   63    H8     G   6           H8         G   6  -0.466   1.184  12.325
   64    H1     G   6           H1         G   6  -4.284   4.422   8.393
   65   1H2     G   6          1H2         G   6  -2.411   2.982   5.840
   66   2H2     G   6          2H2         G   6  -3.729   4.042   6.287
   67   1H5*    C   7          1H5*        C   7   5.530  -0.712   5.714
   68   2H5*    C   7          2H5*        C   7   6.367   0.701   6.390
   69    H4*    C   7           H4*        C   7   3.444   0.372   5.697
   70    H3*    C   7           H3*        C   7   5.543   1.637   4.407
   71    H2*    C   7           H2*        C   7   5.921   3.302   6.021
   72   2HO*    C   7          2HO*        C   7   4.262   5.110   5.430
   73    H1*    C   7           H1*        C   7   3.026   3.617   6.743
   74   1H4     C   7          1H4         C   7   6.866   6.670  10.964
   75   2H4     C   7          2H4         C   7   7.133   5.124  11.737
   76    H5     C   7           H5         C   7   6.300   3.042  10.852
   77    H6     C   7           H6         C   7   4.997   2.001   9.043
   78   1H5*    U   8          1H5*        U   8   1.790   0.945   3.445
   79   2H5*    U   8          2H5*        U   8   1.784  -0.345   2.228
   80    H4*    U   8           H4*        U   8   0.069   0.599   1.037
   81    H3*    U   8           H3*        U   8   1.391   3.229   1.747
   82    H2*    U   8           H2*        U   8  -0.654   4.379   1.492
   83   2HO*    U   8          2HO*        U   8  -2.271   3.658   0.246
   84    H1*    U   8           H1*        U   8  -2.276   2.551   2.716
   85    H3     U   8           H3         U   8  -1.579   6.467   5.148
   86    H5     U   8           H5         U   8   1.154   3.605   6.580
   87    H6     U   8           H6         U   8   0.597   2.205   4.689
   88   1H5*    U   9          1H5*        U   9  -0.827   4.891  -1.794
   89   2H5*    U   9          2H5*        U   9   0.497   5.869  -2.458
   90    H4*    U   9           H4*        U   9  -1.542   7.158  -1.605
   91    H3*    U   9           H3*        U   9   1.318   7.670  -0.768
   92    H2*    U   9           H2*        U   9   0.648   9.323   0.750
   93   2HO*    U   9          2HO*        U   9  -1.646   9.469  -0.907
   94    H1*    U   9           H1*        U   9  -1.758   8.200   1.588
   95    H3     U   9           H3         U   9   1.050   8.535   5.179
   96    H5     U   9           H5         U   9   2.279   5.080   3.110
   97    H6     U   9           H6         U   9   0.802   5.741   1.290
   98   1H5*    C  10          1H5*        C  10   1.027  12.368  -2.401
   99   2H5*    C  10          2H5*        C  10   2.748  12.359  -1.967
  100    H4*    C  10           H4*        C  10   0.583  13.522  -0.522
  101    H3*    C  10           H3*        C  10   3.565  13.172  -0.131
  102    H2*    C  10           H2*        C  10   3.393  13.608   2.147
  103   2HO*    C  10          2HO*        C  10   2.435  15.663   1.851
  104    H1*    C  10           H1*        C  10   0.653  12.882   2.516
  105   1H4     C  10          1H4         C  10   4.580   8.042   4.749
  106   2H4     C  10          2H4         C  10   4.130   8.965   6.164
  107    H5     C  10           H5         C  10   3.901   8.626   2.528
  108    H6     C  10           H6         C  10   2.911  10.375   1.125
  109   1H5*    A  11          1H5*        A  11   5.902  16.432   1.535
  110   2H5*    A  11          2H5*        A  11   4.959  14.980   1.928
  111    H4*    A  11           H4*        A  11   4.264  17.573   3.293
  112    H3*    A  11           H3*        A  11   6.704  15.839   3.825
  113    H2*    A  11           H2*        A  11   6.417  16.218   6.138
  114   2HO*    A  11          2HO*        A  11   4.536  17.646   6.768
  115    H1*    A  11           H1*        A  11   3.726  15.734   6.167
  116    H8     A  11           H8         A  11   4.689  13.243   3.698
  117   1H6     A  11          1H6         A  11   6.737   9.859   6.460
  118   2H6     A  11          2H6         A  11   7.290   9.844   8.120
  119    H2     A  11           H2         A  11   6.506  13.932   9.796
  120   1H5*    A  12          1H5*        A  12   7.265  19.663   5.930
  121   2H5*    A  12          2H5*        A  12   8.922  20.255   5.698
  122    H4*    A  12           H4*        A  12   8.301  20.180   8.098
  123    H3*    A  12           H3*        A  12  10.480  18.331   7.066
  124    H2*    A  12           H2*        A  12  10.812  17.537   9.279
  125   2HO*    A  12          2HO*        A  12   9.126  19.617  10.257
  126    H1*    A  12           H1*        A  12   8.171  17.463  10.038
  127    H8     A  12           H8         A  12   8.230  16.028   6.631
  128   1H6     A  12          1H6         A  12   9.772  11.553   7.573
  129   2H6     A  12          2H6         A  12  10.480  10.805   8.988
  130    H2     A  12           H2         A  12  10.745  13.984  12.151
  131   1H5*    C  13          1H5*        C  13  12.357  21.034  10.481
  132   2H5*    C  13          2H5*        C  13  14.027  21.219   9.906
  133    H4*    C  13           H4*        C  13  13.879  20.357  12.255
  134    H3*    C  13           H3*        C  13  15.195  18.764  10.044
  135    H2*    C  13           H2*        C  13  15.657  16.978  11.569
  136   2HO*    C  13          2HO*        C  13  15.956  18.957  13.291
  137    H1*    C  13           H1*        C  13  13.289  16.999  12.920
  138   1H4     C  13          1H4         C  13  12.859  12.673   8.226
  139   2H4     C  13          2H4         C  13  12.378  13.932   7.112
  140    H5     C  13           H5         C  13  12.333  16.266   7.697
  141    H6     C  13           H6         C  13  12.720  17.897   9.475
  142   1H5*    A  14          1H5*        A  14  18.775  18.598  12.510
  143   2H5*    A  14          2H5*        A  14  19.994  18.320  11.251
  144    H4*    A  14           H4*        A  14  18.962  16.343  12.830
  145    H3*    A  14           H3*        A  14  19.943  16.252   9.934
  146    H2*    A  14           H2*        A  14  19.392  13.964   9.880
  147   2HO*    A  14          2HO*        A  14  20.134  12.847  11.513
  148    H1*    A  14           H1*        A  14  17.283  14.089  11.766
  149    H8     A  14           H8         A  14  15.784  16.165   9.409
  150   1H6     A  14          1H6         A  14  15.596  11.770   5.106
  151   2H6     A  14          2H6         A  14  14.977  13.335   5.585
  152    H2     A  14           H2         A  14  18.459  10.465   8.310
  153   1H5*    G  15          1H5*        G  15  23.707  14.301   8.379
  154   2H5*    G  15          2H5*        G  15  22.184  15.201   8.232
  155    H4*    G  15           H4*        G  15  20.898  13.206   8.150
  156    H3*    G  15           H3*        G  15  22.583  12.097   9.972
  157    H2*    G  15           H2*        G  15  24.446  11.606   8.667
  158   2HO*    G  15          2HO*        G  15  23.433   9.536   9.132
  159    H1*    G  15           H1*        G  15  23.104  10.999   6.117
  160    H8     G  15           H8         G  15  26.077  11.051   7.218
  161    H1     G  15           H1         G  15  26.053  16.422   3.790
  162   1H2     G  15          1H2         G  15  23.961  17.059   3.405
  163   2H2     G  15          2H2         G  15  22.582  16.153   3.986
  164   1H5*    U  16          1H5*        U  16  21.920   7.208   8.341
  165   2H5*    U  16          2H5*        U  16  21.575   8.847   7.752
  166    H4*    U  16           H4*        U  16  19.359   7.236   9.005
  167    H3*    U  16           H3*        U  16  20.750   6.070   6.922
  168    H2*    U  16           H2*        U  16  20.457   7.838   5.350
  169   2HO*    U  16          2HO*        U  16  19.038   7.048   3.905
  170    H1*    U  16           H1*        U  16  17.607   8.247   6.271
  171    H3     U  16           H3         U  16  17.323  11.460   3.135
  172    H5     U  16           H5         U  16  20.913  12.386   5.138
  173    H6     U  16           H6         U  16  20.637  10.355   6.435
  174   1H5*    G  17          1H5*        G  17  20.615   5.554   9.899
  175   2H5*    G  17          2H5*        G  17  20.100   4.171  10.885
  176    H4*    G  17           H4*        G  17  20.313   6.184  12.289
  177    H3*    G  17           H3*        G  17  18.158   4.484  12.246
  178    H2*    G  17           H2*        G  17  16.404   5.873  11.526
  179   2HO*    G  17          2HO*        G  17  17.128   6.931  14.045
  180    H1*    G  17           H1*        G  17  17.675   8.463  12.245
  181    H8     G  17           H8         G  17  17.134   6.411   8.990
  182    H1     G  17           H1         G  17  14.060  11.987   9.239
  183   1H2     G  17          1H2         G  17  15.504  12.291  12.395
  184   2H2     G  17          2H2         G  17  14.471  12.994  11.171
  185   1H5*    C  18          1H5*        C  18  16.175   2.782  15.219
  186   2H5*    C  18          2H5*        C  18  16.205   2.102  13.580
  187    H4*    C  18           H4*        C  18  15.742   5.050  14.155
  188    H3*    C  18           H3*        C  18  13.904   3.253  14.953
  189    H2*    C  18           H2*        C  18  13.815   1.934  12.960
  190   2HO*    C  18          2HO*        C  18  11.980   4.082  12.497
  191    H1*    C  18           H1*        C  18  13.783   4.301  11.124
  192   1H4     C  18          1H4         C  18  17.079  -0.442   7.961
  193   2H4     C  18          2H4         C  18  15.429  -0.998   7.796
  194    H5     C  18           H5         C  18  17.711   1.418   9.350
  195    H6     C  18           H6         C  18  16.903   3.161  10.871
  196   1H5*    U  19          1H5*        U  19  14.654   6.457  14.909
  197   2H5*    U  19          2H5*        U  19  15.200   6.383  16.593
  198    H4*    U  19           H4*        U  19  14.934   8.611  16.858
  199    H3*    U  19           H3*        U  19  12.192   8.073  15.688
  200    H2*    U  19           H2*        U  19  11.940  10.333  15.087
  201   2HO*    U  19          2HO*        U  19  12.987  10.857  17.330
  202    H1*    U  19           H1*        U  19  14.565  10.867  14.368
  203    H3     U  19           H3         U  19  11.321  11.089  10.969
  204    H5     U  19           H5         U  19  13.356   7.407  10.653
  205    H6     U  19           H6         U  19  14.281   7.806  12.859
  206   1H5*    U  20          1H5*        U  20   8.574   8.936  16.708
  207   2H5*    U  20          2H5*        U  20  10.136   8.903  15.870
  208    H4*    U  20           H4*        U  20   9.648  11.590  16.775
  209    H3*    U  20           H3*        U  20   7.274  10.167  15.552
  210    H2*    U  20           H2*        U  20   6.888  11.951  14.062
  211   2HO*    U  20          2HO*        U  20   7.312  13.496  15.942
  212    H1*    U  20           H1*        U  20   9.500  12.613  13.498
  213    H3     U  20           H3         U  20   7.219  10.896   9.850
  214    H5     U  20           H5         U  20   9.034   7.620  11.777
  215    H6     U  20           H6         U  20   9.576   9.092  13.626
  216   1H5*    G  21          1H5*        G  21   3.062  11.712  16.104
  217   2H5*    G  21          2H5*        G  21   4.202  11.013  14.934
  218    H4*    G  21           H4*        G  21   3.224  13.894  14.842
  219    H3*    G  21           H3*        G  21   2.151  11.346  13.590
  220    H2*    G  21           H2*        G  21   1.714  12.523  11.577
  221   2HO*    G  21          2HO*        G  21   1.575  14.657  13.281
  222    H1*    G  21           H1*        G  21   4.058  13.907  11.456
  223    H8     G  21           H8         G  21   5.261  10.710  12.766
  224    H1     G  21           H1         G  21   3.042   9.917   6.849
  225   1H2     G  21          1H2         G  21   1.939  11.653   6.205
  226   2H2     G  21          2H2         G  21   1.730  13.086   7.169
  227   1H5*    G  22          1H5*        G  22  -1.098  14.635  13.731
  228   2H5*    G  22          2H5*        G  22  -2.710  13.902  13.616
  229    H4*    G  22           H4*        G  22  -2.097  15.629  11.817
  230    H3*    G  22           H3*        G  22  -2.994  12.802  11.126
  231    H2*    G  22           H2*        G  22  -3.102  13.537   8.850
  232   2HO*    G  22          2HO*        G  22  -3.995  15.592   9.087
  233    H1*    G  22           H1*        G  22  -0.663  14.820   8.919
  234    H8     G  22           H8         G  22   0.090  11.849  10.908
  235    H1     G  22           H1         G  22  -1.110  10.213   4.869
  236   1H2     G  22          1H2         G  22  -2.334  13.461   4.550
  237   2H2     G  22          2H2         G  22  -2.012  11.924   3.782
  238   1H5*    A  23          1H5*        A  23  -6.258  14.785   9.547
  239   2H5*    A  23          2H5*        A  23  -7.730  13.797   9.636
  240    H4*    A  23           H4*        A  23  -6.735  14.014   7.318
  241    H3*    A  23           H3*        A  23  -7.095  11.302   8.655
  242    H2*    A  23           H2*        A  23  -6.370  10.286   6.635
  243   2HO*    A  23          2HO*        A  23  -6.681  11.195   4.724
  244    H1*    A  23           H1*        A  23  -4.373  12.111   6.052
  245    H8     A  23           H8         A  23  -3.679  11.549   9.562
  246   1H6     A  23          1H6         A  23  -1.789   7.106   9.512
  247   2H6     A  23          2H6         A  23  -1.707   5.856   8.291
  248    H2     A  23           H2         A  23  -3.869   7.432   4.673
  249   1H5*    C  24          1H5*        C  24  -9.741  10.466   5.396
  250   2H5*    C  24          2H5*        C  24 -10.969   9.372   6.061
  251    H4*    C  24           H4*        C  24  -9.343   8.303   4.430
  252    H3*    C  24           H3*        C  24  -9.679   7.293   7.281
  253    H2*    C  24           H2*        C  24  -8.154   5.544   6.791
  254   2HO*    C  24          2HO*        C  24  -8.834   4.758   4.858
  255    H1*    C  24           H1*        C  24  -6.418   7.019   5.219
  256   1H4     C  24          1H4         C  24  -4.782   7.827  11.590
  257   2H4     C  24          2H4         C  24  -4.030   6.317  11.122
  258    H5     C  24           H5         C  24  -6.248   9.074  10.137
  259    H6     C  24           H6         C  24  -7.373   9.102   7.962
  260   1H5*    G  25          1H5*        G  25 -11.980   3.899   8.320
  261   2H5*    G  25          2H5*        G  25 -10.713   5.071   7.907
  262    H4*    G  25           H4*        G  25 -11.127   3.154   5.742
  263    H3*    G  25           H3*        G  25 -10.650   2.091   8.551
  264    H2*    G  25           H2*        G  25  -9.078   0.543   7.666
  265   2HO*    G  25          2HO*        G  25  -9.823  -0.257   5.807
  266    H1*    G  25           H1*        G  25  -7.774   2.300   6.044
  267    H8     G  25           H8         G  25  -8.343   4.557   8.811
  268    H1     G  25           H1         G  25  -4.666  -0.267  10.772
  269   1H2     G  25          1H2         G  25  -5.631  -1.806   7.795
  270   2H2     G  25          2H2         G  25  -4.700  -1.907   9.273
  271   1H5*    C  26          1H5*        C  26 -11.220  -1.475   6.729
  272   2H5*    C  26          2H5*        C  26 -12.428  -2.469   7.567
  273    H4*    C  26           H4*        C  26 -10.265  -3.617   7.552
  274    H3*    C  26           H3*        C  26 -11.338  -2.582  10.191
  275    H2*    C  26           H2*        C  26  -9.424  -3.380  11.326
  276   2HO*    C  26          2HO*        C  26  -9.168  -5.418  10.521
  277    H1*    C  26           H1*        C  26  -7.538  -2.692   9.453
  278   1H4     C  26          1H4         C  26  -8.971   2.800  12.847
  279   2H4     C  26          2H4         C  26  -7.778   1.970  13.821
  280    H5     C  26           H5         C  26  -9.931   1.859  10.851
  281    H6     C  26           H6         C  26 -10.013  -0.108   9.396
  282   1H5*    U  27          1H5*        U  27 -14.004  -4.966  12.709
  283   2H5*    U  27          2H5*        U  27 -12.902  -3.794  11.957
  284    H4*    U  27           H4*        U  27 -11.804  -6.519  12.535
  285    H3*    U  27           H3*        U  27 -12.723  -4.559  14.654
  286    H2*    U  27           H2*        U  27 -10.704  -4.846  15.855
  287   2HO*    U  27          2HO*        U  27  -9.338  -6.583  15.536
  288    H1*    U  27           H1*        U  27  -8.978  -4.880  13.735
  289    H3     U  27           H3         U  27  -8.716  -1.054  16.370
  290    H5     U  27           H5         U  27 -11.408  -0.196  13.243
  291    H6     U  27           H6         U  27 -11.369  -2.544  12.649
  292   1H5*    C  28          1H5*        C  28 -12.242  -8.078  17.152
  293   2H5*    C  28          2H5*        C  28 -13.443  -8.006  18.458
  294    H4*    C  28           H4*        C  28 -11.019  -7.661  19.164
  295    H3*    C  28           H3*        C  28 -13.252  -5.695  19.755
  296    H2*    C  28           H2*        C  28 -11.734  -4.262  20.843
  297   2HO*    C  28          2HO*        C  28 -10.749  -6.380  21.834
  298    H1*    C  28           H1*        C  28  -9.518  -4.705  19.222
  299   1H4     C  28          1H4         C  28 -13.073   0.155  16.492
  300   2H4     C  28          2H4         C  28 -12.102   0.949  17.712
  301    H5     C  28           H5         C  28 -13.139  -2.233  16.208
  302    H6     C  28           H6         C  28 -12.329  -4.383  17.062
  303   1H5*    C  29          1H5*        C  29 -11.358  -6.476  24.132
  304   2H5*    C  29          2H5*        C  29 -12.928  -6.759  24.914
  305    H4*    C  29           H4*        C  29 -11.588  -5.020  26.085
  306    H3*    C  29           H3*        C  29 -14.206  -4.300  24.749
  307    H2*    C  29           H2*        C  29 -14.005  -2.072  25.439
  308   2HO*    C  29          2HO*        C  29 -12.468  -1.443  27.040
  309    H1*    C  29           H1*        C  29 -11.282  -1.808  25.060
  310   1H4     C  29          1H4         C  29 -14.362  -0.882  19.259
  311   2H4     C  29          2H4         C  29 -14.067   0.717  19.900
  312    H5     C  29           H5         C  29 -13.847  -2.899  20.452
  313    H6     C  29           H6         C  29 -12.986  -3.840  22.544
  314    H3T    C  29           H3T        C  29 -14.934  -4.576  26.789
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1 -12.630  10.725  22.332
    2   2H5*    G   1          2H5*        G   1 -13.720  11.588  23.436
    3    H4*    G   1           H4*        G   1 -12.322  10.473  25.336
    4    H3*    G   1           H3*        G   1 -11.400   8.956  22.873
    5    H2*    G   1           H2*        G   1 -11.555   6.903  24.078
    6   2HO*    G   1          2HO*        G   1 -11.917   8.478  26.441
    7    H1*    G   1           H1*        G   1 -13.912   7.375  25.335
    8    H8     G   1           H8         G   1 -14.577   8.848  22.045
    9    H1     G   1           H1         G   1 -14.010   2.524  21.559
   10   1H2     G   1          1H2         G   1 -13.165   1.690  23.353
   11   2H2     G   1          2H2         G   1 -12.675   2.631  24.729
   12    H5T    G   1           H5T        G   1 -10.926  11.850  23.119
   13   1H5*    G   2          1H5*        G   2  -8.660   8.027  26.332
   14   2H5*    G   2          2H5*        G   2  -7.018   7.710  25.735
   15    H4*    G   2           H4*        G   2  -8.097   5.839  27.102
   16    H3*    G   2           H3*        G   2  -6.959   5.466  24.311
   17    H2*    G   2           H2*        G   2  -7.524   3.168  24.391
   18   2HO*    G   2          2HO*        G   2  -8.091   2.146  26.368
   19    H1*    G   2           H1*        G   2  -9.951   3.415  25.669
   20    H8     G   2           H8         G   2 -10.144   6.092  23.184
   21    H1     G   2           H1         G   2 -10.146   0.408  20.308
   22   1H2     G   2          1H2         G   2  -9.098  -0.814  23.402
   23   2H2     G   2          2H2         G   2  -9.513  -1.167  21.740
   24   1H5*    A   3          1H5*        A   3  -5.861   2.060  26.209
   25   2H5*    A   3          2H5*        A   3  -4.096   2.053  26.394
   26    H4*    A   3           H4*        A   3  -4.583  -0.085  25.517
   27    H3*    A   3           H3*        A   3  -3.777   1.851  23.313
   28    H2*    A   3           H2*        A   3  -3.960   0.079  21.753
   29   2HO*    A   3          2HO*        A   3  -4.451  -1.888  23.708
   30    H1*    A   3           H1*        A   3  -6.229  -1.085  22.823
   31    H8     A   3           H8         A   3  -6.301   2.733  22.641
   32   1H6     A   3          1H6         A   3  -8.124   3.224  18.198
   33   2H6     A   3          2H6         A   3  -8.435   2.092  16.901
   34    H2     A   3           H2         A   3  -7.215  -1.967  18.393
   35   1H5*    G   4          1H5*        G   4  -0.126   0.975  20.869
   36   2H5*    G   4          2H5*        G   4  -1.445   1.879  20.099
   37    H4*    G   4           H4*        G   4  -1.578  -1.024  21.009
   38    H3*    G   4           H3*        G   4  -1.116   0.312  18.328
   39    H2*    G   4           H2*        G   4  -2.439  -1.320  17.261
   40   2HO*    G   4          2HO*        G   4  -2.606  -3.308  18.015
   41    H1*    G   4           H1*        G   4  -4.474  -1.392  19.119
   42    H8     G   4           H8         G   4  -3.948   2.161  19.177
   43    H1     G   4           H1         G   4  -6.100   0.406  13.440
   44   1H2     G   4          1H2         G   4  -5.236  -2.817  14.452
   45   2H2     G   4          2H2         G   4  -5.904  -1.793  13.201
   46   1H5*    U   5          1H5*        U   5  -0.188  -3.346  17.358
   47   2H5*    U   5          2H5*        U   5   1.304  -3.601  16.432
   48    H4*    U   5           H4*        U   5  -0.631  -4.206  15.060
   49    H3*    U   5           H3*        U   5   0.872  -1.679  14.315
   50    H2*    U   5           H2*        U   5  -0.560  -1.398  12.444
   51   2HO*    U   5          2HO*        U   5  -0.619  -3.408  11.539
   52    H1*    U   5           H1*        U   5  -2.905  -2.233  13.694
   53    H3     U   5           H3         U   5  -3.640   2.154  12.835
   54    H5     U   5           H5         U   5  -1.085   2.130  16.183
   55    H6     U   5           H6         U   5  -0.689  -0.223  15.779
   56   1H5*    G   6          1H5*        G   6   2.903   0.156  12.990
   57   2H5*    G   6          2H5*        G   6   1.288  -0.558  12.850
   58    H4*    G   6           H4*        G   6   2.596  -1.202  10.436
   59    H3*    G   6           H3*        G   6   4.050   0.939  11.383
   60    H2*    G   6           H2*        G   6   2.155   2.392  11.650
   61   2HO*    G   6          2HO*        G   6   2.118   3.409   9.256
   62    H1*    G   6           H1*        G   6   1.136   1.444   8.976
   63    H8     G   6           H8         G   6  -0.092   2.125  12.607
   64    H1     G   6           H1         G   6  -3.639   4.814   8.055
   65   1H2     G   6          1H2         G   6  -1.431   3.301   5.835
   66   2H2     G   6          2H2         G   6  -2.848   4.301   6.057
   67   1H5*    C   7          1H5*        C   7   6.378  -0.591   6.605
   68   2H5*    C   7          2H5*        C   7   7.259   0.940   6.784
   69    H4*    C   7           H4*        C   7   4.470   0.435   5.889
   70    H3*    C   7           H3*        C   7   6.686   1.668   4.800
   71    H2*    C   7           H2*        C   7   6.702   3.541   6.224
   72   2HO*    C   7          2HO*        C   7   6.200   5.130   4.872
   73    H1*    C   7           H1*        C   7   3.702   3.741   6.362
   74   1H4     C   7          1H4         C   7   6.500   7.582  10.761
   75   2H4     C   7          2H4         C   7   6.666   6.169  11.779
   76    H5     C   7           H5         C   7   6.136   3.939  11.040
   77    H6     C   7           H6         C   7   5.233   2.599   9.183
   78   1H5*    U   8          1H5*        U   8   2.758   1.480   3.538
   79   2H5*    U   8          2H5*        U   8   2.490   0.078   2.483
   80    H4*    U   8           H4*        U   8   1.055   1.273   1.050
   81    H3*    U   8           H3*        U   8   2.443   3.735   2.153
   82    H2*    U   8           H2*        U   8   0.473   5.004   1.760
   83   2HO*    U   8          2HO*        U   8  -0.652   2.743   0.421
   84    H1*    U   8           H1*        U   8  -1.307   3.180   2.720
   85    H3     U   8           H3         U   8  -0.594   6.904   5.436
   86    H5     U   8           H5         U   8   1.864   3.814   6.894
   87    H6     U   8           H6         U   8   1.386   2.559   4.878
   88   1H5*    U   9          1H5*        U   9   0.539   5.003  -1.331
   89   2H5*    U   9          2H5*        U   9   1.623   5.917  -2.399
   90    H4*    U   9           H4*        U   9  -0.336   7.278  -1.917
   91    H3*    U   9           H3*        U   9   2.299   8.103  -0.696
   92    H2*    U   9           H2*        U   9   1.281   9.910   0.419
   93   2HO*    U   9          2HO*        U   9  -0.989  10.455  -0.124
   94    H1*    U   9           H1*        U   9  -1.056   8.673   1.169
   95    H3     U   9           H3         U   9   1.398   9.479   4.939
   96    H5     U   9           H5         U   9   3.076   6.008   3.246
   97    H6     U   9           H6         U   9   1.714   6.409   1.269
   98   1H5*    C  10          1H5*        C  10   4.747  11.031  -1.350
   99   2H5*    C  10          2H5*        C  10   3.529   9.890  -0.749
  100    H4*    C  10           H4*        C  10   2.220  12.377  -1.370
  101    H3*    C  10           H3*        C  10   4.861  12.621   0.087
  102    H2*    C  10           H2*        C  10   3.888  13.996   1.740
  103   2HO*    C  10          2HO*        C  10   2.554  15.482   1.062
  104    H1*    C  10           H1*        C  10   1.420  12.781   1.916
  105   1H4     C  10          1H4         C  10   4.865  10.653   6.815
  106   2H4     C  10          2H4         C  10   5.528   9.380   5.828
  107    H5     C  10           H5         C  10   5.208   9.295   3.424
  108    H6     C  10           H6         C  10   4.151  10.388   1.507
  109   1H5*    A  11          1H5*        A  11   6.557  17.271   0.209
  110   2H5*    A  11          2H5*        A  11   6.819  15.676   0.944
  111    H4*    A  11           H4*        A  11   5.141  17.977   2.000
  112    H3*    A  11           H3*        A  11   7.574  16.408   2.935
  113    H2*    A  11           H2*        A  11   6.935  16.858   5.176
  114   2HO*    A  11          2HO*        A  11   4.744  18.159   5.239
  115    H1*    A  11           H1*        A  11   4.318  16.182   4.850
  116    H8     A  11           H8         A  11   5.762  13.738   2.589
  117   1H6     A  11          1H6         A  11   7.707  10.547   5.638
  118   2H6     A  11          2H6         A  11   8.039  10.582   7.355
  119    H2     A  11           H2         A  11   6.746  14.607   8.854
  120   1H5*    A  12          1H5*        A  12   7.885  20.113   4.659
  121   2H5*    A  12          2H5*        A  12   9.450  20.947   4.721
  122    H4*    A  12           H4*        A  12   8.736  20.554   6.994
  123    H3*    A  12           H3*        A  12  10.960  18.741   5.994
  124    H2*    A  12           H2*        A  12  11.049  17.721   8.142
  125   2HO*    A  12          2HO*        A  12  10.507  18.763   9.931
  126    H1*    A  12           H1*        A  12   8.362  17.587   8.587
  127    H8     A  12           H8         A  12   8.838  16.674   5.009
  128   1H6     A  12          1H6         A  12  10.216  12.074   5.454
  129   2H6     A  12          2H6         A  12  10.707  11.097   6.821
  130    H2     A  12           H2         A  12  10.536  13.749  10.443
  131   1H5*    C  13          1H5*        C  13  12.502  20.836   9.780
  132   2H5*    C  13          2H5*        C  13  14.225  21.128   9.469
  133    H4*    C  13           H4*        C  13  13.867  19.876  11.580
  134    H3*    C  13           H3*        C  13  15.342  18.579   9.271
  135    H2*    C  13           H2*        C  13  15.605  16.569  10.552
  136   2HO*    C  13          2HO*        C  13  15.700  18.301  12.588
  137    H1*    C  13           H1*        C  13  13.125  16.483  11.650
  138   1H4     C  13          1H4         C  13  13.074  12.973   6.301
  139   2H4     C  13          2H4         C  13  12.764  14.413   5.359
  140    H5     C  13           H5         C  13  12.722  16.622   6.301
  141    H6     C  13           H6         C  13  12.947  17.935   8.349
  142   1H5*    A  14          1H5*        A  14  19.815  17.268  12.530
  143   2H5*    A  14          2H5*        A  14  19.749  17.405  10.762
  144    H4*    A  14           H4*        A  14  18.882  15.157  12.541
  145    H3*    A  14           H3*        A  14  20.035  15.493   9.729
  146    H2*    A  14           H2*        A  14  19.263  13.357   9.216
  147   2HO*    A  14          2HO*        A  14  18.926  11.768  10.786
  148    H1*    A  14           H1*        A  14  17.069  13.366  11.027
  149    H8     A  14           H8         A  14  16.526  16.137   8.678
  150   1H6     A  14          1H6         A  14  15.086  12.110   4.247
  151   2H6     A  14          2H6         A  14  15.092  13.799   4.703
  152    H2     A  14           H2         A  14  16.822   9.820   7.696
  153   1H5*    G  15          1H5*        G  15  22.312  11.594   9.155
  154   2H5*    G  15          2H5*        G  15  22.392  12.366   7.559
  155    H4*    G  15           H4*        G  15  19.914  11.407   9.020
  156    H3*    G  15           H3*        G  15  21.473   9.916   7.399
  157    H2*    G  15           H2*        G  15  21.537  11.245   5.471
  158   2HO*    G  15          2HO*        G  15  19.665  10.703   4.105
  159    H1*    G  15           H1*        G  15  18.786  12.302   5.560
  160    H8     G  15           H8         G  15  21.326  12.519   3.648
  161    H1     G  15           H1         G  15  21.554  18.221   6.478
  162   1H2     G  15          1H2         G  15  20.306  18.206   8.309
  163   2H2     G  15          2H2         G  15  19.411  16.796   8.827
  164   1H5*    U  16          1H5*        U  16  18.274   8.844   5.034
  165   2H5*    U  16          2H5*        U  16  16.603   8.777   5.628
  166    H4*    U  16           H4*        U  16  16.169   6.756   4.596
  167    H3*    U  16           H3*        U  16  18.513   5.845   5.737
  168    H2*    U  16           H2*        U  16  19.990   6.739   4.095
  169   2HO*    U  16          2HO*        U  16  19.320   4.117   3.744
  170    H1*    U  16           H1*        U  16  18.065   5.956   1.899
  171    H3     U  16           H3         U  16  20.925   7.644  -1.119
  172    H5     U  16           H5         U  16  21.008  10.525   1.956
  173    H6     U  16           H6         U  16  19.516   9.108   3.237
  174   1H5*    G  17          1H5*        G  17  18.549   4.631   7.530
  175   2H5*    G  17          2H5*        G  17  17.419   3.326   7.933
  176    H4*    G  17           H4*        G  17  18.053   4.936   9.845
  177    H3*    G  17           H3*        G  17  15.783   3.506   9.347
  178    H2*    G  17           H2*        G  17  14.177   5.156   8.866
  179   2HO*    G  17          2HO*        G  17  14.773   6.060  11.493
  180    H1*    G  17           H1*        G  17  15.550   7.440  10.162
  181    H8     G  17           H8         G  17  15.092   6.053   6.557
  182    H1     G  17           H1         G  17  12.739  11.890   7.568
  183   1H2     G  17          1H2         G  17  13.971  11.487  10.805
  184   2H2     G  17          2H2         G  17  13.135  12.513   9.661
  185   1H5*    C  18          1H5*        C  18  13.566   1.283  11.728
  186   2H5*    C  18          2H5*        C  18  13.652   1.070   9.968
  187    H4*    C  18           H4*        C  18  13.387   3.797  11.277
  188    H3*    C  18           H3*        C  18  11.387   2.007  11.586
  189    H2*    C  18           H2*        C  18  11.208   1.282   9.318
  190   2HO*    C  18          2HO*        C  18   9.492   2.664   8.338
  191    H1*    C  18           H1*        C  18  11.443   4.049   8.184
  192   1H4     C  18          1H4         C  18  14.234   0.011   3.793
  193   2H4     C  18          2H4         C  18  12.532  -0.272   3.501
  194    H5     C  18           H5         C  18  15.057   1.320   5.637
  195    H6     C  18           H6         C  18  14.435   2.658   7.594
  196   1H5*    U  19          1H5*        U  19  12.389   5.065  12.305
  197   2H5*    U  19          2H5*        U  19  12.882   4.671  13.961
  198    H4*    U  19           H4*        U  19  12.798   6.847  14.599
  199    H3*    U  19           H3*        U  19  10.127   6.849  13.147
  200    H2*    U  19           H2*        U  19  10.187   9.199  13.038
  201   2HO*    U  19          2HO*        U  19  12.120  10.206  14.285
  202    H1*    U  19           H1*        U  19  12.885   9.498  12.548
  203    H3     U  19           H3         U  19  10.324  10.913   8.986
  204    H5     U  19           H5         U  19  10.867   6.770   8.435
  205    H6     U  19           H6         U  19  11.850   6.668  10.649
  206   1H5*    U  20          1H5*        U  20   9.710   9.640  16.747
  207   2H5*    U  20          2H5*        U  20   8.019   9.479  17.263
  208    H4*    U  20           H4*        U  20   8.677  11.838  16.737
  209    H3*    U  20           H3*        U  20   6.487  10.426  15.179
  210    H2*    U  20           H2*        U  20   6.142  12.384  13.886
  211   2HO*    U  20          2HO*        U  20   7.347  13.627  16.115
  212    H1*    U  20           H1*        U  20   8.774  13.176  13.668
  213    H3     U  20           H3         U  20   7.429  12.110   9.461
  214    H5     U  20           H5         U  20   7.950   8.388  11.363
  215    H6     U  20           H6         U  20   8.276   9.572  13.451
  216   1H5*    G  21          1H5*        G  21   2.695  10.168  15.398
  217   2H5*    G  21          2H5*        G  21   4.416  10.377  15.019
  218    H4*    G  21           H4*        G  21   3.056  12.955  15.208
  219    H3*    G  21           H3*        G  21   1.880  10.807  13.405
  220    H2*    G  21           H2*        G  21   1.580  12.464  11.716
  221   2HO*    G  21          2HO*        G  21   0.995  14.113  13.436
  222    H1*    G  21           H1*        G  21   4.052  13.560  11.927
  223    H8     G  21           H8         G  21   4.850  10.054  12.611
  224    H1     G  21           H1         G  21   2.835  10.664   6.594
  225   1H2     G  21          1H2         G  21   1.860  13.867   7.551
  226   2H2     G  21          2H2         G  21   1.967  12.676   6.271
  227   1H5*    G  22          1H5*        G  22  -1.327  13.863  14.205
  228   2H5*    G  22          2H5*        G  22  -2.960  13.257  13.864
  229    H4*    G  22           H4*        G  22  -2.119  15.130  12.342
  230    H3*    G  22           H3*        G  22  -3.003  12.438  11.226
  231    H2*    G  22           H2*        G  22  -2.864  13.448   9.060
  232   2HO*    G  22          2HO*        G  22  -2.382  15.730   8.888
  233    H1*    G  22           H1*        G  22  -0.417  14.637   9.537
  234    H8     G  22           H8         G  22   0.134  11.431  11.168
  235    H1     G  22           H1         G  22  -0.562  10.592   4.891
  236   1H2     G  22          1H2         G  22  -1.778  13.857   4.892
  237   2H2     G  22          2H2         G  22  -1.386  12.429   3.962
  238   1H5*    A  23          1H5*        A  23  -6.364  14.606   9.624
  239   2H5*    A  23          2H5*        A  23  -7.673  13.419   9.468
  240    H4*    A  23           H4*        A  23  -6.484  14.172   7.303
  241    H3*    A  23           H3*        A  23  -6.919  11.280   8.133
  242    H2*    A  23           H2*        A  23  -5.921  10.583   6.103
  243   2HO*    A  23          2HO*        A  23  -6.569  11.713   4.427
  244    H1*    A  23           H1*        A  23  -3.930  12.496   6.005
  245    H8     A  23           H8         A  23  -3.553  11.489   9.449
  246   1H6     A  23          1H6         A  23  -1.550   7.129   9.017
  247   2H6     A  23          2H6         A  23  -1.328   6.040   7.666
  248    H2     A  23           H2         A  23  -3.212   8.020   4.089
  249   1H5*    C  24          1H5*        C  24  -9.011  10.391   3.990
  250   2H5*    C  24          2H5*        C  24 -10.106   9.283   4.842
  251    H4*    C  24           H4*        C  24  -8.376   8.308   3.134
  252    H3*    C  24           H3*        C  24  -9.015   7.257   5.909
  253    H2*    C  24           H2*        C  24  -7.413   5.530   5.627
  254   2HO*    C  24          2HO*        C  24  -7.168   6.257   2.874
  255    H1*    C  24           H1*        C  24  -5.473   7.004   4.382
  256   1H4     C  24          1H4         C  24  -5.012   8.230  10.868
  257   2H4     C  24          2H4         C  24  -4.102   6.757  10.623
  258    H5     C  24           H5         C  24  -6.288   9.296   9.130
  259    H6     C  24           H6         C  24  -7.052   9.131   6.811
  260   1H5*    G  25          1H5*        G  25 -10.882   3.919   6.928
  261   2H5*    G  25          2H5*        G  25  -9.708   5.149   6.418
  262    H4*    G  25           H4*        G  25  -9.768   3.060   4.435
  263    H3*    G  25           H3*        G  25  -9.630   2.139   7.333
  264    H2*    G  25           H2*        G  25  -7.942   0.585   6.711
  265   2HO*    G  25          2HO*        G  25  -9.184   0.619   4.365
  266    H1*    G  25           H1*        G  25  -6.468   2.320   5.221
  267    H8     G  25           H8         G  25  -7.515   4.640   7.805
  268    H1     G  25           H1         G  25  -3.907   0.079  10.417
  269   1H2     G  25          1H2         G  25  -4.380  -1.598   7.394
  270   2H2     G  25          2H2         G  25  -3.656  -1.602   8.986
  271   1H5*    C  26          1H5*        C  26  -9.559  -1.196   5.759
  272   2H5*    C  26          2H5*        C  26 -10.793  -2.392   6.206
  273    H4*    C  26           H4*        C  26  -8.672  -3.344   6.795
  274    H3*    C  26           H3*        C  26 -10.268  -2.245   9.130
  275    H2*    C  26           H2*        C  26  -8.559  -2.918  10.624
  276   2HO*    C  26          2HO*        C  26  -7.336  -4.620  10.235
  277    H1*    C  26           H1*        C  26  -6.411  -2.179   9.085
  278   1H4     C  26          1H4         C  26  -8.727   3.298  11.992
  279   2H4     C  26          2H4         C  26  -7.657   2.575  13.173
  280    H5     C  26           H5         C  26  -9.290   2.241   9.902
  281    H6     C  26           H6         C  26  -8.988   0.246   8.515
  282   1H5*    U  27          1H5*        U  27 -12.646  -4.077  11.712
  283   2H5*    U  27          2H5*        U  27 -11.404  -3.217  10.783
  284    H4*    U  27           H4*        U  27 -10.433  -5.842  11.559
  285    H3*    U  27           H3*        U  27 -11.758  -4.163  13.703
  286    H2*    U  27           H2*        U  27  -9.919  -4.474  15.151
  287   2HO*    U  27          2HO*        U  27  -8.254  -6.066  14.565
  288    H1*    U  27           H1*        U  27  -7.899  -4.292  13.299
  289    H3     U  27           H3         U  27  -7.979  -0.747  16.287
  290    H5     U  27           H5         U  27 -10.354   0.402  13.001
  291    H6     U  27           H6         U  27 -10.217  -1.877  12.185
  292   1H5*    C  28          1H5*        C  28 -10.387  -7.178  15.720
  293   2H5*    C  28          2H5*        C  28 -11.481  -7.938  16.893
  294    H4*    C  28           H4*        C  28  -9.465  -6.933  17.970
  295    H3*    C  28           H3*        C  28 -12.258  -5.954  18.592
  296    H2*    C  28           H2*        C  28 -11.454  -4.208  19.894
  297   2HO*    C  28          2HO*        C  28  -9.425  -4.398  21.014
  298    H1*    C  28           H1*        C  28  -8.804  -4.048  18.790
  299   1H4     C  28          1H4         C  28 -12.307   1.057  16.512
  300   2H4     C  28          2H4         C  28 -11.654   1.620  18.035
  301    H5     C  28           H5         C  28 -12.108  -1.218  15.751
  302    H6     C  28           H6         C  28 -11.234  -3.443  16.277
  303   1H5*    C  29          1H5*        C  29 -13.884  -6.374  22.832
  304   2H5*    C  29          2H5*        C  29 -13.554  -5.148  21.591
  305    H4*    C  29           H4*        C  29 -12.211  -5.246  24.322
  306    H3*    C  29           H3*        C  29 -14.643  -3.780  23.274
  307    H2*    C  29           H2*        C  29 -14.046  -1.858  24.464
  308   2HO*    C  29          2HO*        C  29 -12.004  -3.268  25.856
  309    H1*    C  29           H1*        C  29 -11.307  -2.035  24.095
  310   1H4     C  29          1H4         C  29 -13.958   0.958  18.802
  311   2H4     C  29          2H4         C  29 -13.639   2.250  19.939
  312    H5     C  29           H5         C  29 -13.652  -1.372  19.329
  313    H6     C  29           H6         C  29 -12.982  -2.975  21.054
  314    H3T    C  29           H3T        C  29 -14.684  -5.586  24.845
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1 -14.252  11.829  22.091
    2   2H5*    G   1          2H5*        G   1 -12.598  11.565  21.501
    3    H4*    G   1           H4*        G   1 -12.960  11.050  23.963
    4    H3*    G   1           H3*        G   1 -11.895   9.006  21.980
    5    H2*    G   1           H2*        G   1 -11.676   7.437  23.771
    6   2HO*    G   1          2HO*        G   1 -10.906   9.236  25.239
    7    H1*    G   1           H1*        G   1 -14.078   7.919  24.944
    8    H8     G   1           H8         G   1 -15.089   8.204  21.461
    9    H1     G   1           H1         G   1 -13.210   2.237  22.688
   10   1H2     G   1          1H2         G   1 -11.888   3.583  25.619
   11   2H2     G   1          2H2         G   1 -12.139   2.163  24.630
   12    H5T    G   1           H5T        G   1 -13.356   9.475  20.776
   13   1H5*    G   2          1H5*        G   2  -8.813   9.031  25.271
   14   2H5*    G   2          2H5*        G   2  -7.283   8.650  24.456
   15    H4*    G   2           H4*        G   2  -8.155   7.005  26.266
   16    H3*    G   2           H3*        G   2  -7.113   6.295  23.516
   17    H2*    G   2           H2*        G   2  -7.584   3.997  23.897
   18   2HO*    G   2          2HO*        G   2  -8.398   4.106  26.513
   19    H1*    G   2           H1*        G   2  -9.943   4.263  25.237
   20    H8     G   2           H8         G   2 -10.482   6.635  22.527
   21    H1     G   2           H1         G   2 -10.047   0.721  20.191
   22   1H2     G   2          1H2         G   2  -8.764  -0.095  23.328
   23   2H2     G   2          2H2         G   2  -9.211  -0.644  21.728
   24   1H5*    A   3          1H5*        A   3  -4.288   4.095  22.493
   25   2H5*    A   3          2H5*        A   3  -6.038   3.923  22.730
   26    H4*    A   3           H4*        A   3  -4.544   1.716  23.951
   27    H3*    A   3           H3*        A   3  -4.057   2.445  21.055
   28    H2*    A   3           H2*        A   3  -4.252   0.185  20.417
   29   2HO*    A   3          2HO*        A   3  -3.232  -1.046  21.859
   30    H1*    A   3           H1*        A   3  -6.455  -0.419  21.949
   31    H8     A   3           H8         A   3  -6.885   3.109  20.732
   32   1H6     A   3          1H6         A   3  -8.745   2.261  16.365
   33   2H6     A   3          2H6         A   3  -8.930   0.813  15.401
   34    H2     A   3           H2         A   3  -7.235  -2.579  17.813
   35   1H5*    G   4          1H5*        G   4  -0.168  -0.721  20.588
   36   2H5*    G   4          2H5*        G   4  -0.343  -0.028  18.964
   37    H4*    G   4           H4*        G   4  -1.251  -2.594  19.964
   38    H3*    G   4           H3*        G   4  -1.090  -1.163  17.290
   39    H2*    G   4           H2*        G   4  -2.491  -2.800  16.331
   40   2HO*    G   4          2HO*        G   4  -2.897  -4.763  17.277
   41    H1*    G   4           H1*        G   4  -4.324  -2.899  18.377
   42    H8     G   4           H8         G   4  -3.640   0.670  18.387
   43    H1     G   4           H1         G   4  -6.695  -0.980  13.042
   44   1H2     G   4          1H2         G   4  -5.864  -4.244  13.944
   45   2H2     G   4          2H2         G   4  -6.654  -3.186  12.796
   46   1H5*    U   5          1H5*        U   5  -0.278  -4.740  16.229
   47   2H5*    U   5          2H5*        U   5   1.062  -5.086  15.117
   48    H4*    U   5           H4*        U   5  -1.024  -5.597  13.983
   49    H3*    U   5           H3*        U   5   0.384  -3.059  13.103
   50    H2*    U   5           H2*        U   5  -1.280  -2.743  11.436
   51   2HO*    U   5          2HO*        U   5  -1.839  -4.532  10.436
   52    H1*    U   5           H1*        U   5  -3.439  -3.541  12.993
   53    H3     U   5           H3         U   5  -4.141   0.897  12.352
   54    H5     U   5           H5         U   5  -1.152   0.698  15.313
   55    H6     U   5           H6         U   5  -0.900  -1.654  14.808
   56   1H5*    G   6          1H5*        G   6   2.294  -1.227  11.609
   57   2H5*    G   6          2H5*        G   6   0.658  -1.909  11.634
   58    H4*    G   6           H4*        G   6   1.650  -2.476   9.058
   59    H3*    G   6           H3*        G   6   3.269  -0.412   9.902
   60    H2*    G   6           H2*        G   6   1.454   1.064  10.468
   61   2HO*    G   6          2HO*        G   6   1.205   2.464   8.513
   62    H1*    G   6           H1*        G   6   0.101   0.272   7.897
   63    H8     G   6           H8         G   6  -0.676   0.772  11.675
   64    H1     G   6           H1         G   6  -4.628   3.839   7.738
   65   1H2     G   6          1H2         G   6  -2.720   2.439   5.186
   66   2H2     G   6          2H2         G   6  -4.072   3.456   5.631
   67   1H5*    C   7          1H5*        C   7   5.494  -0.727   5.200
   68   2H5*    C   7          2H5*        C   7   6.284   0.568   6.123
   69    H4*    C   7           H4*        C   7   3.366   0.325   5.337
   70    H3*    C   7           H3*        C   7   5.474   1.660   4.132
   71    H2*    C   7           H2*        C   7   5.879   3.203   5.856
   72   2HO*    C   7          2HO*        C   7   5.169   4.489   4.066
   73    H1*    C   7           H1*        C   7   2.999   3.476   6.647
   74   1H4     C   7          1H4         C   7   6.914   6.141  11.052
   75   2H4     C   7          2H4         C   7   7.192   4.533  11.683
   76    H5     C   7           H5         C   7   6.342   2.539  10.637
   77    H6     C   7           H6         C   7   5.000   1.658   8.773
   78   1H5*    U   8          1H5*        U   8   1.777   0.970   3.150
   79   2H5*    U   8          2H5*        U   8   1.787  -0.230   1.844
   80    H4*    U   8           H4*        U   8   0.046   0.764   0.734
   81    H3*    U   8           H3*        U   8   1.343   3.362   1.599
   82    H2*    U   8           H2*        U   8  -0.715   4.500   1.443
   83   2HO*    U   8          2HO*        U   8  -2.507   3.619   0.366
   84    H1*    U   8           H1*        U   8  -2.309   2.577   2.557
   85    H3     U   8           H3         U   8  -1.611   6.338   5.222
   86    H5     U   8           H5         U   8   1.143   3.393   6.453
   87    H6     U   8           H6         U   8   0.568   2.115   4.484
   88   1H5*    U   9          1H5*        U   9  -1.118   5.085  -1.538
   89   2H5*    U   9          2H5*        U   9   0.059   6.120  -2.371
   90    H4*    U   9           H4*        U   9  -1.842   7.390  -1.339
   91    H3*    U   9           H3*        U   9   1.037   7.878  -0.577
   92    H2*    U   9           H2*        U   9   0.406   9.480   1.015
   93   2HO*    U   9          2HO*        U   9  -1.600  10.530   0.966
   94    H1*    U   9           H1*        U   9  -1.942   8.298   1.914
   95    H3     U   9           H3         U   9   1.034   8.520   5.381
   96    H5     U   9           H5         U   9   2.188   5.158   3.124
   97    H6     U   9           H6         U   9   0.636   5.885   1.394
   98   1H5*    C  10          1H5*        C  10   3.471  11.071  -1.396
   99   2H5*    C  10          2H5*        C  10   2.509   9.762  -0.679
  100    H4*    C  10           H4*        C  10   1.092  12.299  -0.491
  101    H3*    C  10           H3*        C  10   3.993  12.235   0.359
  102    H2*    C  10           H2*        C  10   3.485  13.118   2.463
  103   2HO*    C  10          2HO*        C  10   0.997  14.026   1.383
  104    H1*    C  10           H1*        C  10   0.880  12.105   2.763
  105   1H4     C  10          1H4         C  10   5.073   7.844   5.598
  106   2H4     C  10          2H4         C  10   4.510   8.872   6.896
  107    H5     C  10           H5         C  10   4.451   8.158   3.306
  108    H6     C  10           H6         C  10   3.361   9.658   1.708
  109   1H5*    A  11          1H5*        A  11   6.463  15.392   1.217
  110   2H5*    A  11          2H5*        A  11   5.409  14.005   1.563
  111    H4*    A  11           H4*        A  11   4.648  16.618   2.808
  112    H3*    A  11           H3*        A  11   7.157  15.044   3.486
  113    H2*    A  11           H2*        A  11   6.773  15.449   5.771
  114   2HO*    A  11          2HO*        A  11   5.200  17.524   4.786
  115    H1*    A  11           H1*        A  11   4.103  14.835   5.737
  116    H8     A  11           H8         A  11   5.221  12.335   3.364
  117   1H6     A  11          1H6         A  11   7.441   9.143   6.222
  118   2H6     A  11          2H6         A  11   7.988   9.203   7.881
  119    H2     A  11           H2         A  11   6.974  13.287   9.446
  120   1H5*    A  12          1H5*        A  12   6.968  19.054   5.531
  121   2H5*    A  12          2H5*        A  12   8.503  19.887   5.210
  122    H4*    A  12           H4*        A  12   7.899  20.192   7.555
  123    H3*    A  12           H3*        A  12  10.235  18.345   6.956
  124    H2*    A  12           H2*        A  12  10.562  18.045   9.305
  125   2HO*    A  12          2HO*        A  12   9.964  20.441   9.618
  126    H1*    A  12           H1*        A  12   7.950  17.673   9.946
  127    H8     A  12           H8         A  12   8.352  16.102   6.600
  128   1H6     A  12          1H6         A  12  10.186  11.830   7.859
  129   2H6     A  12          2H6         A  12  10.849  11.203   9.351
  130    H2     A  12           H2         A  12  10.629  14.522  12.369
  131   1H5*    C  13          1H5*        C  13  11.791  21.090   9.608
  132   2H5*    C  13          2H5*        C  13  13.453  21.615   9.267
  133    H4*    C  13           H4*        C  13  13.420  20.492  11.417
  134    H3*    C  13           H3*        C  13  14.742  19.014   9.129
  135    H2*    C  13           H2*        C  13  15.235  17.189  10.589
  136   2HO*    C  13          2HO*        C  13  16.030  18.252  12.383
  137    H1*    C  13           H1*        C  13  12.865  17.131  11.938
  138   1H4     C  13          1H4         C  13  12.572  12.959   7.101
  139   2H4     C  13          2H4         C  13  12.094  14.244   6.014
  140    H5     C  13           H5         C  13  11.998  16.565   6.674
  141    H6     C  13           H6         C  13  12.317  18.138   8.512
  142   1H5*    A  14          1H5*        A  14  19.082  19.621   8.595
  143   2H5*    A  14          2H5*        A  14  18.344  18.225   7.784
  144    H4*    A  14           H4*        A  14  18.685  18.718  10.755
  145    H3*    A  14           H3*        A  14  19.684  16.739   8.700
  146    H2*    A  14           H2*        A  14  19.478  14.937  10.201
  147   2HO*    A  14          2HO*        A  14  19.829  15.187  12.285
  148    H1*    A  14           H1*        A  14  17.136  15.647  11.437
  149    H8     A  14           H8         A  14  15.492  16.211   8.550
  150   1H6     A  14          1H6         A  14  16.842  10.793   5.959
  151   2H6     A  14          2H6         A  14  15.826  12.213   5.869
  152    H2     A  14           H2         A  14  19.592  11.375   9.463
  153   1H5*    G  15          1H5*        G  15  22.071  15.260  10.649
  154   2H5*    G  15          2H5*        G  15  23.685  15.161   9.916
  155    H4*    G  15           H4*        G  15  21.244  13.520   9.375
  156    H3*    G  15           H3*        G  15  23.603  12.892  10.547
  157    H2*    G  15           H2*        G  15  25.118  13.326   8.827
  158   2HO*    G  15          2HO*        G  15  25.638  11.438   7.867
  159    H1*    G  15           H1*        G  15  23.457  12.532   6.526
  160    H8     G  15           H8         G  15  26.403  13.624   7.001
  161    H1     G  15           H1         G  15  23.581  18.888   4.782
  162   1H2     G  15          1H2         G  15  21.377  18.689   4.955
  163   2H2     G  15          2H2         G  15  20.611  17.257   5.608
  164   1H5*    U  16          1H5*        U  16  24.144   8.178   8.319
  165   2H5*    U  16          2H5*        U  16  23.229   9.669   8.017
  166    H4*    U  16           H4*        U  16  21.865   7.417   9.464
  167    H3*    U  16           H3*        U  16  23.106   6.784   7.073
  168    H2*    U  16           H2*        U  16  22.005   8.375   5.703
  169   2HO*    U  16          2HO*        U  16  21.232   6.696   4.610
  170    H1*    U  16           H1*        U  16  19.391   8.012   7.149
  171    H3     U  16           H3         U  16  18.079  11.015   3.992
  172    H5     U  16           H5         U  16  21.093  13.019   6.150
  173    H6     U  16           H6         U  16  21.532  10.949   7.335
  174   1H5*    G  17          1H5*        G  17  19.157   5.006  10.130
  175   2H5*    G  17          2H5*        G  17  19.707   6.416   9.203
  176    H4*    G  17           H4*        G  17  20.405   6.826  11.968
  177    H3*    G  17           H3*        G  17  18.265   5.142  11.939
  178    H2*    G  17           H2*        G  17  16.500   6.499  11.178
  179   2HO*    G  17          2HO*        G  17  17.132   7.861  13.596
  180    H1*    G  17           H1*        G  17  17.658   9.121  11.868
  181    H8     G  17           H8         G  17  17.490   7.018   8.612
  182    H1     G  17           H1         G  17  13.749  12.181   8.713
  183   1H2     G  17          1H2         G  17  15.006  12.634  11.933
  184   2H2     G  17          2H2         G  17  13.948  13.214  10.667
  185   1H5*    C  18          1H5*        C  18  16.168   3.526  15.052
  186   2H5*    C  18          2H5*        C  18  16.079   2.877  13.402
  187    H4*    C  18           H4*        C  18  15.680   5.814  14.075
  188    H3*    C  18           H3*        C  18  13.887   3.894  14.871
  189    H2*    C  18           H2*        C  18  13.547   2.906  12.719
  190   2HO*    C  18          2HO*        C  18  11.722   4.735  11.950
  191    H1*    C  18           H1*        C  18  13.491   5.632  11.414
  192   1H4     C  18          1H4         C  18  15.328   1.312   6.766
  193   2H4     C  18          2H4         C  18  13.583   1.323   6.630
  194    H5     C  18           H5         C  18  16.524   2.450   8.520
  195    H6     C  18           H6         C  18  16.308   3.843  10.526
  196   1H5*    U  19          1H5*        U  19  14.731   7.028  15.265
  197   2H5*    U  19          2H5*        U  19  15.282   6.997  16.951
  198    H4*    U  19           H4*        U  19  14.942   9.222  17.195
  199    H3*    U  19           H3*        U  19  12.247   8.613  15.951
  200    H2*    U  19           H2*        U  19  11.974  10.855  15.300
  201   2HO*    U  19          2HO*        U  19  13.912  12.272  16.292
  202    H1*    U  19           H1*        U  19  14.613  11.433  14.667
  203    H3     U  19           H3         U  19  11.436  11.534  11.186
  204    H5     U  19           H5         U  19  13.616   7.938  10.931
  205    H6     U  19           H6         U  19  14.478   8.376  13.155
  206   1H5*    U  20          1H5*        U  20   8.602   9.131  16.729
  207   2H5*    U  20          2H5*        U  20  10.192   9.099  15.941
  208    H4*    U  20           H4*        U  20   9.378  11.839  16.453
  209    H3*    U  20           H3*        U  20   7.362  10.010  15.108
  210    H2*    U  20           H2*        U  20   6.942  11.688  13.489
  211   2HO*    U  20          2HO*        U  20   7.992  13.836  13.829
  212    H1*    U  20           H1*        U  20   9.540  12.502  13.123
  213    H3     U  20           H3         U  20   7.422  10.171   9.628
  214    H5     U  20           H5         U  20   9.926   7.473  11.676
  215    H6     U  20           H6         U  20  10.185   9.138  13.422
  216   1H5*    G  21          1H5*        G  21   4.297  13.536  16.485
  217   2H5*    G  21          2H5*        G  21   2.860  12.496  16.446
  218    H4*    G  21           H4*        G  21   3.070  14.563  14.803
  219    H3*    G  21           H3*        G  21   2.041  11.773  14.168
  220    H2*    G  21           H2*        G  21   1.590  12.510  11.943
  221   2HO*    G  21          2HO*        G  21   1.181  14.855  13.162
  222    H1*    G  21           H1*        G  21   3.871  13.966  11.598
  223    H8     G  21           H8         G  21   5.088  10.922  13.294
  224    H1     G  21           H1         G  21   3.060   9.570   7.403
  225   1H2     G  21          1H2         G  21   1.937  11.227   6.585
  226   2H2     G  21          2H2         G  21   1.689  12.736   7.417
  227   1H5*    G  22          1H5*        G  22  -2.688  11.517  14.270
  228   2H5*    G  22          2H5*        G  22  -0.966  11.359  13.869
  229    H4*    G  22           H4*        G  22  -2.182  14.033  13.348
  230    H3*    G  22           H3*        G  22  -3.046  11.487  11.951
  231    H2*    G  22           H2*        G  22  -3.042  12.606   9.884
  232   2HO*    G  22          2HO*        G  22  -2.290  15.075  10.281
  233    H1*    G  22           H1*        G  22  -0.628  13.901  10.242
  234    H8     G  22           H8         G  22   0.501  10.875  11.692
  235    H1     G  22           H1         G  22  -1.169   9.734   5.647
  236   1H2     G  22          1H2         G  22  -2.845  12.782   5.854
  237   2H2     G  22          2H2         G  22  -2.417  11.397   4.875
  238   1H5*    A  23          1H5*        A  23  -8.153  12.870  10.263
  239   2H5*    A  23          2H5*        A  23  -7.330  11.302  10.397
  240    H4*    A  23           H4*        A  23  -7.336  13.273   8.128
  241    H3*    A  23           H3*        A  23  -7.609  10.274   8.513
  242    H2*    A  23           H2*        A  23  -6.771   9.919   6.341
  243   2HO*    A  23          2HO*        A  23  -7.866  11.320   5.075
  244    H1*    A  23           H1*        A  23  -4.868  11.937   6.340
  245    H8     A  23           H8         A  23  -3.820  10.618   9.436
  246   1H6     A  23          1H6         A  23  -2.251   5.235   6.875
  247   2H6     A  23          2H6         A  23  -2.024   6.264   8.266
  248    H2     A  23           H2         A  23  -4.781   7.470   3.944
  249   1H5*    C  24          1H5*        C  24 -10.216   9.832   4.968
  250   2H5*    C  24          2H5*        C  24 -11.351   8.691   5.718
  251    H4*    C  24           H4*        C  24  -9.870   7.755   3.851
  252    H3*    C  24           H3*        C  24 -10.092   6.561   6.631
  253    H2*    C  24           H2*        C  24  -8.556   4.863   6.044
  254   2HO*    C  24          2HO*        C  24  -7.919   4.949   3.598
  255    H1*    C  24           H1*        C  24  -6.845   6.389   4.514
  256   1H4     C  24          1H4         C  24  -5.157   7.186  10.867
  257   2H4     C  24          2H4         C  24  -4.386   5.692  10.384
  258    H5     C  24           H5         C  24  -6.669   8.406   9.444
  259    H6     C  24           H6         C  24  -7.818   8.431   7.282
  260   1H5*    G  25          1H5*        G  25 -12.222   3.133   7.621
  261   2H5*    G  25          2H5*        G  25 -11.002   4.347   7.189
  262    H4*    G  25           H4*        G  25 -11.369   2.431   5.022
  263    H3*    G  25           H3*        G  25 -10.864   1.349   7.820
  264    H2*    G  25           H2*        G  25  -9.272  -0.165   6.901
  265   2HO*    G  25          2HO*        G  25  -9.673  -0.934   4.969
  266    H1*    G  25           H1*        G  25  -8.000   1.643   5.318
  267    H8     G  25           H8         G  25  -8.632   3.852   8.110
  268    H1     G  25           H1         G  25  -4.835  -0.891  10.037
  269   1H2     G  25          1H2         G  25  -5.749  -2.431   7.046
  270   2H2     G  25          2H2         G  25  -4.820  -2.516   8.527
  271   1H5*    C  26          1H5*        C  26 -11.359  -2.100   5.971
  272   2H5*    C  26          2H5*        C  26 -12.551  -3.188   6.709
  273    H4*    C  26           H4*        C  26 -10.384  -4.280   6.736
  274    H3*    C  26           H3*        C  26 -11.475  -3.301   9.388
  275    H2*    C  26           H2*        C  26  -9.544  -4.069  10.512
  276   2HO*    C  26          2HO*        C  26  -7.963  -5.371   9.213
  277    H1*    C  26           H1*        C  26  -7.676  -3.317   8.650
  278   1H4     C  26          1H4         C  26  -9.241   2.099  12.108
  279   2H4     C  26          2H4         C  26  -8.026   1.286  13.070
  280    H5     C  26           H5         C  26 -10.181   1.156  10.101
  281    H6     C  26           H6         C  26 -10.210  -0.793   8.621
  282   1H5*    U  27          1H5*        U  27 -14.038  -6.151  11.977
  283   2H5*    U  27          2H5*        U  27 -13.117  -4.763  11.364
  284    H4*    U  27           H4*        U  27 -11.691  -7.363  11.916
  285    H3*    U  27           H3*        U  27 -12.798  -5.423  13.959
  286    H2*    U  27           H2*        U  27 -10.765  -5.439  15.156
  287   2HO*    U  27          2HO*        U  27 -10.438  -7.686  15.198
  288    H1*    U  27           H1*        U  27  -9.026  -5.500  13.027
  289    H3     U  27           H3         U  27  -8.934  -1.559  15.509
  290    H5     U  27           H5         U  27 -11.657  -0.954  12.352
  291    H6     U  27           H6         U  27 -11.510  -3.320  11.855
  292   1H5*    C  28          1H5*        C  28 -13.352  -6.729  18.323
  293   2H5*    C  28          2H5*        C  28 -12.945  -5.355  17.273
  294    H4*    C  28           H4*        C  28 -10.835  -6.928  18.789
  295    H3*    C  28           H3*        C  28 -12.629  -4.672  19.717
  296    H2*    C  28           H2*        C  28 -10.799  -3.568  20.729
  297   2HO*    C  28          2HO*        C  28  -9.339  -4.754  21.689
  298    H1*    C  28           H1*        C  28  -8.931  -4.015  18.779
  299   1H4     C  28          1H4         C  28 -12.567   0.988  16.495
  300   2H4     C  28          2H4         C  28 -11.708   1.704  17.841
  301    H5     C  28           H5         C  28 -12.530  -1.370  16.013
  302    H6     C  28           H6         C  28 -11.650  -3.548  16.701
  303   1H5*    C  29          1H5*        C  29 -11.297  -6.122  23.485
  304   2H5*    C  29          2H5*        C  29 -12.641  -6.509  24.582
  305    H4*    C  29           H4*        C  29 -11.313  -4.788  25.629
  306    H3*    C  29           H3*        C  29 -13.928  -3.858  24.419
  307    H2*    C  29           H2*        C  29 -13.530  -1.677  25.161
  308   2HO*    C  29          2HO*        C  29 -11.899  -2.984  27.035
  309    H1*    C  29           H1*        C  29 -10.784  -1.651  24.724
  310   1H4     C  29          1H4         C  29 -13.861   0.032  19.106
  311   2H4     C  29          2H4         C  29 -13.497   1.538  19.917
  312    H5     C  29           H5         C  29 -13.451  -2.128  20.088
  313    H6     C  29           H6         C  29 -12.610  -3.313  22.061
  314    H3T    C  29           H3T        C  29 -12.933  -4.353  27.056
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1 -15.122  10.419  22.597
    2   2H5*    G   1          2H5*        G   1 -15.590  11.566  23.870
    3    H4*    G   1           H4*        G   1 -14.248  10.345  25.514
    4    H3*    G   1           H3*        G   1 -13.317   8.820  23.062
    5    H2*    G   1           H2*        G   1 -13.268   6.800  24.322
    6   2HO*    G   1          2HO*        G   1 -13.096   8.590  26.474
    7    H1*    G   1           H1*        G   1 -15.591   7.138  25.691
    8    H8     G   1           H8         G   1 -16.466   8.443  22.359
    9    H1     G   1           H1         G   1 -15.552   2.139  22.138
   10   1H2     G   1          1H2         G   1 -14.637   1.439  23.974
   11   2H2     G   1          2H2         G   1 -14.139   2.494  25.267
   12    H5T    G   1           H5T        G   1 -13.833  12.221  22.436
   13   1H5*    G   2          1H5*        G   2 -10.105   8.138  26.414
   14   2H5*    G   2          2H5*        G   2  -8.601   7.870  25.511
   15    H4*    G   2           H4*        G   2  -9.466   6.012  27.143
   16    H3*    G   2           H3*        G   2  -8.392   5.640  24.331
   17    H2*    G   2           H2*        G   2  -8.762   3.295  24.502
   18   2HO*    G   2          2HO*        G   2  -9.346   2.384  26.601
   19    H1*    G   2           H1*        G   2 -11.170   3.377  25.786
   20    H8     G   2           H8         G   2 -11.887   5.945  23.391
   21    H1     G   2           H1         G   2 -10.716   0.507  20.284
   22   1H2     G   2          1H2         G   2  -9.360  -0.572  23.310
   23   2H2     G   2          2H2         G   2  -9.725  -0.946  21.641
   24   1H5*    A   3          1H5*        A   3  -5.535   4.217  22.841
   25   2H5*    A   3          2H5*        A   3  -7.158   3.769  23.399
   26    H4*    A   3           H4*        A   3  -5.419   1.616  24.088
   27    H3*    A   3           H3*        A   3  -4.866   2.834  21.372
   28    H2*    A   3           H2*        A   3  -4.880   0.702  20.362
   29   2HO*    A   3          2HO*        A   3  -4.994  -1.224  21.771
   30    H1*    A   3           H1*        A   3  -7.025  -0.356  21.713
   31    H8     A   3           H8         A   3  -8.219   3.057  21.117
   32   1H6     A   3          1H6         A   3  -9.408   2.838  16.440
   33   2H6     A   3          2H6         A   3  -9.093   1.664  15.181
   34    H2     A   3           H2         A   3  -6.653  -1.618  17.035
   35   1H5*    G   4          1H5*        G   4   0.272   0.947  20.287
   36   2H5*    G   4          2H5*        G   4  -1.135   1.804  19.625
   37    H4*    G   4           H4*        G   4  -1.065  -1.134  20.429
   38    H3*    G   4           H3*        G   4  -0.823   0.323  17.777
   39    H2*    G   4           H2*        G   4  -2.092  -1.365  16.724
   40   2HO*    G   4          2HO*        G   4  -1.769  -3.348  17.395
   41    H1*    G   4           H1*        G   4  -4.027  -1.590  18.662
   42    H8     G   4           H8         G   4  -3.620   1.994  18.789
   43    H1     G   4           H1         G   4  -6.006   0.293  13.128
   44   1H2     G   4          1H2         G   4  -5.018  -2.928  14.030
   45   2H2     G   4          2H2         G   4  -5.772  -1.897  12.836
   46   1H5*    U   5          1H5*        U   5   0.320  -3.314  16.717
   47   2H5*    U   5          2H5*        U   5   1.780  -3.463  15.718
   48    H4*    U   5           H4*        U   5  -0.169  -4.245  14.457
   49    H3*    U   5           H3*        U   5   1.105  -1.629  13.602
   50    H2*    U   5           H2*        U   5  -0.435  -1.470  11.806
   51   2HO*    U   5          2HO*        U   5  -1.413  -3.197  10.926
   52    H1*    U   5           H1*        U   5  -2.658  -2.391  13.194
   53    H3     U   5           H3         U   5  -3.624   1.968  12.440
   54    H5     U   5           H5         U   5  -0.849   2.022  15.608
   55    H6     U   5           H6         U   5  -0.384  -0.311  15.151
   56   1H5*    G   6          1H5*        G   6   3.598  -0.493  11.975
   57   2H5*    G   6          2H5*        G   6   1.945  -1.132  11.948
   58    H4*    G   6           H4*        G   6   3.050  -1.634   9.378
   59    H3*    G   6           H3*        G   6   4.535   0.468  10.363
   60    H2*    G   6           H2*        G   6   2.634   1.849  10.894
   61   2HO*    G   6          2HO*        G   6   2.660   3.467   9.350
   62    H1*    G   6           H1*        G   6   1.432   1.081   8.241
   63    H8     G   6           H8         G   6   0.491   1.506  12.000
   64    H1     G   6           H1         G   6  -3.473   4.391   7.931
   65   1H2     G   6          1H2         G   6  -1.466   3.009   5.446
   66   2H2     G   6          2H2         G   6  -2.861   3.987   5.844
   67   1H5*    C   7          1H5*        C   7   6.297  -0.632   5.234
   68   2H5*    C   7          2H5*        C   7   7.042   0.978   5.187
   69    H4*    C   7           H4*        C   7   4.256   0.178   4.683
   70    H3*    C   7           H3*        C   7   6.112   1.768   3.394
   71    H2*    C   7           H2*        C   7   6.096   3.487   5.062
   72   2HO*    C   7          2HO*        C   7   5.571   4.930   3.579
   73    H1*    C   7           H1*        C   7   3.099   3.285   5.320
   74   1H4     C   7          1H4         C   7   4.347   7.157  10.212
   75   2H4     C   7          2H4         C   7   5.961   6.508  10.391
   76    H5     C   7           H5         C   7   6.840   4.753   8.995
   77    H6     C   7           H6         C   7   6.368   3.246   7.126
   78   1H5*    U   8          1H5*        U   8   2.119   1.016   2.256
   79   2H5*    U   8          2H5*        U   8   2.170  -0.299   1.067
   80    H4*    U   8           H4*        U   8   0.582   0.675  -0.289
   81    H3*    U   8           H3*        U   8   1.769   3.311   0.635
   82    H2*    U   8           H2*        U   8  -0.290   4.406   0.214
   83   2HO*    U   8          2HO*        U   8  -1.440   3.782  -1.446
   84    H1*    U   8           H1*        U   8  -1.947   2.493   1.247
   85    H3     U   8           H3         U   8  -1.702   6.289   3.885
   86    H5     U   8           H5         U   8   1.297   3.691   5.276
   87    H6     U   8           H6         U   8   0.909   2.290   3.344
   88   1H5*    U   9          1H5*        U   9  -0.238   4.962  -2.639
   89   2H5*    U   9          2H5*        U   9   0.952   6.069  -3.353
   90    H4*    U   9           H4*        U   9  -1.051   7.232  -2.386
   91    H3*    U   9           H3*        U   9   1.755   7.768  -1.386
   92    H2*    U   9           H2*        U   9   0.932   9.317   0.179
   93   2HO*    U   9          2HO*        U   9  -1.620   9.281  -1.099
   94    H1*    U   9           H1*        U   9  -1.427   8.003   0.851
   95    H3     U   9           H3         U   9   1.258   8.263   4.549
   96    H5     U   9           H5         U   9   2.786   5.059   2.282
   97    H6     U   9           H6         U   9   1.299   5.730   0.476
   98   1H5*    C  10          1H5*        C  10   2.697  12.823  -2.317
   99   2H5*    C  10          2H5*        C  10   3.195  11.525  -1.212
  100    H4*    C  10           H4*        C  10   0.944  13.514  -0.702
  101    H3*    C  10           H3*        C  10   3.852  13.400   0.125
  102    H2*    C  10           H2*        C  10   3.336  13.865   2.333
  103   2HO*    C  10          2HO*        C  10   1.160  14.986   2.715
  104    H1*    C  10           H1*        C  10   0.570  13.039   2.287
  105   1H4     C  10          1H4         C  10   3.215   9.471   6.776
  106   2H4     C  10          2H4         C  10   4.081   8.522   5.599
  107    H5     C  10           H5         C  10   3.919   8.961   3.199
  108    H6     C  10           H6         C  10   3.100  10.543   1.510
  109   1H5*    A  11          1H5*        A  11   6.262  16.546   1.462
  110   2H5*    A  11          2H5*        A  11   5.404  14.999   1.617
  111    H4*    A  11           H4*        A  11   4.603  17.306   3.386
  112    H3*    A  11           H3*        A  11   7.074  15.550   3.646
  113    H2*    A  11           H2*        A  11   6.782  15.554   5.989
  114   2HO*    A  11          2HO*        A  11   5.986  17.306   6.875
  115    H1*    A  11           H1*        A  11   4.123  14.995   5.912
  116    H8     A  11           H8         A  11   5.001  12.881   3.148
  117   1H6     A  11          1H6         A  11   7.577   9.365   5.251
  118   2H6     A  11          2H6         A  11   8.318   9.212   6.829
  119    H2     A  11           H2         A  11   7.431  12.996   9.068
  120   1H5*    A  12          1H5*        A  12   8.848  20.367   5.511
  121   2H5*    A  12          2H5*        A  12   8.697  18.626   5.197
  122    H4*    A  12           H4*        A  12   8.226  20.013   7.870
  123    H3*    A  12           H3*        A  12  10.527  18.388   6.723
  124    H2*    A  12           H2*        A  12  10.848  17.401   8.895
  125   2HO*    A  12          2HO*        A  12   9.554  18.236  10.692
  126    H1*    A  12           H1*        A  12   8.253  16.925   9.433
  127    H8     A  12           H8         A  12   8.515  16.302   5.787
  128   1H6     A  12          1H6         A  12  10.465  11.895   5.754
  129   2H6     A  12          2H6         A  12  11.196  10.898   6.991
  130    H2     A  12           H2         A  12  11.051  13.259  10.814
  131   1H5*    C  13          1H5*        C  13  12.625  20.693  10.203
  132   2H5*    C  13          2H5*        C  13  14.270  20.849   9.554
  133    H4*    C  13           H4*        C  13  14.062  19.553  11.741
  134    H3*    C  13           H3*        C  13  15.397  18.506   9.236
  135    H2*    C  13           H2*        C  13  15.807  16.394  10.278
  136   2HO*    C  13          2HO*        C  13  15.307  16.294  12.670
  137    H1*    C  13           H1*        C  13  13.450  16.137  11.631
  138   1H4     C  13          1H4         C  13  13.046  12.990   6.066
  139   2H4     C  13          2H4         C  13  12.432  14.442   5.309
  140    H5     C  13           H5         C  13  12.293  16.566   6.441
  141    H6     C  13           H6         C  13  12.704  17.750   8.536
  142   1H5*    A  14          1H5*        A  14  18.578  17.256  11.810
  143   2H5*    A  14          2H5*        A  14  19.973  17.350  10.716
  144    H4*    A  14           H4*        A  14  18.890  15.000  11.388
  145    H3*    A  14           H3*        A  14  19.852  15.878   8.618
  146    H2*    A  14           H2*        A  14  19.279  13.736   7.818
  147   2HO*    A  14          2HO*        A  14  20.528  12.692   9.548
  148    H1*    A  14           H1*        A  14  17.194  13.246   9.674
  149    H8     A  14           H8         A  14  16.018  16.170   7.952
  150   1H6     A  14          1H6         A  14  15.098  12.926   2.807
  151   2H6     A  14          2H6         A  14  14.762  14.432   3.633
  152    H2     A  14           H2         A  14  17.653  10.469   5.564
  153   1H5*    G  15          1H5*        G  15  23.305  14.647   6.559
  154   2H5*    G  15          2H5*        G  15  22.130  15.710   5.758
  155    H4*    G  15           H4*        G  15  21.310  13.124   7.106
  156    H3*    G  15           H3*        G  15  23.017  13.010   5.010
  157    H2*    G  15           H2*        G  15  21.873  14.405   3.500
  158   2HO*    G  15          2HO*        G  15  21.779  12.705   2.196
  159    H1*    G  15           H1*        G  15  19.152  13.387   4.165
  160    H8     G  15           H8         G  15  20.409  15.202   1.888
  161    H1     G  15           H1         G  15  17.738  19.686   5.538
  162   1H2     G  15          1H2         G  15  17.309  18.859   7.548
  163   2H2     G  15          2H2         G  15  17.673  17.203   7.981
  164   1H5*    U  16          1H5*        U  16  20.001   9.687   5.987
  165   2H5*    U  16          2H5*        U  16  20.913   8.167   6.079
  166    H4*    U  16           H4*        U  16  18.754   7.395   5.694
  167    H3*    U  16           H3*        U  16  20.509   6.991   3.605
  168    H2*    U  16           H2*        U  16  19.782   8.853   2.288
  169   2HO*    U  16          2HO*        U  16  18.268   6.536   1.673
  170    H1*    U  16           H1*        U  16  16.908   8.206   2.988
  171    H3     U  16           H3         U  16  15.257  11.797   0.903
  172    H5     U  16           H5         U  16  19.139  13.064   1.943
  173    H6     U  16           H6         U  16  19.501  10.899   2.976
  174   1H5*    G  17          1H5*        G  17  20.592   5.213   6.777
  175   2H5*    G  17          2H5*        G  17  19.638   3.799   7.264
  176    H4*    G  17           H4*        G  17  20.030   5.624   9.049
  177    H3*    G  17           H3*        G  17  17.949   3.859   8.663
  178    H2*    G  17           H2*        G  17  16.146   5.284   8.185
  179   2HO*    G  17          2HO*        G  17  16.779   6.196  10.805
  180    H1*    G  17           H1*        G  17  17.317   7.746   9.372
  181    H8     G  17           H8         G  17  16.733   6.255   5.826
  182    H1     G  17           H1         G  17  13.715  11.740   7.035
  183   1H2     G  17          1H2         G  17  15.241  11.523  10.163
  184   2H2     G  17          2H2         G  17  14.186  12.420   9.096
  185   1H5*    C  18          1H5*        C  18  16.144   1.421  11.129
  186   2H5*    C  18          2H5*        C  18  16.245   1.172   9.375
  187    H4*    C  18           H4*        C  18  15.582   3.861  10.621
  188    H3*    C  18           H3*        C  18  13.874   1.798  10.978
  189    H2*    C  18           H2*        C  18  13.821   1.006   8.722
  190   2HO*    C  18          2HO*        C  18  11.661   1.771   9.442
  191    H1*    C  18           H1*        C  18  13.605   3.762   7.551
  192   1H4     C  18          1H4         C  18  16.935   0.139   3.170
  193   2H4     C  18          2H4         C  18  15.288  -0.372   2.879
  194    H5     C  18           H5         C  18  17.571   1.554   5.010
  195    H6     C  18           H6         C  18  16.769   2.799   6.964
  196   1H5*    U  19          1H5*        U  19  14.427   4.931  11.659
  197   2H5*    U  19          2H5*        U  19  14.984   4.530  13.294
  198    H4*    U  19           H4*        U  19  14.721   6.668  13.989
  199    H3*    U  19           H3*        U  19  11.984   6.421  12.685
  200    H2*    U  19           H2*        U  19  11.788   8.771  12.640
  201   2HO*    U  19          2HO*        U  19  12.419   9.167  14.791
  202    H1*    U  19           H1*        U  19  14.435   9.371  12.072
  203    H3     U  19           H3         U  19  11.246  10.498   8.807
  204    H5     U  19           H5         U  19  13.127   6.900   7.661
  205    H6     U  19           H6         U  19  14.044   6.744   9.899
  206   1H5*    U  20          1H5*        U  20  11.131   8.445  16.522
  207   2H5*    U  20          2H5*        U  20   9.430   8.218  16.976
  208    H4*    U  20           H4*        U  20  10.086  10.580  16.271
  209    H3*    U  20           H3*        U  20   7.837   8.997  14.981
  210    H2*    U  20           H2*        U  20   7.390  10.819  13.534
  211   2HO*    U  20          2HO*        U  20   8.924  12.808  14.362
  212    H1*    U  20           H1*        U  20   9.991  11.709  13.195
  213    H3     U  20           H3         U  20   8.339  10.519   9.115
  214    H5     U  20           H5         U  20   9.374   6.876  10.953
  215    H6     U  20           H6         U  20   9.773   8.099  13.010
  216   1H5*    G  21          1H5*        G  21   3.393  11.270  16.488
  217   2H5*    G  21          2H5*        G  21   3.850  10.324  15.056
  218    H4*    G  21           H4*        G  21   3.333  13.291  15.294
  219    H3*    G  21           H3*        G  21   2.349  10.971  13.607
  220    H2*    G  21           H2*        G  21   1.975  12.425  11.795
  221   2HO*    G  21          2HO*        G  21   2.441  14.840  12.367
  222    H1*    G  21           H1*        G  21   4.252  13.957  12.067
  223    H8     G  21           H8         G  21   5.550  10.576  12.656
  224    H1     G  21           H1         G  21   3.827  11.311   6.568
  225   1H2     G  21          1H2         G  21   2.170  14.156   7.687
  226   2H2     G  21          2H2         G  21   2.569  13.117   6.336
  227   1H5*    G  22          1H5*        G  22  -0.918  14.134  13.636
  228   2H5*    G  22          2H5*        G  22  -2.467  13.297  13.412
  229    H4*    G  22           H4*        G  22  -1.790  15.069  11.651
  230    H3*    G  22           H3*        G  22  -2.574  12.218  10.918
  231    H2*    G  22           H2*        G  22  -2.616  12.984   8.647
  232   2HO*    G  22          2HO*        G  22  -2.555  15.557   9.863
  233    H1*    G  22           H1*        G  22  -0.234  14.369   8.855
  234    H8     G  22           H8         G  22   0.782  11.440  10.677
  235    H1     G  22           H1         G  22  -0.655   9.768   4.697
  236   1H2     G  22          1H2         G  22  -2.241  12.869   4.534
  237   2H2     G  22          2H2         G  22  -1.821  11.381   3.715
  238   1H5*    A  23          1H5*        A  23  -7.766  13.693   8.918
  239   2H5*    A  23          2H5*        A  23  -7.142  12.061   9.233
  240    H4*    A  23           H4*        A  23  -7.159  13.634   6.728
  241    H3*    A  23           H3*        A  23  -7.128  10.725   7.583
  242    H2*    A  23           H2*        A  23  -6.267  10.099   5.470
  243   2HO*    A  23          2HO*        A  23  -6.819  12.773   4.606
  244    H1*    A  23           H1*        A  23  -4.446  12.134   5.199
  245    H8     A  23           H8         A  23  -3.840  11.463   8.684
  246   1H6     A  23          1H6         A  23  -1.559   7.221   8.536
  247   2H6     A  23          2H6         A  23  -1.315   6.034   7.274
  248    H2     A  23           H2         A  23  -3.484   7.562   3.631
  249   1H5*    C  24          1H5*        C  24  -9.109   9.891   4.179
  250   2H5*    C  24          2H5*        C  24 -10.426   8.762   4.553
  251    H4*    C  24           H4*        C  24  -8.673   7.689   3.179
  252    H3*    C  24           H3*        C  24  -9.103   6.722   6.030
  253    H2*    C  24           H2*        C  24  -7.439   5.064   5.686
  254   2HO*    C  24          2HO*        C  24  -7.852   4.172   3.747
  255    H1*    C  24           H1*        C  24  -5.682   6.602   4.238
  256   1H4     C  24          1H4         C  24  -4.710   7.878  10.661
  257   2H4     C  24          2H4         C  24  -3.758   6.447  10.335
  258    H5     C  24           H5         C  24  -6.181   8.881   9.038
  259    H6     C  24           H6         C  24  -7.124   8.678   6.788
  260   1H5*    G  25          1H5*        G  25 -11.536   3.351   6.965
  261   2H5*    G  25          2H5*        G  25 -10.299   4.601   6.725
  262    H4*    G  25           H4*        G  25 -10.363   2.627   4.542
  263    H3*    G  25           H3*        G  25  -9.975   1.710   7.420
  264    H2*    G  25           H2*        G  25  -8.235   0.268   6.666
  265   2HO*    G  25          2HO*        G  25  -8.836   1.020   3.975
  266    H1*    G  25           H1*        G  25  -6.979   2.110   5.107
  267    H8     G  25           H8         G  25  -8.067   4.296   7.815
  268    H1     G  25           H1         G  25  -3.845   0.069  10.040
  269   1H2     G  25          1H2         G  25  -4.326  -1.556   6.992
  270   2H2     G  25          2H2         G  25  -3.504  -1.529   8.535
  271   1H5*    C  26          1H5*        C  26  -9.834  -1.528   5.691
  272   2H5*    C  26          2H5*        C  26 -10.958  -2.844   6.083
  273    H4*    C  26           H4*        C  26  -8.797  -3.746   6.472
  274    H3*    C  26           H3*        C  26 -10.184  -2.831   9.011
  275    H2*    C  26           H2*        C  26  -8.311  -3.531  10.287
  276   2HO*    C  26          2HO*        C  26  -7.540  -4.913   7.908
  277    H1*    C  26           H1*        C  26  -6.361  -2.587   8.618
  278   1H4     C  26          1H4         C  26  -8.706   2.615  11.974
  279   2H4     C  26          2H4         C  26  -7.500   1.905  13.023
  280    H5     C  26           H5         C  26  -9.385   1.625   9.884
  281    H6     C  26           H6         C  26  -9.113  -0.296   8.392
  282   1H5*    U  27          1H5*        U  27  -9.843  -6.912   9.813
  283   2H5*    U  27          2H5*        U  27 -11.077  -7.503  10.943
  284    H4*    U  27           H4*        U  27  -8.724  -7.017  11.893
  285    H3*    U  27           H3*        U  27 -11.332  -5.968  13.036
  286    H2*    U  27           H2*        U  27 -10.166  -4.781  14.670
  287   2HO*    U  27          2HO*        U  27  -7.985  -6.588  14.272
  288    H1*    U  27           H1*        U  27  -7.692  -4.508  13.252
  289    H3     U  27           H3         U  27  -8.851  -0.486  15.129
  290    H5     U  27           H5         U  27 -11.231  -0.837  11.670
  291    H6     U  27           H6         U  27 -10.454  -3.122  11.443
  292   1H5*    C  28          1H5*        C  28 -12.136  -6.734  17.366
  293   2H5*    C  28          2H5*        C  28 -11.472  -5.721  16.069
  294    H4*    C  28           H4*        C  28  -9.446  -6.636  18.013
  295    H3*    C  28           H3*        C  28 -11.902  -5.122  18.927
  296    H2*    C  28           H2*        C  28 -10.589  -3.579  20.114
  297   2HO*    C  28          2HO*        C  28  -8.693  -4.099  21.014
  298    H1*    C  28           H1*        C  28  -8.401  -3.465  18.402
  299   1H4     C  28          1H4         C  28 -12.724   0.998  16.194
  300   2H4     C  28          2H4         C  28 -12.070   1.742  17.636
  301    H5     C  28           H5         C  28 -12.249  -1.272  15.549
  302    H6     C  28           H6         C  28 -11.043  -3.319  16.141
  303   1H5*    C  29          1H5*        C  29 -13.587  -6.191  23.293
  304   2H5*    C  29          2H5*        C  29 -13.773  -4.877  22.111
  305    H4*    C  29           H4*        C  29 -12.156  -4.799  24.689
  306    H3*    C  29           H3*        C  29 -14.768  -3.594  23.746
  307    H2*    C  29           H2*        C  29 -14.330  -1.624  24.938
  308   2HO*    C  29          2HO*        C  29 -13.171  -1.592  26.733
  309    H1*    C  29           H1*        C  29 -11.630  -1.471  24.401
  310   1H4     C  29          1H4         C  29 -14.925   1.027  19.220
  311   2H4     C  29          2H4         C  29 -14.699   2.376  20.310
  312    H5     C  29           H5         C  29 -14.317  -1.235  19.772
  313    H6     C  29           H6         C  29 -13.383  -2.702  21.494
  314    H3T    C  29           H3T        C  29 -13.924  -4.289  26.370
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -15.145   9.037  21.208
    2   2H5*    G   1          2H5*        G   1 -16.393   9.964  22.066
    3    H4*    G   1           H4*        G   1 -14.737   9.795  24.105
    4    H3*    G   1           H3*        G   1 -13.685   7.696  22.175
    5    H2*    G   1           H2*        G   1 -13.418   6.177  24.002
    6   2HO*    G   1          2HO*        G   1 -12.625   7.173  25.720
    7    H1*    G   1           H1*        G   1 -15.786   6.690  25.240
    8    H8     G   1           H8         G   1 -16.997   6.829  21.842
    9    H1     G   1           H1         G   1 -14.881   0.945  23.083
   10   1H2     G   1          1H2         G   1 -13.361   2.407  25.859
   11   2H2     G   1          2H2         G   1 -13.656   0.953  24.933
   12    H5T    G   1           H5T        G   1 -13.847  10.704  21.251
   13   1H5*    G   2          1H5*        G   2 -10.134   7.949  24.777
   14   2H5*    G   2          2H5*        G   2  -8.770   7.485  23.742
   15    H4*    G   2           H4*        G   2  -9.579   5.832  25.605
   16    H3*    G   2           H3*        G   2  -8.936   5.148  22.716
   17    H2*    G   2           H2*        G   2  -9.436   2.884  23.156
   18   2HO*    G   2          2HO*        G   2  -8.909   2.027  25.018
   19    H1*    G   2           H1*        G   2 -11.569   3.305  24.896
   20    H8     G   2           H8         G   2 -12.691   5.464  22.302
   21    H1     G   2           H1         G   2 -12.367  -0.480  20.026
   22   1H2     G   2          1H2         G   2 -10.327  -1.104  22.775
   23   2H2     G   2          2H2         G   2 -11.085  -1.731  21.328
   24   1H5*    A   3          1H5*        A   3  -6.866   2.318  25.065
   25   2H5*    A   3          2H5*        A   3  -5.119   2.568  24.871
   26    H4*    A   3           H4*        A   3  -5.493   0.202  24.734
   27    H3*    A   3           H3*        A   3  -5.019   1.563  22.060
   28    H2*    A   3           H2*        A   3  -5.189  -0.535  20.975
   29   2HO*    A   3          2HO*        A   3  -3.925  -1.544  22.837
   30    H1*    A   3           H1*        A   3  -7.308  -1.518  22.411
   31    H8     A   3           H8         A   3  -8.232   2.015  21.845
   32   1H6     A   3          1H6         A   3  -9.656   1.871  17.233
   33   2H6     A   3          2H6         A   3  -9.527   0.657  15.979
   34    H2     A   3           H2         A   3  -7.355  -2.843  17.773
   35   1H5*    G   4          1H5*        G   4  -0.653   0.565  21.033
   36   2H5*    G   4          2H5*        G   4  -1.274   1.306  19.543
   37    H4*    G   4           H4*        G   4  -1.865  -1.354  20.740
   38    H3*    G   4           H3*        G   4  -1.699  -0.107  17.972
   39    H2*    G   4           H2*        G   4  -3.072  -1.844  17.121
   40   2HO*    G   4          2HO*        G   4  -1.926  -3.295  19.000
   41    H1*    G   4           H1*        G   4  -4.916  -1.821  19.148
   42    H8     G   4           H8         G   4  -4.442   1.732  19.003
   43    H1     G   4           H1         G   4  -6.828  -0.284  13.446
   44   1H2     G   4          1H2         G   4  -5.918  -3.457  14.559
   45   2H2     G   4          2H2         G   4  -6.643  -2.489  13.295
   46   1H5*    U   5          1H5*        U   5  -0.325  -3.704  17.158
   47   2H5*    U   5          2H5*        U   5   1.010  -3.903  16.004
   48    H4*    U   5           H4*        U   5  -1.143  -4.566  14.991
   49    H3*    U   5           H3*        U   5   0.247  -2.078  13.949
   50    H2*    U   5           H2*        U   5  -1.447  -1.845  12.304
   51   2HO*    U   5          2HO*        U   5  -2.540  -4.376  13.028
   52    H1*    U   5           H1*        U   5  -3.578  -2.535  13.947
   53    H3     U   5           H3         U   5  -4.232   1.872  13.119
   54    H5     U   5           H5         U   5  -1.180   1.767  16.019
   55    H6     U   5           H6         U   5  -0.965  -0.609  15.610
   56   1H5*    G   6          1H5*        G   6   2.877  -1.292  12.129
   57   2H5*    G   6          2H5*        G   6   1.172  -1.730  12.333
   58    H4*    G   6           H4*        G   6   1.975  -2.505   9.694
   59    H3*    G   6           H3*        G   6   3.639  -0.426  10.396
   60    H2*    G   6           H2*        G   6   1.848   1.062  11.025
   61   2HO*    G   6          2HO*        G   6   2.406   1.427   8.239
   62    H1*    G   6           H1*        G   6   0.401   0.205   8.529
   63    H8     G   6           H8         G   6  -0.282   0.795  12.309
   64    H1     G   6           H1         G   6  -4.038   4.104   8.364
   65   1H2     G   6          1H2         G   6  -2.261   2.513   5.823
   66   2H2     G   6          2H2         G   6  -3.526   3.640   6.256
   67   1H5*    C   7          1H5*        C   7   4.977  -0.461   4.629
   68   2H5*    C   7          2H5*        C   7   5.365   0.348   6.162
   69    H4*    C   7           H4*        C   7   2.528   0.179   5.100
   70    H3*    C   7           H3*        C   7   4.469   1.480   3.670
   71    H2*    C   7           H2*        C   7   5.178   2.904   5.416
   72   2HO*    C   7          2HO*        C   7   3.008   4.561   4.767
   73    H1*    C   7           H1*        C   7   2.395   3.382   6.447
   74   1H4     C   7          1H4         C   7   6.789   5.851  10.485
   75   2H4     C   7          2H4         C   7   7.136   4.225  11.029
   76    H5     C   7           H5         C   7   6.154   2.262  10.034
   77    H6     C   7           H6         C   7   4.584   1.443   8.325
   78   1H5*    U   8          1H5*        U   8   0.386   0.234   0.124
   79   2H5*    U   8          2H5*        U   8   1.388   1.630  -0.320
   80    H4*    U   8           H4*        U   8  -1.237   1.745  -0.582
   81    H3*    U   8           H3*        U   8   0.634   3.871   0.511
   82    H2*    U   8           H2*        U   8  -1.221   5.315   0.828
   83   2HO*    U   8          2HO*        U   8  -2.174   4.086  -1.299
   84    H1*    U   8           H1*        U   8  -2.950   3.445   1.837
   85    H3     U   8           H3         U   8  -1.350   6.634   4.868
   86    H5     U   8           H5         U   8   0.985   3.162   5.319
   87    H6     U   8           H6         U   8  -0.012   2.290   3.307
   88   1H5*    U   9          1H5*        U   9  -1.416   5.838  -2.319
   89   2H5*    U   9          2H5*        U   9  -0.503   6.911  -3.401
   90    H4*    U   9           H4*        U   9  -2.084   8.240  -2.119
   91    H3*    U   9           H3*        U   9   0.852   8.533  -1.479
   92    H2*    U   9           H2*        U   9   0.395  10.027   0.261
   93   2HO*    U   9          2HO*        U   9  -1.304  11.381   0.251
   94    H1*    U   9           H1*        U   9  -2.017   8.946   1.149
   95    H3     U   9           H3         U   9   1.019   8.822   4.568
   96    H5     U   9           H5         U   9   1.933   5.512   2.128
   97    H6     U   9           H6         U   9   0.402   6.414   0.464
   98   1H5*    C  10          1H5*        C  10   3.440  11.423  -2.026
   99   2H5*    C  10          2H5*        C  10   2.318  10.172  -1.458
  100    H4*    C  10           H4*        C  10   1.077  12.713  -1.007
  101    H3*    C  10           H3*        C  10   4.032  12.617  -0.366
  102    H2*    C  10           H2*        C  10   3.673  13.373   1.808
  103   2HO*    C  10          2HO*        C  10   1.412  14.432   2.148
  104    H1*    C  10           H1*        C  10   0.998  12.481   2.152
  105   1H4     C  10          1H4         C  10   5.099   8.170   5.043
  106   2H4     C  10          2H4         C  10   4.583   9.248   6.321
  107    H5     C  10           H5         C  10   4.465   8.451   2.748
  108    H6     C  10           H6         C  10   3.375   9.935   1.131
  109   1H5*    A  11          1H5*        A  11   6.458  15.639   0.589
  110   2H5*    A  11          2H5*        A  11   5.261  14.383   0.963
  111    H4*    A  11           H4*        A  11   4.625  17.046   2.097
  112    H3*    A  11           H3*        A  11   7.180  15.559   2.809
  113    H2*    A  11           H2*        A  11   6.844  16.160   5.073
  114   2HO*    A  11          2HO*        A  11   4.555  17.691   4.313
  115    H1*    A  11           H1*        A  11   4.201  15.471   5.148
  116    H8     A  11           H8         A  11   5.271  12.804   2.964
  117   1H6     A  11          1H6         A  11   7.667   9.899   5.998
  118   2H6     A  11          2H6         A  11   8.286  10.123   7.618
  119    H2     A  11           H2         A  11   7.280  14.316   8.845
  120   1H5*    A  12          1H5*        A  12   7.967  19.541   3.867
  121   2H5*    A  12          2H5*        A  12   9.600  20.193   3.623
  122    H4*    A  12           H4*        A  12   9.113  19.932   6.024
  123    H3*    A  12           H3*        A  12  11.188  18.065   4.805
  124    H2*    A  12           H2*        A  12  11.618  17.251   6.994
  125   2HO*    A  12          2HO*        A  12  11.694  19.328   8.016
  126    H1*    A  12           H1*        A  12   8.988  17.250   7.853
  127    H8     A  12           H8         A  12   8.703  15.673   4.579
  128   1H6     A  12          1H6         A  12  10.478  11.259   5.477
  129   2H6     A  12          2H6         A  12  11.380  10.589   6.818
  130    H2     A  12           H2         A  12  11.978  13.905   9.783
  131   1H5*    C  13          1H5*        C  13  13.470  20.415   8.092
  132   2H5*    C  13          2H5*        C  13  15.099  20.526   7.399
  133    H4*    C  13           H4*        C  13  15.021  19.450   9.673
  134    H3*    C  13           H3*        C  13  16.137  18.038   7.238
  135    H2*    C  13           H2*        C  13  16.557  16.073   8.530
  136   2HO*    C  13          2HO*        C  13  17.265  17.688  10.373
  137    H1*    C  13           H1*        C  13  14.285  16.083  10.037
  138   1H4     C  13          1H4         C  13  13.373  12.289   4.966
  139   2H4     C  13          2H4         C  13  12.839  13.670   4.035
  140    H5     C  13           H5         C  13  12.906  15.932   4.870
  141    H6     C  13           H6         C  13  13.482  17.348   6.774
  142   1H5*    A  14          1H5*        A  14  21.064  16.788   9.376
  143   2H5*    A  14          2H5*        A  14  20.548  16.824   7.678
  144    H4*    A  14           H4*        A  14  20.142  14.675   9.756
  145    H3*    A  14           H3*        A  14  20.872  14.832   6.788
  146    H2*    A  14           H2*        A  14  20.094  12.642   6.530
  147   2HO*    A  14          2HO*        A  14  21.057  12.408   9.107
  148    H1*    A  14           H1*        A  14  18.177  12.740   8.636
  149    H8     A  14           H8         A  14  16.843  15.273   6.544
  150   1H6     A  14          1H6         A  14  15.407  11.201   2.158
  151   2H6     A  14          2H6         A  14  15.149  12.827   2.746
  152    H2     A  14           H2         A  14  18.263   9.220   5.006
  153   1H5*    G  15          1H5*        G  15  24.005  12.162   5.034
  154   2H5*    G  15          2H5*        G  15  22.965  13.051   3.902
  155    H4*    G  15           H4*        G  15  21.961  10.942   5.843
  156    H3*    G  15           H3*        G  15  23.497  10.308   3.695
  157    H2*    G  15           H2*        G  15  22.318  11.311   1.954
  158   2HO*    G  15          2HO*        G  15  22.006   9.029   1.645
  159    H1*    G  15           H1*        G  15  19.581  10.956   2.986
  160    H8     G  15           H8         G  15  20.927  12.150   0.381
  161    H1     G  15           H1         G  15  19.322  17.526   3.400
  162   1H2     G  15          1H2         G  15  18.962  17.099   5.547
  163   2H2     G  15          2H2         G  15  19.108  15.493   6.224
  164   1H5*    U  16          1H5*        U  16  20.958   5.433   2.792
  165   2H5*    U  16          2H5*        U  16  20.764   7.190   2.631
  166    H4*    U  16           H4*        U  16  19.433   6.017   5.003
  167    H3*    U  16           H3*        U  16  19.133   4.455   2.737
  168    H2*    U  16           H2*        U  16  18.188   6.120   1.330
  169   2HO*    U  16          2HO*        U  16  16.258   4.705   2.758
  170    H1*    U  16           H1*        U  16  16.584   7.270   3.612
  171    H3     U  16           H3         U  16  15.030  10.090   0.430
  172    H5     U  16           H5         U  16  19.215  10.548   0.226
  173    H6     U  16           H6         U  16  19.426   8.736   1.821
  174   1H5*    G  17          1H5*        G  17  19.889   4.564   6.340
  175   2H5*    G  17          2H5*        G  17  19.894   3.147   7.408
  176    H4*    G  17           H4*        G  17  19.915   4.979   8.896
  177    H3*    G  17           H3*        G  17  17.751   3.286   8.895
  178    H2*    G  17           H2*        G  17  15.978   4.726   8.311
  179   2HO*    G  17          2HO*        G  17  15.748   6.410  10.135
  180    H1*    G  17           H1*        G  17  17.333   7.260   9.112
  181    H8     G  17           H8         G  17  16.049   5.248   6.072
  182    H1     G  17           H1         G  17  14.463  11.418   6.105
  183   1H2     G  17          1H2         G  17  16.416  11.574   8.991
  184   2H2     G  17          2H2         G  17  15.401  12.426   7.848
  185   1H5*    C  18          1H5*        C  18  16.308   6.519  12.660
  186   2H5*    C  18          2H5*        C  18  17.573   6.190  11.460
  187    H4*    C  18           H4*        C  18  18.239   5.903  14.372
  188    H3*    C  18           H3*        C  18  17.090   8.291  13.540
  189    H2*    C  18           H2*        C  18  18.709   8.923  11.952
  190   2HO*    C  18          2HO*        C  18  19.311  10.613  13.070
  191    H1*    C  18           H1*        C  18  20.966   7.772  13.570
  192   1H4     C  18          1H4         C  18  22.551   7.905   7.127
  193   2H4     C  18          2H4         C  18  23.716   8.921   7.946
  194    H5     C  18           H5         C  18  20.692   6.865   8.244
  195    H6     C  18           H6         C  18  19.545   6.557  10.388
  196   1H5*    U  19          1H5*        U  19  14.247   7.609  15.492
  197   2H5*    U  19          2H5*        U  19  15.576   7.471  14.331
  198    H4*    U  19           H4*        U  19  15.236  10.237  15.181
  199    H3*    U  19           H3*        U  19  12.783   8.784  14.110
  200    H2*    U  19           H2*        U  19  12.264  10.781  12.957
  201   2HO*    U  19          2HO*        U  19  12.621  12.144  14.827
  202    H1*    U  19           H1*        U  19  14.951  11.509  12.422
  203    H3     U  19           H3         U  19  11.874  11.008   8.862
  204    H5     U  19           H5         U  19  14.293   7.567   9.068
  205    H6     U  19           H6         U  19  15.074   8.317  11.237
  206   1H5*    U  20          1H5*        U  20  11.258  12.417  16.639
  207   2H5*    U  20          2H5*        U  20   9.536  12.101  16.931
  208    H4*    U  20           H4*        U  20  10.171  14.213  15.566
  209    H3*    U  20           H3*        U  20   8.099  12.140  14.769
  210    H2*    U  20           H2*        U  20   7.637  13.372  12.800
  211   2HO*    U  20          2HO*        U  20   8.737  15.499  14.301
  212    H1*    U  20           H1*        U  20  10.212  14.215  12.258
  213    H3     U  20           H3         U  20   8.783  11.550   8.844
  214    H5     U  20           H5         U  20   9.898   8.870  11.892
  215    H6     U  20           H6         U  20  10.189  10.773  13.370
  216   1H5*    G  21          1H5*        G  21   4.139  12.143  16.498
  217   2H5*    G  21          2H5*        G  21   4.525  11.040  15.162
  218    H4*    G  21           H4*        G  21   4.162  14.042  15.101
  219    H3*    G  21           H3*        G  21   3.003  11.616  13.708
  220    H2*    G  21           H2*        G  21   2.648  12.864  11.757
  221   2HO*    G  21          2HO*        G  21   1.767  14.733  12.732
  222    H1*    G  21           H1*        G  21   5.015  14.291  11.784
  223    H8     G  21           H8         G  21   6.189  10.957  12.721
  224    H1     G  21           H1         G  21   4.079  10.933   6.708
  225   1H2     G  21          1H2         G  21   2.718  14.043   7.487
  226   2H2     G  21          2H2         G  21   2.957  12.796   6.284
  227   1H5*    G  22          1H5*        G  22  -0.143  15.165  13.597
  228   2H5*    G  22          2H5*        G  22  -1.705  14.331  13.464
  229    H4*    G  22           H4*        G  22  -1.094  16.095  11.654
  230    H3*    G  22           H3*        G  22  -2.018  13.263  11.014
  231    H2*    G  22           H2*        G  22  -2.171  13.986   8.737
  232   2HO*    G  22          2HO*        G  22  -1.731  16.265   8.254
  233    H1*    G  22           H1*        G  22   0.264  15.295   8.764
  234    H8     G  22           H8         G  22   1.184  12.332  10.637
  235    H1     G  22           H1         G  22  -0.380  10.713   4.674
  236   1H2     G  22          1H2         G  22  -1.745  13.914   4.490
  237   2H2     G  22          2H2         G  22  -1.424  12.399   3.679
  238   1H5*    A  23          1H5*        A  23  -5.535  15.357   9.973
  239   2H5*    A  23          2H5*        A  23  -6.970  14.312   9.966
  240    H4*    A  23           H4*        A  23  -5.730  14.751   7.712
  241    H3*    A  23           H3*        A  23  -6.662  12.075   8.789
  242    H2*    A  23           H2*        A  23  -5.676  10.960   6.991
  243   2HO*    A  23          2HO*        A  23  -6.427  13.292   5.656
  244    H1*    A  23           H1*        A  23  -3.687  12.909   6.351
  245    H8     A  23           H8         A  23  -2.673  11.847   9.622
  246   1H6     A  23          1H6         A  23  -0.826   7.478   8.771
  247   2H6     A  23          2H6         A  23  -0.888   6.398   7.396
  248    H2     A  23           H2         A  23  -3.398   8.428   4.264
  249   1H5*    C  24          1H5*        C  24  -9.765   9.591   7.382
  250   2H5*    C  24          2H5*        C  24  -8.115   9.890   7.967
  251    H4*    C  24           H4*        C  24  -8.682   9.026   5.115
  252    H3*    C  24           H3*        C  24  -8.495   7.364   7.641
  253    H2*    C  24           H2*        C  24  -7.111   5.787   6.554
  254   2HO*    C  24          2HO*        C  24  -7.521   5.325   4.534
  255    H1*    C  24           H1*        C  24  -5.550   7.531   5.136
  256   1H4     C  24          1H4         C  24  -3.268   7.454  11.356
  257   2H4     C  24          2H4         C  24  -2.706   5.942  10.677
  258    H5     C  24           H5         C  24  -4.762   8.947  10.192
  259    H6     C  24           H6         C  24  -6.053   9.303   8.143
  260   1H5*    G  25          1H5*        G  25 -12.506   4.113   7.657
  261   2H5*    G  25          2H5*        G  25 -10.957   4.806   8.182
  262    H4*    G  25           H4*        G  25 -11.244   3.229   5.601
  263    H3*    G  25           H3*        G  25 -10.748   2.266   8.447
  264    H2*    G  25           H2*        G  25  -9.243   0.642   7.570
  265   2HO*    G  25          2HO*        G  25  -9.799   1.469   4.909
  266    H1*    G  25           H1*        G  25  -7.899   2.347   5.938
  267    H8     G  25           H8         G  25  -8.521   4.660   8.661
  268    H1     G  25           H1         G  25  -4.872  -0.112  10.797
  269   1H2     G  25          1H2         G  25  -4.836  -1.764   9.314
  270   2H2     G  25          2H2         G  25  -5.714  -1.692   7.803
  271   1H5*    C  26          1H5*        C  26 -11.428  -1.199   6.593
  272   2H5*    C  26          2H5*        C  26 -12.707  -2.207   7.298
  273    H4*    C  26           H4*        C  26 -10.562  -3.428   7.176
  274    H3*    C  26           H3*        C  26 -11.672  -2.718   9.917
  275    H2*    C  26           H2*        C  26  -9.893  -3.972  10.891
  276   2HO*    C  26          2HO*        C  26  -8.395  -5.089   9.347
  277    H1*    C  26           H1*        C  26  -7.913  -2.962   9.287
  278   1H4     C  26          1H4         C  26  -8.656   0.528  14.658
  279   2H4     C  26          2H4         C  26  -9.034   1.869  13.607
  280    H5     C  26           H5         C  26  -9.576   1.572  11.252
  281    H6     C  26           H6         C  26  -9.521  -0.011   9.384
  282   1H5*    U  27          1H5*        U  27 -11.777  -6.976  10.217
  283   2H5*    U  27          2H5*        U  27 -13.045  -7.463  11.359
  284    H4*    U  27           H4*        U  27 -10.592  -7.686  12.139
  285    H3*    U  27           H3*        U  27 -12.812  -6.299  13.676
  286    H2*    U  27           H2*        U  27 -11.308  -5.736  15.388
  287   2HO*    U  27          2HO*        U  27 -10.493  -7.919  15.568
  288    H1*    U  27           H1*        U  27  -9.000  -5.428  13.815
  289    H3     U  27           H3         U  27  -9.704  -1.524  16.067
  290    H5     U  27           H5         U  27 -12.464  -1.453  12.885
  291    H6     U  27           H6         U  27 -11.870  -3.754  12.402
  292   1H5*    C  28          1H5*        C  28 -14.613  -7.985  17.390
  293   2H5*    C  28          2H5*        C  28 -14.638  -6.220  17.205
  294    H4*    C  28           H4*        C  28 -12.456  -7.968  18.371
  295    H3*    C  28           H3*        C  28 -14.226  -5.702  19.318
  296    H2*    C  28           H2*        C  28 -12.487  -4.781  20.590
  297   2HO*    C  28          2HO*        C  28 -11.093  -7.268  20.359
  298    H1*    C  28           H1*        C  28 -10.326  -5.500  18.969
  299   1H4     C  28          1H4         C  28 -11.329   0.761  18.356
  300   2H4     C  28          2H4         C  28 -12.557   0.468  17.149
  301    H5     C  28           H5         C  28 -13.192  -1.770  16.442
  302    H6     C  28           H6         C  28 -12.950  -4.160  16.927
  303   1H5*    C  29          1H5*        C  29 -13.039  -7.376  23.104
  304   2H5*    C  29          2H5*        C  29 -14.492  -7.661  24.082
  305    H4*    C  29           H4*        C  29 -12.927  -6.157  25.250
  306    H3*    C  29           H3*        C  29 -15.573  -5.068  24.268
  307    H2*    C  29           H2*        C  29 -15.088  -2.949  25.132
  308   2HO*    C  29          2HO*        C  29 -14.311  -3.211  27.132
  309    H1*    C  29           H1*        C  29 -12.410  -2.884  24.478
  310   1H4     C  29          1H4         C  29 -15.883  -1.166  19.108
  311   2H4     C  29          2H4         C  29 -15.508   0.333  19.929
  312    H5     C  29           H5         C  29 -15.363  -3.333  20.017
  313    H6     C  29           H6         C  29 -14.376  -4.534  21.909
  314    H3T    C  29           H3T        C  29 -16.132  -5.501  26.327
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1 -12.417  12.066  20.130
    2   2H5*    G   1          2H5*        G   1 -13.824  11.029  19.815
    3    H4*    G   1           H4*        G   1 -12.853  11.535  22.640
    4    H3*    G   1           H3*        G   1 -11.709   9.649  20.555
    5    H2*    G   1           H2*        G   1 -11.557   7.926  22.197
    6   2HO*    G   1          2HO*        G   1 -10.782   9.558  23.832
    7    H1*    G   1           H1*        G   1 -13.964   8.336  23.397
    8    H8     G   1           H8         G   1 -14.601   8.891  19.768
    9    H1     G   1           H1         G   1 -13.790   2.713  21.096
   10   1H2     G   1          1H2         G   1 -13.039   2.459  23.106
   11   2H2     G   1          2H2         G   1 -12.638   3.781  24.165
   12    H5T    G   1           H5T        G   1 -13.768  13.576  20.576
   13   1H5*    G   2          1H5*        G   2  -8.506   9.468  23.896
   14   2H5*    G   2          2H5*        G   2  -7.055   9.063  22.956
   15    H4*    G   2           H4*        G   2  -7.970   7.362  24.741
   16    H3*    G   2           H3*        G   2  -7.016   6.735  21.925
   17    H2*    G   2           H2*        G   2  -7.432   4.445  22.329
   18   2HO*    G   2          2HO*        G   2  -7.217   5.237  25.030
   19    H1*    G   2           H1*        G   2  -9.744   4.752  23.839
   20    H8     G   2           H8         G   2 -10.435   6.908  20.986
   21    H1     G   2           H1         G   2 -10.107   0.830  19.096
   22   1H2     G   2          1H2         G   2  -8.663   0.260  22.221
   23   2H2     G   2          2H2         G   2  -9.189  -0.413  20.694
   24   1H5*    A   3          1H5*        A   3  -5.450   3.569  24.724
   25   2H5*    A   3          2H5*        A   3  -3.705   3.864  24.584
   26    H4*    A   3           H4*        A   3  -4.004   1.493  24.435
   27    H3*    A   3           H3*        A   3  -3.498   2.874  21.783
   28    H2*    A   3           H2*        A   3  -3.610   0.791  20.663
   29   2HO*    A   3          2HO*        A   3  -2.517  -0.142  22.839
   30    H1*    A   3           H1*        A   3  -5.737  -0.258  22.043
   31    H8     A   3           H8         A   3  -5.956   3.482  21.212
   32   1H6     A   3          1H6         A   3  -8.179   3.137  16.942
   33   2H6     A   3          2H6         A   3  -8.615   1.780  15.927
   34    H2     A   3           H2         A   3  -7.223  -1.930  18.046
   35   1H5*    G   4          1H5*        G   4  -0.027   0.529  19.323
   36   2H5*    G   4          2H5*        G   4  -1.655   1.226  19.441
   37    H4*    G   4           H4*        G   4  -1.285  -1.713  19.987
   38    H3*    G   4           H3*        G   4  -1.127  -0.343  17.285
   39    H2*    G   4           H2*        G   4  -2.448  -2.052  16.335
   40   2HO*    G   4          2HO*        G   4  -2.465  -3.514  18.776
   41    H1*    G   4           H1*        G   4  -4.314  -2.191  18.352
   42    H8     G   4           H8         G   4  -3.857   1.394  18.331
   43    H1     G   4           H1         G   4  -6.542  -0.482  12.863
   44   1H2     G   4          1H2         G   4  -5.552  -3.680  13.833
   45   2H2     G   4          2H2         G   4  -6.349  -2.681  12.639
   46   1H5*    U   5          1H5*        U   5   0.220  -3.964  16.222
   47   2H5*    U   5          2H5*        U   5   1.606  -3.994  15.112
   48    H4*    U   5           H4*        U   5  -0.420  -4.812  13.980
   49    H3*    U   5           H3*        U   5   0.724  -2.133  13.109
   50    H2*    U   5           H2*        U   5  -0.947  -1.986  11.432
   51   2HO*    U   5          2HO*        U   5  -0.634  -4.400  10.998
   52    H1*    U   5           H1*        U   5  -3.041  -2.969  12.952
   53    H3     U   5           H3         U   5  -4.063   1.419  12.420
   54    H5     U   5           H5         U   5  -1.111   1.354  15.426
   55    H6     U   5           H6         U   5  -0.689  -0.967  14.865
   56   1H5*    G   6          1H5*        G   6   0.792  -3.741   9.763
   57   2H5*    G   6          2H5*        G   6   2.316  -4.266   9.021
   58    H4*    G   6           H4*        G   6   1.522  -2.940   7.326
   59    H3*    G   6           H3*        G   6   3.616  -1.722   8.662
   60    H2*    G   6           H2*        G   6   2.159  -0.373  10.059
   61   2HO*    G   6          2HO*        G   6   2.199   1.412   7.889
   62    H1*    G   6           H1*        G   6   0.560   0.215   7.601
   63    H8     G   6           H8         G   6   0.393  -0.273  11.475
   64    H1     G   6           H1         G   6  -3.735   3.951   9.125
   65   1H2     G   6          1H2         G   6  -3.794   3.883   6.991
   66   2H2     G   6          2H2         G   6  -2.818   2.826   6.020
   67   1H5*    C   7          1H5*        C   7   4.998  -0.287   2.918
   68   2H5*    C   7          2H5*        C   7   5.163   0.801   4.310
   69    H4*    C   7           H4*        C   7   2.500   0.212   2.982
   70    H3*    C   7           H3*        C   7   4.515   1.531   1.669
   71    H2*    C   7           H2*        C   7   4.792   3.265   3.242
   72   2HO*    C   7          2HO*        C   7   2.663   4.074   1.504
   73    H1*    C   7           H1*        C   7   1.830   3.461   3.808
   74   1H4     C   7          1H4         C   7   5.209   7.042   8.013
   75   2H4     C   7          2H4         C   7   5.484   5.574   8.924
   76    H5     C   7           H5         C   7   4.833   3.390   8.137
   77    H6     C   7           H6         C   7   3.737   2.152   6.311
   78   1H5*    U   8          1H5*        U   8   0.654   0.802   1.060
   79   2H5*    U   8          2H5*        U   8  -0.151  -0.010  -0.298
   80    H4*    U   8           H4*        U   8  -1.658   1.769  -0.634
   81    H3*    U   8           H3*        U   8   0.402   3.454   0.836
   82    H2*    U   8           H2*        U   8  -1.339   4.879   1.580
   83   2HO*    U   8          2HO*        U   8  -2.463   5.125  -0.367
   84    H1*    U   8           H1*        U   8  -3.210   2.923   2.100
   85    H3     U   8           H3         U   8  -1.489   5.310   5.748
   86    H5     U   8           H5         U   8   0.650   1.693   5.473
   87    H6     U   8           H6         U   8  -0.390   1.316   3.314
   88   1H5*    U   9          1H5*        U   9  -2.343   6.665  -1.880
   89   2H5*    U   9          2H5*        U   9  -0.915   7.667  -2.208
   90    H4*    U   9           H4*        U   9  -2.993   8.785  -1.099
   91    H3*    U   9           H3*        U   9  -0.095   9.061  -0.284
   92    H2*    U   9           H2*        U   9  -0.664  10.353   1.576
   93   2HO*    U   9          2HO*        U   9  -3.122  10.842   0.209
   94    H1*    U   9           H1*        U   9  -3.105   9.169   2.216
   95    H3     U   9           H3         U   9  -0.304   8.706   5.790
   96    H5     U   9           H5         U   9   0.780   5.652   3.105
   97    H6     U   9           H6         U   9  -0.631   6.726   1.435
   98   1H5*    C  10          1H5*        C  10   2.632  11.854  -1.153
   99   2H5*    C  10          2H5*        C  10   1.633  10.472  -0.657
  100    H4*    C  10           H4*        C  10   0.258  12.927   0.009
  101    H3*    C  10           H3*        C  10   3.200  12.795   0.707
  102    H2*    C  10           H2*        C  10   2.777  13.278   2.936
  103   2HO*    C  10          2HO*        C  10   1.364  15.172   1.910
  104    H1*    C  10           H1*        C  10   0.020  12.456   3.018
  105   1H4     C  10          1H4         C  10   3.698   7.904   6.079
  106   2H4     C  10          2H4         C  10   3.127   8.965   7.348
  107    H5     C  10           H5         C  10   3.330   8.327   3.742
  108    H6     C  10           H6         C  10   2.380   9.882   2.107
  109   1H5*    A  11          1H5*        A  11   5.728  15.393   1.878
  110   2H5*    A  11          2H5*        A  11   4.443  14.177   2.021
  111    H4*    A  11           H4*        A  11   3.927  16.625   3.589
  112    H3*    A  11           H3*        A  11   6.431  14.963   4.050
  113    H2*    A  11           H2*        A  11   6.101  15.209   6.380
  114   2HO*    A  11          2HO*        A  11   5.440  17.314   6.616
  115    H1*    A  11           H1*        A  11   3.440  14.609   6.346
  116    H8     A  11           H8         A  11   4.463  12.275   3.776
  117   1H6     A  11          1H6         A  11   6.700   8.851   6.353
  118   2H6     A  11          2H6         A  11   7.289   8.793   7.999
  119    H2     A  11           H2         A  11   6.388  12.774   9.861
  120   1H5*    A  12          1H5*        A  12   6.884  18.823   5.932
  121   2H5*    A  12          2H5*        A  12   8.465  19.616   5.768
  122    H4*    A  12           H4*        A  12   7.876  19.435   8.136
  123    H3*    A  12           H3*        A  12  10.123  17.659   7.121
  124    H2*    A  12           H2*        A  12  10.451  16.866   9.329
  125   2HO*    A  12          2HO*        A  12   9.071  19.232  10.022
  126    H1*    A  12           H1*        A  12   7.790  16.672  10.029
  127    H8     A  12           H8         A  12   7.947  15.310   6.601
  128   1H6     A  12          1H6         A  12   9.666  10.884   7.472
  129   2H6     A  12          2H6         A  12  10.384  10.136   8.881
  130    H2     A  12           H2         A  12  10.479  13.256  12.109
  131   1H5*    C  13          1H5*        C  13  11.575  20.105  10.581
  132   2H5*    C  13          2H5*        C  13  13.226  20.646  10.218
  133    H4*    C  13           H4*        C  13  13.173  19.587  12.419
  134    H3*    C  13           H3*        C  13  14.619  18.108  10.196
  135    H2*    C  13           H2*        C  13  15.167  16.358  11.740
  136   2HO*    C  13          2HO*        C  13  14.730  16.682  14.024
  137    H1*    C  13           H1*        C  13  12.759  16.195  12.978
  138   1H4     C  13          1H4         C  13  12.809  11.981   8.172
  139   2H4     C  13          2H4         C  13  12.336  13.240   7.053
  140    H5     C  13           H5         C  13  12.137  15.557   7.683
  141    H6     C  13           H6         C  13  12.335  17.162   9.515
  142   1H5*    A  14          1H5*        A  14  18.916  18.532   9.532
  143   2H5*    A  14          2H5*        A  14  17.191  18.111   9.550
  144    H4*    A  14           H4*        A  14  18.444  18.047  12.217
  145    H3*    A  14           H3*        A  14  19.608  16.429   9.934
  146    H2*    A  14           H2*        A  14  19.601  14.464  11.250
  147   2HO*    A  14          2HO*        A  14  19.526  14.493  13.465
  148    H1*    A  14           H1*        A  14  17.186  14.802  12.492
  149    H8     A  14           H8         A  14  15.635  15.591   9.546
  150   1H6     A  14          1H6         A  14  17.338  10.422   6.673
  151   2H6     A  14          2H6         A  14  16.259  11.800   6.633
  152    H2     A  14           H2         A  14  19.902  10.884  10.334
  153   1H5*    G  15          1H5*        G  15  23.913  14.378  10.469
  154   2H5*    G  15          2H5*        G  15  23.368  15.433   9.149
  155    H4*    G  15           H4*        G  15  21.554  13.172   9.713
  156    H3*    G  15           H3*        G  15  24.109  12.327   9.918
  157    H2*    G  15           H2*        G  15  25.040  13.193   7.953
  158   2HO*    G  15          2HO*        G  15  25.226  11.552   6.554
  159    H1*    G  15           H1*        G  15  22.727  12.841   6.163
  160    H8     G  15           H8         G  15  25.705  13.914   5.917
  161    H1     G  15           H1         G  15  22.490  19.413   5.799
  162   1H2     G  15          1H2         G  15  20.446  19.107   6.609
  163   2H2     G  15          2H2         G  15  19.879  17.548   7.165
  164   1H5*    U  16          1H5*        U  16  23.221   8.047   6.754
  165   2H5*    U  16          2H5*        U  16  22.672   9.714   7.018
  166    H4*    U  16           H4*        U  16  21.202   7.712   8.620
  167    H3*    U  16           H3*        U  16  21.717   6.724   6.119
  168    H2*    U  16           H2*        U  16  20.937   8.634   4.903
  169   2HO*    U  16          2HO*        U  16  18.945   6.683   5.263
  170    H1*    U  16           H1*        U  16  18.526   8.847   6.710
  171    H3     U  16           H3         U  16  17.817  11.916   3.283
  172    H5     U  16           H5         U  16  20.683  13.605   5.868
  173    H6     U  16           H6         U  16  20.846  11.459   6.987
  174   1H5*    G  17          1H5*        G  17  21.511   4.672  10.917
  175   2H5*    G  17          2H5*        G  17  19.820   4.340  10.496
  176    H4*    G  17           H4*        G  17  20.917   6.262  12.424
  177    H3*    G  17           H3*        G  17  18.874   4.424  12.325
  178    H2*    G  17           H2*        G  17  17.085   5.693  11.477
  179   2HO*    G  17          2HO*        G  17  16.343   7.296  13.059
  180    H1*    G  17           H1*        G  17  18.168   8.360  12.202
  181    H8     G  17           H8         G  17  17.973   6.297   8.922
  182    H1     G  17           H1         G  17  14.144  11.387   9.158
  183   1H2     G  17          1H2         G  17  15.424  11.810  12.372
  184   2H2     G  17          2H2         G  17  14.343  12.392  11.127
  185   1H5*    C  18          1H5*        C  18  16.485   2.930  15.337
  186   2H5*    C  18          2H5*        C  18  16.627   2.109  13.770
  187    H4*    C  18           H4*        C  18  15.963   5.056  14.130
  188    H3*    C  18           H3*        C  18  14.203   3.005  14.675
  189    H2*    C  18           H2*        C  18  14.325   1.958  12.527
  190   2HO*    C  18          2HO*        C  18  12.456   2.607  11.404
  191    H1*    C  18           H1*        C  18  14.320   4.671  11.182
  192   1H4     C  18          1H4         C  18  17.161   0.490   6.935
  193   2H4     C  18          2H4         C  18  15.469   0.407   6.500
  194    H5     C  18           H5         C  18  17.970   1.663   8.876
  195    H6     C  18           H6         C  18  17.335   3.032  10.807
  196   1H5*    U  19          1H5*        U  19  14.805   5.968  15.318
  197   2H5*    U  19          2H5*        U  19  14.932   5.933  17.085
  198    H4*    U  19           H4*        U  19  14.663   8.164  17.144
  199    H3*    U  19           H3*        U  19  12.026   7.451  15.832
  200    H2*    U  19           H2*        U  19  11.696   9.683  15.186
  201   2HO*    U  19          2HO*        U  19  12.402  11.349  16.357
  202    H1*    U  19           H1*        U  19  14.365  10.373  14.711
  203    H3     U  19           H3         U  19  11.327  10.628  11.106
  204    H5     U  19           H5         U  19  13.595   7.095  10.739
  205    H6     U  19           H6         U  19  14.362   7.425  13.015
  206   1H5*    U  20          1H5*        U  20   8.260   7.829  16.748
  207   2H5*    U  20          2H5*        U  20   9.835   7.889  15.930
  208    H4*    U  20           H4*        U  20   8.962  10.558  16.729
  209    H3*    U  20           H3*        U  20   7.025   8.798  15.202
  210    H2*    U  20           H2*        U  20   6.595  10.516  13.673
  211   2HO*    U  20          2HO*        U  20   6.229  12.203  15.123
  212    H1*    U  20           H1*        U  20   9.161  11.599  13.541
  213    H3     U  20           H3         U  20   7.580   9.816   9.552
  214    H5     U  20           H5         U  20   9.747   6.769  11.490
  215    H6     U  20           H6         U  20   9.805   8.165  13.476
  216   1H5*    G  21          1H5*        G  21   4.608  12.806  17.080
  217   2H5*    G  21          2H5*        G  21   3.019  12.023  17.197
  218    H4*    G  21           H4*        G  21   3.056  14.312  16.060
  219    H3*    G  21           H3*        G  21   1.929  11.805  14.764
  220    H2*    G  21           H2*        G  21   1.273  13.114  12.881
  221   2HO*    G  21          2HO*        G  21   0.824  14.987  14.559
  222    H1*    G  21           H1*        G  21   3.598  14.519  12.643
  223    H8     G  21           H8         G  21   4.648  11.118  13.731
  224    H1     G  21           H1         G  21   2.707  11.121   7.661
  225   1H2     G  21          1H2         G  21   1.510  14.320   8.360
  226   2H2     G  21          2H2         G  21   1.702  13.040   7.182
  227   1H5*    G  22          1H5*        G  22  -2.078  14.291  15.281
  228   2H5*    G  22          2H5*        G  22  -3.253  13.060  14.778
  229    H4*    G  22           H4*        G  22  -2.565  15.194  13.238
  230    H3*    G  22           H3*        G  22  -3.317  12.368  12.381
  231    H2*    G  22           H2*        G  22  -3.273  13.186  10.150
  232   2HO*    G  22          2HO*        G  22  -4.115  15.416  11.186
  233    H1*    G  22           H1*        G  22  -0.939  14.672  10.506
  234    H8     G  22           H8         G  22   0.145  11.653  12.118
  235    H1     G  22           H1         G  22  -0.994  10.518   5.949
  236   1H2     G  22          1H2         G  22  -2.163  12.182   5.073
  237   2H2     G  22          2H2         G  22  -2.678  13.563   6.014
  238   1H5*    A  23          1H5*        A  23  -7.903  12.310  10.223
  239   2H5*    A  23          2H5*        A  23  -6.626  11.092  10.416
  240    H4*    A  23           H4*        A  23  -7.133  12.941   8.068
  241    H3*    A  23           H3*        A  23  -7.066   9.954   8.562
  242    H2*    A  23           H2*        A  23  -6.163   9.574   6.422
  243   2HO*    A  23          2HO*        A  23  -6.533  10.874   4.756
  244    H1*    A  23           H1*        A  23  -4.426  11.707   6.338
  245    H8     A  23           H8         A  23  -3.461  10.813   9.615
  246   1H6     A  23          1H6         A  23  -1.196   6.584   8.994
  247   2H6     A  23          2H6         A  23  -1.129   5.450   7.664
  248    H2     A  23           H2         A  23  -3.726   7.119   4.395
  249   1H5*    C  24          1H5*        C  24  -9.238   9.510   4.738
  250   2H5*    C  24          2H5*        C  24 -10.488   8.353   5.239
  251    H4*    C  24           H4*        C  24  -8.941   7.467   3.469
  252    H3*    C  24           H3*        C  24  -9.179   6.131   6.187
  253    H2*    C  24           H2*        C  24  -7.628   4.468   5.491
  254   2HO*    C  24          2HO*        C  24  -8.512   5.249   2.964
  255    H1*    C  24           H1*        C  24  -5.884   6.108   4.175
  256   1H4     C  24          1H4         C  24  -4.711   6.574  10.696
  257   2H4     C  24          2H4         C  24  -3.824   5.155  10.186
  258    H5     C  24           H5         C  24  -6.123   7.848   9.221
  259    H6     C  24           H6         C  24  -7.127   7.952   6.992
  260   1H5*    G  25          1H5*        G  25 -12.053   2.617   6.664
  261   2H5*    G  25          2H5*        G  25 -10.708   3.773   6.758
  262    H4*    G  25           H4*        G  25 -10.794   1.964   4.370
  263    H3*    G  25           H3*        G  25 -10.282   1.037   7.224
  264    H2*    G  25           H2*        G  25  -8.519  -0.335   6.420
  265   2HO*    G  25          2HO*        G  25  -8.216  -0.151   3.935
  266    H1*    G  25           H1*        G  25  -7.369   1.540   4.822
  267    H8     G  25           H8         G  25  -8.321   3.796   7.464
  268    H1     G  25           H1         G  25  -4.328  -0.550   9.875
  269   1H2     G  25          1H2         G  25  -4.910  -2.286   6.906
  270   2H2     G  25          2H2         G  25  -4.086  -2.234   8.448
  271   1H5*    C  26          1H5*        C  26 -10.372  -2.495   5.459
  272   2H5*    C  26          2H5*        C  26 -11.551  -3.653   6.106
  273    H4*    C  26           H4*        C  26  -9.358  -4.651   6.300
  274    H3*    C  26           H3*        C  26 -10.630  -3.660   8.865
  275    H2*    C  26           H2*        C  26  -8.730  -4.311  10.115
  276   2HO*    C  26          2HO*        C  26  -7.019  -5.563   8.975
  277    H1*    C  26           H1*        C  26  -6.801  -3.481   8.358
  278   1H4     C  26          1H4         C  26  -8.969   1.927  11.489
  279   2H4     C  26          2H4         C  26  -7.766   1.243  12.558
  280    H5     C  26           H5         C  26  -9.714   0.842   9.474
  281    H6     C  26           H6         C  26  -9.497  -1.149   8.068
  282   1H5*    U  27          1H5*        U  27 -12.487  -6.367  11.855
  283   2H5*    U  27          2H5*        U  27 -12.320  -4.647  12.264
  284    H4*    U  27           H4*        U  27 -10.283  -6.870  12.565
  285    H3*    U  27           H3*        U  27 -11.718  -4.914  14.374
  286    H2*    U  27           H2*        U  27  -9.806  -4.686  15.738
  287   2HO*    U  27          2HO*        U  27  -8.305  -6.671  14.442
  288    H1*    U  27           H1*        U  27  -7.890  -4.696  13.773
  289    H3     U  27           H3         U  27  -8.393  -0.613  15.952
  290    H5     U  27           H5         U  27 -10.797  -0.472  12.497
  291    H6     U  27           H6         U  27 -10.423  -2.850  12.217
  292   1H5*    C  28          1H5*        C  28 -13.649  -6.836  18.504
  293   2H5*    C  28          2H5*        C  28 -13.267  -5.581  17.307
  294    H4*    C  28           H4*        C  28 -11.139  -7.050  18.908
  295    H3*    C  28           H3*        C  28 -12.805  -4.614  19.590
  296    H2*    C  28           H2*        C  28 -10.895  -3.467  20.379
  297   2HO*    C  28          2HO*        C  28 -10.104  -5.418  21.514
  298    H1*    C  28           H1*        C  28  -9.124  -4.247  18.442
  299   1H4     C  28          1H4         C  28 -12.664   0.568  15.656
  300   2H4     C  28          2H4         C  28 -11.795   1.411  16.919
  301    H5     C  28           H5         C  28 -12.650  -1.827  15.420
  302    H6     C  28           H6         C  28 -11.822  -3.934  16.353
  303   1H5*    C  29          1H5*        C  29 -10.336  -4.944  23.656
  304   2H5*    C  29          2H5*        C  29 -11.787  -5.406  24.569
  305    H4*    C  29           H4*        C  29 -10.675  -3.576  25.723
  306    H3*    C  29           H3*        C  29 -13.264  -2.931  24.296
  307    H2*    C  29           H2*        C  29 -13.155  -0.703  25.015
  308   2HO*    C  29          2HO*        C  29 -11.639  -0.053  26.650
  309    H1*    C  29           H1*        C  29 -10.433  -0.360  24.711
  310   1H4     C  29          1H4         C  29 -13.372   0.518  18.830
  311   2H4     C  29          2H4         C  29 -13.189   2.118  19.515
  312    H5     C  29           H5         C  29 -12.789  -1.496  20.006
  313    H6     C  29           H6         C  29 -11.960  -2.428  22.115
  314    H3T    C  29           H3T        C  29 -12.587  -2.990  27.067
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1 -14.466  10.270  22.153
    2   2H5*    G   1          2H5*        G   1 -15.246  11.262  23.402
    3    H4*    G   1           H4*        G   1 -13.898  10.125  25.144
    4    H3*    G   1           H3*        G   1 -12.667   8.784  22.716
    5    H2*    G   1           H2*        G   1 -12.564   6.718  23.888
    6   2HO*    G   1          2HO*        G   1 -11.851   7.072  25.887
    7    H1*    G   1           H1*        G   1 -15.012   6.829  25.084
    8    H8     G   1           H8         G   1 -15.628   8.229  21.711
    9    H1     G   1           H1         G   1 -14.627   1.944  21.480
   10   1H2     G   1          1H2         G   1 -13.864   1.226  23.371
   11   2H2     G   1          2H2         G   1 -13.511   2.255  24.728
   12    H5T    G   1           H5T        G   1 -12.475  11.268  23.390
   13   1H5*    G   2          1H5*        G   2  -9.953   7.976  26.447
   14   2H5*    G   2          2H5*        G   2  -8.319   7.923  25.756
   15    H4*    G   2           H4*        G   2  -9.092   5.883  27.139
   16    H3*    G   2           H3*        G   2  -7.897   5.750  24.349
   17    H2*    G   2           H2*        G   2  -8.034   3.383  24.432
   18   2HO*    G   2          2HO*        G   2  -7.868   3.849  27.145
   19    H1*    G   2           H1*        G   2 -10.494   3.208  25.668
   20    H8     G   2           H8         G   2 -11.038   5.841  23.171
   21    H1     G   2           H1         G   2 -10.228   0.193  20.336
   22   1H2     G   2          1H2         G   2  -9.074  -0.863  23.452
   23   2H2     G   2          2H2         G   2  -9.414  -1.278  21.787
   24   1H5*    A   3          1H5*        A   3  -5.842   2.819  26.471
   25   2H5*    A   3          2H5*        A   3  -4.091   3.060  26.308
   26    H4*    A   3           H4*        A   3  -4.567   0.794  25.633
   27    H3*    A   3           H3*        A   3  -4.148   2.677  23.277
   28    H2*    A   3           H2*        A   3  -4.108   0.753  21.894
   29   2HO*    A   3          2HO*        A   3  -4.169  -1.354  22.727
   30    H1*    A   3           H1*        A   3  -6.350  -0.370  23.056
   31    H8     A   3           H8         A   3  -6.671   3.411  22.849
   32   1H6     A   3          1H6         A   3  -8.486   3.772  18.388
   33   2H6     A   3          2H6         A   3  -8.720   2.617  17.095
   34    H2     A   3           H2         A   3  -7.216  -1.343  18.601
   35   1H5*    G   4          1H5*        G   4  -0.121   0.084  22.247
   36   2H5*    G   4          2H5*        G   4  -1.689   0.917  22.303
   37    H4*    G   4           H4*        G   4  -1.580  -2.010  21.561
   38    H3*    G   4           H3*        G   4  -0.989   0.350  19.711
   39    H2*    G   4           H2*        G   4  -1.980  -0.986  17.984
   40   2HO*    G   4          2HO*        G   4  -2.754  -3.208  18.796
   41    H1*    G   4           H1*        G   4  -4.128  -1.779  19.559
   42    H8     G   4           H8         G   4  -3.641   1.776  20.414
   43    H1     G   4           H1         G   4  -6.001   1.096  14.534
   44   1H2     G   4          1H2         G   4  -5.128  -2.259  14.918
   45   2H2     G   4          2H2         G   4  -5.829  -1.027  13.894
   46   1H5*    U   5          1H5*        U   5   0.018  -3.298  17.626
   47   2H5*    U   5          2H5*        U   5   1.551  -3.035  16.775
   48    H4*    U   5           H4*        U   5  -0.314  -3.846  15.292
   49    H3*    U   5           H3*        U   5   0.977  -1.143  14.784
   50    H2*    U   5           H2*        U   5  -0.320  -0.972  12.809
   51   2HO*    U   5          2HO*        U   5  -0.151  -2.883  11.789
   52    H1*    U   5           H1*        U   5  -2.631  -2.166  13.868
   53    H3     U   5           H3         U   5  -3.930   2.062  12.870
   54    H5     U   5           H5         U   5  -1.684   2.430  16.414
   55    H6     U   5           H6         U   5  -0.903   0.161  16.076
   56   1H5*    G   6          1H5*        G   6   3.670   0.177  13.541
   57   2H5*    G   6          2H5*        G   6   2.068  -0.554  13.334
   58    H4*    G   6           H4*        G   6   3.529  -0.995  10.921
   59    H3*    G   6           H3*        G   6   4.654   1.254  12.056
   60    H2*    G   6           H2*        G   6   2.598   2.467  12.269
   61   2HO*    G   6          2HO*        G   6   4.077   3.062  10.008
   62    H1*    G   6           H1*        G   6   1.806   1.511   9.517
   63    H8     G   6           H8         G   6   0.332   1.838  13.104
   64    H1     G   6           H1         G   6  -3.147   4.549   8.499
   65   1H2     G   6          1H2         G   6  -0.668   3.370   6.351
   66   2H2     G   6          2H2         G   6  -2.175   4.241   6.529
   67   1H5*    C   7          1H5*        C   7   7.136   0.425   6.507
   68   2H5*    C   7          2H5*        C   7   7.070   1.876   7.529
   69    H4*    C   7           H4*        C   7   4.704   0.525   6.165
   70    H3*    C   7           H3*        C   7   6.510   2.220   4.961
   71    H2*    C   7           H2*        C   7   6.207   3.954   6.597
   72   2HO*    C   7          2HO*        C   7   5.510   5.533   5.321
   73    H1*    C   7           H1*        C   7   3.223   3.513   6.467
   74   1H4     C   7          1H4         C   7   3.319   7.728  11.223
   75   2H4     C   7          2H4         C   7   4.967   7.313  11.640
   76    H5     C   7           H5         C   7   6.240   5.634  10.475
   77    H6     C   7           H6         C   7   6.209   3.986   8.664
   78   1H5*    U   8          1H5*        U   8   3.772   0.344   0.437
   79   2H5*    U   8          2H5*        U   8   4.543   1.930   0.234
   80    H4*    U   8           H4*        U   8   2.203   1.364  -0.915
   81    H3*    U   8           H3*        U   8   3.156   3.954   0.347
   82    H2*    U   8           H2*        U   8   1.059   4.954  -0.147
   83   2HO*    U   8          2HO*        U   8   0.747   2.718  -1.883
   84    H1*    U   8           H1*        U   8  -0.521   2.854   0.595
   85    H3     U   8           H3         U   8  -0.752   6.411   3.551
   86    H5     U   8           H5         U   8   2.361   3.939   4.925
   87    H6     U   8           H6         U   8   2.200   2.678   2.876
   88   1H5*    U   9          1H5*        U   9   1.347   5.554  -3.040
   89   2H5*    U   9          2H5*        U   9   2.436   6.800  -3.683
   90    H4*    U   9           H4*        U   9   0.267   7.754  -2.935
   91    H3*    U   9           H3*        U   9   2.861   8.538  -1.593
   92    H2*    U   9           H2*        U   9   1.727   9.913  -0.066
   93   2HO*    U   9          2HO*        U   9  -0.625  10.342  -0.480
   94    H1*    U   9           H1*        U   9  -0.516   8.352   0.339
   95    H3     U   9           H3         U   9   1.817   8.531   4.260
   96    H5     U   9           H5         U   9   3.826   5.673   1.908
   97    H6     U   9           H6         U   9   2.439   6.363   0.030
   98   1H5*    C  10          1H5*        C  10   2.697  13.986  -2.818
   99   2H5*    C  10          2H5*        C  10   3.759  13.013  -1.781
  100    H4*    C  10           H4*        C  10   1.221  14.486  -1.050
  101    H3*    C  10           H3*        C  10   4.108  14.426  -0.146
  102    H2*    C  10           H2*        C  10   3.502  14.622   2.090
  103   2HO*    C  10          2HO*        C  10   1.473  15.685   2.663
  104    H1*    C  10           H1*        C  10   0.797  13.667   1.872
  105   1H4     C  10          1H4         C  10   3.589   9.749   5.972
  106   2H4     C  10          2H4         C  10   4.501   8.977   4.708
  107    H5     C  10           H5         C  10   4.354   9.695   2.373
  108    H6     C  10           H6         C  10   3.466  11.418   0.868
  109   1H5*    A  11          1H5*        A  11   6.192  17.403   1.750
  110   2H5*    A  11          2H5*        A  11   5.251  15.900   1.682
  111    H4*    A  11           H4*        A  11   4.220  18.049   3.490
  112    H3*    A  11           H3*        A  11   6.818  16.527   3.926
  113    H2*    A  11           H2*        A  11   6.285  16.396   6.235
  114   2HO*    A  11          2HO*        A  11   3.881  17.856   5.865
  115    H1*    A  11           H1*        A  11   3.724  15.567   5.860
  116    H8     A  11           H8         A  11   5.151  13.819   3.039
  117   1H6     A  11          1H6         A  11   7.727  10.326   5.141
  118   2H6     A  11          2H6         A  11   8.248  10.050   6.789
  119    H2     A  11           H2         A  11   6.719  13.487   9.236
  120   1H5*    A  12          1H5*        A  12   6.992  19.747   6.584
  121   2H5*    A  12          2H5*        A  12   8.550  20.588   6.705
  122    H4*    A  12           H4*        A  12   7.956  19.702   8.891
  123    H3*    A  12           H3*        A  12  10.216  18.279   7.436
  124    H2*    A  12           H2*        A  12  10.519  16.919   9.394
  125   2HO*    A  12          2HO*        A  12   9.175  19.044  10.596
  126    H1*    A  12           H1*        A  12   7.894  16.374   9.774
  127    H8     A  12           H8         A  12   8.196  16.458   6.083
  128   1H6     A  12          1H6         A  12  10.164  12.137   5.235
  129   2H6     A  12          2H6         A  12  10.884  10.925   6.270
  130    H2     A  12           H2         A  12  10.684  12.517  10.469
  131   1H5*    C  13          1H5*        C  13  12.000  19.644  11.064
  132   2H5*    C  13          2H5*        C  13  13.679  20.173  10.837
  133    H4*    C  13           H4*        C  13  13.555  18.279  12.409
  134    H3*    C  13           H3*        C  13  14.934  17.936   9.736
  135    H2*    C  13           H2*        C  13  15.335  15.628  10.180
  136   2HO*    C  13          2HO*        C  13  14.501  15.865  12.875
  137    H1*    C  13           H1*        C  13  12.985  15.017  11.442
  138   1H4     C  13          1H4         C  13  12.556  13.273   5.304
  139   2H4     C  13          2H4         C  13  11.984  14.875   4.897
  140    H5     C  13           H5         C  13  11.891  16.692   6.491
  141    H6     C  13           H6         C  13  12.293  17.342   8.807
  142   1H5*    A  14          1H5*        A  14  17.923  16.137  12.124
  143   2H5*    A  14          2H5*        A  14  19.443  16.404  11.245
  144    H4*    A  14           H4*        A  14  18.378  14.001  11.267
  145    H3*    A  14           H3*        A  14  19.342  15.471   8.759
  146    H2*    A  14           H2*        A  14  18.826  13.541   7.523
  147   2HO*    A  14          2HO*        A  14  19.738  11.827   8.405
  148    H1*    A  14           H1*        A  14  16.731  12.634   9.217
  149    H8     A  14           H8         A  14  15.761  15.959   8.018
  150   1H6     A  14          1H6         A  14  14.420  13.558   2.518
  151   2H6     A  14          2H6         A  14  14.258  14.961   3.549
  152    H2     A  14           H2         A  14  16.724  10.487   4.853
  153   1H5*    G  15          1H5*        G  15  22.721  14.350   6.359
  154   2H5*    G  15          2H5*        G  15  21.690  15.691   5.819
  155    H4*    G  15           H4*        G  15  20.581  12.982   6.598
  156    H3*    G  15           H3*        G  15  22.210  13.326   4.383
  157    H2*    G  15           H2*        G  15  20.882  14.845   3.201
  158   2HO*    G  15          2HO*        G  15  19.263  13.527   1.957
  159    H1*    G  15           H1*        G  15  18.312  13.611   4.138
  160    H8     G  15           H8         G  15  19.046  15.523   1.748
  161    H1     G  15           H1         G  15  16.742  19.782   5.887
  162   1H2     G  15          1H2         G  15  16.731  18.912   7.928
  163   2H2     G  15          2H2         G  15  17.279  17.285   8.258
  164   1H5*    U  16          1H5*        U  16  19.156  10.395   4.399
  165   2H5*    U  16          2H5*        U  16  19.402   9.159   5.647
  166    H4*    U  16           H4*        U  16  18.545   7.493   4.352
  167    H3*    U  16           H3*        U  16  20.502   8.208   2.526
  168    H2*    U  16           H2*        U  16  19.268   9.868   1.369
  169   2HO*    U  16          2HO*        U  16  18.579   8.949  -0.520
  170    H1*    U  16           H1*        U  16  16.723   8.263   1.585
  171    H3     U  16           H3         U  16  14.085  11.601   0.208
  172    H5     U  16           H5         U  16  17.505  13.648   1.573
  173    H6     U  16           H6         U  16  18.444  11.512   2.233
  174   1H5*    G  17          1H5*        G  17  18.291   3.817   4.364
  175   2H5*    G  17          2H5*        G  17  17.675   5.425   3.934
  176    H4*    G  17           H4*        G  17  18.974   4.951   6.629
  177    H3*    G  17           H3*        G  17  16.833   3.441   5.856
  178    H2*    G  17           H2*        G  17  15.039   4.965   5.869
  179   2HO*    G  17          2HO*        G  17  14.508   5.681   8.057
  180    H1*    G  17           H1*        G  17  16.221   7.016   7.608
  181    H8     G  17           H8         G  17  15.728   6.418   3.800
  182    H1     G  17           H1         G  17  12.911  11.635   6.149
  183   1H2     G  17          1H2         G  17  14.305  10.637   9.186
  184   2H2     G  17          2H2         G  17  13.330  11.807   8.323
  185   1H5*    C  18          1H5*        C  18  14.288   1.009   7.433
  186   2H5*    C  18          2H5*        C  18  15.150   2.278   6.539
  187    H4*    C  18           H4*        C  18  13.748   3.740   8.407
  188    H3*    C  18           H3*        C  18  12.497   1.283   8.633
  189    H2*    C  18           H2*        C  18  11.721   1.122   6.391
  190   2HO*    C  18          2HO*        C  18   9.764   2.886   7.502
  191    H1*    C  18           H1*        C  18  11.100   4.074   6.287
  192   1H4     C  18          1H4         C  18  12.297   2.105   0.095
  193   2H4     C  18          2H4         C  18  10.557   1.990   0.238
  194    H5     C  18           H5         C  18  13.746   2.592   1.955
  195    H6     C  18           H6         C  18  13.844   3.083   4.353
  196   1H5*    U  19          1H5*        U  19  13.206   3.749  10.173
  197   2H5*    U  19          2H5*        U  19  13.947   3.176  11.676
  198    H4*    U  19           H4*        U  19  13.649   5.179  12.723
  199    H3*    U  19           H3*        U  19  10.936   5.169  11.358
  200    H2*    U  19           H2*        U  19  10.783   7.482  11.621
  201   2HO*    U  19          2HO*        U  19  12.514   8.519  13.046
  202    H1*    U  19           H1*        U  19  13.483   8.100  11.278
  203    H3     U  19           H3         U  19  10.883  10.193   8.106
  204    H5     U  19           H5         U  19  11.554   6.304   6.632
  205    H6     U  19           H6         U  19  12.557   5.737   8.768
  206   1H5*    U  20          1H5*        U  20  10.607   7.354  15.738
  207   2H5*    U  20          2H5*        U  20   8.916   6.942  16.091
  208    H4*    U  20           H4*        U  20   9.508   9.415  16.262
  209    H3*    U  20           H3*        U  20   7.273   8.303  14.547
  210    H2*    U  20           H2*        U  20   6.765  10.464  13.720
  211   2HO*    U  20          2HO*        U  20   6.993  12.206  14.931
  212    H1*    U  20           H1*        U  20   9.319  11.466  13.540
  213    H3     U  20           H3         U  20   7.817  11.167   9.264
  214    H5     U  20           H5         U  20   8.773   7.205  10.324
  215    H6     U  20           H6         U  20   9.081   7.958  12.606
  216   1H5*    G  21          1H5*        G  21   2.910   9.575  15.563
  217   2H5*    G  21          2H5*        G  21   3.986   9.309  14.177
  218    H4*    G  21           H4*        G  21   2.929  12.009  15.116
  219    H3*    G  21           H3*        G  21   2.100  10.049  12.964
  220    H2*    G  21           H2*        G  21   1.713  11.798  11.446
  221   2HO*    G  21          2HO*        G  21   2.061  13.675  13.572
  222    H1*    G  21           H1*        G  21   3.914  13.327  12.034
  223    H8     G  21           H8         G  21   5.323   9.947  12.192
  224    H1     G  21           H1         G  21   3.857  11.482   6.189
  225   1H2     G  21          1H2         G  21   2.016  14.074   7.594
  226   2H2     G  21          2H2         G  21   2.528  13.250   6.137
  227   1H5*    G  22          1H5*        G  22  -1.397  13.074  13.512
  228   2H5*    G  22          2H5*        G  22  -2.850  12.184  13.016
  229    H4*    G  22           H4*        G  22  -2.262  14.362  11.733
  230    H3*    G  22           H3*        G  22  -2.813  11.689  10.388
  231    H2*    G  22           H2*        G  22  -2.789  12.873   8.304
  232   2HO*    G  22          2HO*        G  22  -3.636  14.827   8.416
  233    H1*    G  22           H1*        G  22  -0.501  14.285   8.880
  234    H8     G  22           H8         G  22   0.449  11.092  10.317
  235    H1     G  22           H1         G  22  -0.298  10.457   4.025
  236   1H2     G  22          1H2         G  22  -1.918  13.541   4.212
  237   2H2     G  22          2H2         G  22  -1.381  12.215   3.205
  238   1H5*    A  23          1H5*        A  23  -6.256  13.724   9.028
  239   2H5*    A  23          2H5*        A  23  -7.613  12.602   8.803
  240    H4*    A  23           H4*        A  23  -6.585  13.428   6.652
  241    H3*    A  23           H3*        A  23  -6.687  10.481   7.370
  242    H2*    A  23           H2*        A  23  -5.679   9.946   5.293
  243   2HO*    A  23          2HO*        A  23  -7.065  11.961   4.398
  244    H1*    A  23           H1*        A  23  -3.850  12.008   5.243
  245    H8     A  23           H8         A  23  -3.517  10.963   8.700
  246   1H6     A  23          1H6         A  23  -1.025   6.865   8.237
  247   2H6     A  23          2H6         A  23  -0.629   5.850   6.868
  248    H2     A  23           H2         A  23  -2.570   7.736   3.264
  249   1H5*    C  24          1H5*        C  24  -8.585   9.740   3.847
  250   2H5*    C  24          2H5*        C  24  -9.765   8.460   4.194
  251    H4*    C  24           H4*        C  24  -7.772   7.687   2.866
  252    H3*    C  24           H3*        C  24  -8.442   6.497   5.580
  253    H2*    C  24           H2*        C  24  -6.588   5.030   5.383
  254   2HO*    C  24          2HO*        C  24  -7.228   4.692   3.015
  255    H1*    C  24           H1*        C  24  -4.833   6.784   4.190
  256   1H4     C  24          1H4         C  24  -4.558   7.827  10.715
  257   2H4     C  24          2H4         C  24  -3.467   6.490  10.427
  258    H5     C  24           H5         C  24  -5.970   8.767   9.004
  259    H6     C  24           H6         C  24  -6.688   8.591   6.671
  260   1H5*    G  25          1H5*        G  25 -10.610   3.036   6.162
  261   2H5*    G  25          2H5*        G  25  -9.448   4.369   6.016
  262    H4*    G  25           H4*        G  25  -9.106   2.435   3.854
  263    H3*    G  25           H3*        G  25  -9.121   1.426   6.724
  264    H2*    G  25           H2*        G  25  -7.251   0.060   6.205
  265   2HO*    G  25          2HO*        G  25  -7.459  -0.753   4.214
  266    H1*    G  25           H1*        G  25  -5.827   2.008   4.958
  267    H8     G  25           H8         G  25  -7.465   4.084   7.448
  268    H1     G  25           H1         G  25  -3.553   0.014  10.408
  269   1H2     G  25          1H2         G  25  -3.417  -1.624   7.329
  270   2H2     G  25          2H2         G  25  -2.889  -1.568   8.995
  271   1H5*    C  26          1H5*        C  26 -11.162  -0.867   8.710
  272   2H5*    C  26          2H5*        C  26 -10.102   0.289   7.885
  273    H4*    C  26           H4*        C  26  -8.960  -2.332   7.600
  274    H3*    C  26           H3*        C  26 -10.059  -1.701  10.348
  275    H2*    C  26           H2*        C  26  -8.029  -2.367  11.359
  276   2HO*    C  26          2HO*        C  26  -7.627  -3.709   8.897
  277    H1*    C  26           H1*        C  26  -6.285  -1.284   9.545
  278   1H4     C  26          1H4         C  26  -8.248   3.707  13.405
  279   2H4     C  26          2H4         C  26  -7.173   2.785  14.434
  280    H5     C  26           H5         C  26  -8.943   2.963  11.222
  281    H6     C  26           H6         C  26  -8.763   1.176   9.556
  282   1H5*    U  27          1H5*        U  27 -12.644  -4.555  12.319
  283   2H5*    U  27          2H5*        U  27 -11.690  -3.182  11.724
  284    H4*    U  27           H4*        U  27 -10.257  -5.790  11.987
  285    H3*    U  27           H3*        U  27 -11.463  -4.286  14.320
  286    H2*    U  27           H2*        U  27  -9.441  -4.456  15.534
  287   2HO*    U  27          2HO*        U  27  -9.245  -6.771  14.246
  288    H1*    U  27           H1*        U  27  -7.686  -4.027  13.475
  289    H3     U  27           H3         U  27  -8.015  -0.624  16.698
  290    H5     U  27           H5         U  27 -10.440   0.471  13.432
  291    H6     U  27           H6         U  27 -10.131  -1.758  12.535
  292   1H5*    C  28          1H5*        C  28 -10.109  -7.461  15.973
  293   2H5*    C  28          2H5*        C  28 -10.939  -8.273  17.316
  294    H4*    C  28           H4*        C  28  -8.923  -7.018  18.069
  295    H3*    C  28           H3*        C  28 -11.694  -6.270  19.024
  296    H2*    C  28           H2*        C  28 -10.906  -4.381  20.118
  297   2HO*    C  28          2HO*        C  28  -9.383  -4.758  21.519
  298    H1*    C  28           H1*        C  28  -8.448  -4.050  18.661
  299   1H4     C  28          1H4         C  28 -12.586   0.639  16.610
  300   2H4     C  28          2H4         C  28 -11.920   1.287  18.092
  301    H5     C  28           H5         C  28 -12.172  -1.603  15.849
  302    H6     C  28           H6         C  28 -11.084  -3.735  16.372
  303   1H5*    C  29          1H5*        C  29 -13.265  -6.626  22.790
  304   2H5*    C  29          2H5*        C  29 -12.770  -5.416  21.589
  305    H4*    C  29           H4*        C  29 -11.786  -5.362  24.461
  306    H3*    C  29           H3*        C  29 -14.317  -4.268  23.216
  307    H2*    C  29           H2*        C  29 -14.110  -2.277  24.425
  308   2HO*    C  29          2HO*        C  29 -12.201  -2.312  26.064
  309    H1*    C  29           H1*        C  29 -11.359  -2.030  24.256
  310   1H4     C  29          1H4         C  29 -14.095   0.442  18.740
  311   2H4     C  29          2H4         C  29 -13.975   1.795  19.843
  312    H5     C  29           H5         C  29 -13.530  -1.815  19.350
  313    H6     C  29           H6         C  29 -12.745  -3.276  21.152
  314    H3T    C  29           H3T        C  29 -13.495  -5.629  25.528
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1 -16.559   9.896  25.318
    2   2H5*    G   1          2H5*        G   1 -14.844  10.084  24.901
    3    H4*    G   1           H4*        G   1 -15.090   8.499  26.756
    4    H3*    G   1           H3*        G   1 -14.176   7.454  24.058
    5    H2*    G   1           H2*        G   1 -14.052   5.247  24.940
    6   2HO*    G   1          2HO*        G   1 -13.109   5.351  26.881
    7    H1*    G   1           H1*        G   1 -16.356   5.278  26.385
    8    H8     G   1           H8         G   1 -17.403   7.095  23.374
    9    H1     G   1           H1         G   1 -16.138   1.009  21.968
   10   1H2     G   1          1H2         G   1 -15.130   0.042  23.625
   11   2H2     G   1          2H2         G   1 -14.653   0.869  25.081
   12    H5T    G   1           H5T        G   1 -15.648   9.730  22.977
   13   1H5*    G   2          1H5*        G   2 -11.087   5.949  27.148
   14   2H5*    G   2          2H5*        G   2  -9.561   5.980  26.243
   15    H4*    G   2           H4*        G   2 -10.372   3.723  27.283
   16    H3*    G   2           H3*        G   2  -9.326   4.144  24.459
   17    H2*    G   2           H2*        G   2  -9.593   1.811  24.051
   18   2HO*    G   2          2HO*        G   2  -9.218   1.692  26.775
   19    H1*    G   2           H1*        G   2 -11.970   1.479  25.375
   20    H8     G   2           H8         G   2 -12.969   4.398  23.615
   21    H1     G   2           H1         G   2 -11.272   0.001  19.326
   22   1H2     G   2          1H2         G   2  -9.765  -1.607  22.028
   23   2H2     G   2          2H2         G   2 -10.116  -1.616  20.315
   24   1H5*    A   3          1H5*        A   3  -6.355   3.652  22.706
   25   2H5*    A   3          2H5*        A   3  -7.793   3.030  23.539
   26    H4*    A   3           H4*        A   3  -5.930   1.023  23.976
   27    H3*    A   3           H3*        A   3  -5.376   2.397  21.336
   28    H2*    A   3           H2*        A   3  -5.214   0.321  20.235
   29   2HO*    A   3          2HO*        A   3  -4.092  -0.534  22.328
   30    H1*    A   3           H1*        A   3  -7.341  -0.927  21.456
   31    H8     A   3           H8         A   3  -8.757   2.408  20.986
   32   1H6     A   3          1H6         A   3  -9.725   2.387  16.258
   33   2H6     A   3          2H6         A   3  -9.271   1.319  14.949
   34    H2     A   3           H2         A   3  -6.659  -1.876  16.721
   35   1H5*    G   4          1H5*        G   4  -0.885   1.344  20.771
   36   2H5*    G   4          2H5*        G   4  -1.129   2.234  19.254
   37    H4*    G   4           H4*        G   4  -1.697  -0.561  19.871
   38    H3*    G   4           H3*        G   4  -1.529   1.207  17.407
   39    H2*    G   4           H2*        G   4  -2.642  -0.443  16.142
   40   2HO*    G   4          2HO*        G   4  -1.746  -2.109  18.194
   41    H1*    G   4           H1*        G   4  -4.587  -1.029  17.998
   42    H8     G   4           H8         G   4  -4.456   2.545  18.520
   43    H1     G   4           H1         G   4  -6.592   1.281  12.649
   44   1H2     G   4          1H2         G   4  -5.370  -1.931  13.236
   45   2H2     G   4          2H2         G   4  -6.176  -0.839  12.134
   46   1H5*    U   5          1H5*        U   5  -0.330  -2.845  15.669
   47   2H5*    U   5          2H5*        U   5   1.104  -2.345  14.751
   48    H4*    U   5           H4*        U   5  -0.773  -3.499  13.425
   49    H3*    U   5           H3*        U   5   0.388  -0.789  12.698
   50    H2*    U   5           H2*        U   5  -0.987  -0.747  10.773
   51   2HO*    U   5          2HO*        U   5  -0.661  -2.791   9.945
   52    H1*    U   5           H1*        U   5  -3.230  -1.923  11.960
   53    H3     U   5           H3         U   5  -4.618   2.268  10.935
   54    H5     U   5           H5         U   5  -2.240   2.729  14.380
   55    H6     U   5           H6         U   5  -1.443   0.466  14.053
   56   1H5*    G   6          1H5*        G   6   3.265   0.425  11.371
   57   2H5*    G   6          2H5*        G   6   1.613  -0.217  11.316
   58    H4*    G   6           H4*        G   6   2.961  -0.828   8.834
   59    H3*    G   6           H3*        G   6   4.068   1.503   9.798
   60    H2*    G   6           H2*        G   6   1.967   2.630  10.107
   61   2HO*    G   6          2HO*        G   6   1.742   3.703   7.770
   62    H1*    G   6           H1*        G   6   1.099   1.572   7.418
   63    H8     G   6           H8         G   6  -0.235   1.966  11.051
   64    H1     G   6           H1         G   6  -3.969   4.481   6.538
   65   1H2     G   6          1H2         G   6  -1.574   3.275   4.311
   66   2H2     G   6          2H2         G   6  -3.086   4.128   4.535
   67   1H5*    C   7          1H5*        C   7   5.049  -0.442   5.571
   68   2H5*    C   7          2H5*        C   7   5.994   0.338   4.286
   69    H4*    C   7           H4*        C   7   3.408  -0.245   3.961
   70    H3*    C   7           H3*        C   7   5.187   1.295   2.536
   71    H2*    C   7           H2*        C   7   4.779   3.262   3.862
   72   2HO*    C   7          2HO*        C   7   4.259   3.507   1.460
   73    H1*    C   7           H1*        C   7   1.806   2.677   3.692
   74   1H4     C   7          1H4         C   7   1.484   7.624   7.675
   75   2H4     C   7          2H4         C   7   3.176   7.475   8.094
   76    H5     C   7           H5         C   7   4.609   5.750   7.211
   77    H6     C   7           H6         C   7   4.727   3.796   5.742
   78   1H5*    U   8          1H5*        U   8   2.572   0.125  -2.189
   79   2H5*    U   8          2H5*        U   8   3.303   1.736  -2.308
   80    H4*    U   8           H4*        U   8   0.928   1.102  -3.448
   81    H3*    U   8           H3*        U   8   1.973   3.711  -2.307
   82    H2*    U   8           H2*        U   8  -0.115   4.748  -2.769
   83   2HO*    U   8          2HO*        U   8  -0.338   2.632  -4.578
   84    H1*    U   8           H1*        U   8  -1.715   2.726  -1.867
   85    H3     U   8           H3         U   8  -1.633   6.357   1.014
   86    H5     U   8           H5         U   8   1.523   3.839   2.200
   87    H6     U   8           H6         U   8   1.157   2.529   0.200
   88   1H5*    U   9          1H5*        U   9   0.474   5.357  -5.572
   89   2H5*    U   9          2H5*        U   9   1.559   6.614  -6.199
   90    H4*    U   9           H4*        U   9  -0.543   7.541  -5.214
   91    H3*    U   9           H3*        U   9   2.181   8.230  -4.102
   92    H2*    U   9           H2*        U   9   1.228   9.530  -2.401
   93   2HO*    U   9          2HO*        U   9  -0.960  10.275  -2.529
   94    H1*    U   9           H1*        U   9  -1.053   8.010  -1.915
   95    H3     U   9           H3         U   9   1.542   8.108   1.859
   96    H5     U   9           H5         U   9   3.262   5.170  -0.624
   97    H6     U   9           H6         U   9   1.797   5.936  -2.411
   98   1H5*    C  10          1H5*        C  10   2.819  13.310  -4.339
   99   2H5*    C  10          2H5*        C  10   3.479  11.846  -3.580
  100    H4*    C  10           H4*        C  10   1.182  13.530  -2.496
  101    H3*    C  10           H3*        C  10   4.147  13.382  -1.885
  102    H2*    C  10           H2*        C  10   3.732  13.440   0.409
  103   2HO*    C  10          2HO*        C  10   2.502  15.033   1.028
  104    H1*    C  10           H1*        C  10   1.106  12.339   0.382
  105   1H4     C  10          1H4         C  10   5.482   7.659   2.072
  106   2H4     C  10          2H4         C  10   4.823   8.245   3.581
  107    H5     C  10           H5         C  10   4.866   8.552  -0.070
  108    H6     C  10           H6         C  10   3.751  10.403  -1.227
  109   1H5*    A  11          1H5*        A  11   6.518  15.932  -0.140
  110   2H5*    A  11          2H5*        A  11   5.292  14.653  -0.240
  111    H4*    A  11           H4*        A  11   4.548  16.799   1.630
  112    H3*    A  11           H3*        A  11   7.163  15.290   1.987
  113    H2*    A  11           H2*        A  11   6.725  15.206   4.312
  114   2HO*    A  11          2HO*        A  11   5.751  16.923   5.111
  115    H1*    A  11           H1*        A  11   4.130  14.402   4.065
  116    H8     A  11           H8         A  11   5.455  12.498   1.288
  117   1H6     A  11          1H6         A  11   7.955   9.025   3.536
  118   2H6     A  11          2H6         A  11   8.510   8.831   5.183
  119    H2     A  11           H2         A  11   7.153  12.451   7.460
  120   1H5*    A  12          1H5*        A  12   6.791  18.687   4.471
  121   2H5*    A  12          2H5*        A  12   8.129  19.853   4.503
  122    H4*    A  12           H4*        A  12   7.455  19.449   6.785
  123    H3*    A  12           H3*        A  12  10.049  18.103   5.947
  124    H2*    A  12           H2*        A  12  10.287  17.308   8.216
  125   2HO*    A  12          2HO*        A  12   8.798  18.048   9.838
  126    H1*    A  12           H1*        A  12   7.754  16.473   8.516
  127    H8     A  12           H8         A  12   8.403  15.655   4.974
  128   1H6     A  12          1H6         A  12  12.124  11.080   6.769
  129   2H6     A  12          2H6         A  12  11.247  11.730   5.414
  130    H2     A  12           H2         A  12  11.176  13.563  10.350
  131   1H5*    C  13          1H5*        C  13  11.504  20.997   8.980
  132   2H5*    C  13          2H5*        C  13  13.168  21.466   8.577
  133    H4*    C  13           H4*        C  13  12.991  20.127  10.692
  134    H3*    C  13           H3*        C  13  14.619  19.185   8.321
  135    H2*    C  13           H2*        C  13  15.194  17.171   9.475
  136   2HO*    C  13          2HO*        C  13  14.002  18.048  11.884
  137    H1*    C  13           H1*        C  13  12.775  16.651  10.602
  138   1H4     C  13          1H4         C  13  13.353  13.554   5.005
  139   2H4     C  13          2H4         C  13  12.509  14.872   4.225
  140    H5     C  13           H5         C  13  11.901  16.908   5.362
  141    H6     C  13           H6         C  13  11.957  18.107   7.497
  142   1H5*    A  14          1H5*        A  14  19.390  20.085   8.647
  143   2H5*    A  14          2H5*        A  14  17.848  19.673   7.873
  144    H4*    A  14           H4*        A  14  18.399  18.487  10.573
  145    H3*    A  14           H3*        A  14  19.844  17.776   7.983
  146    H2*    A  14           H2*        A  14  19.615  15.503   8.480
  147   2HO*    A  14          2HO*        A  14  20.469  15.461  10.537
  148    H1*    A  14           H1*        A  14  17.188  15.686   9.918
  149    H8     A  14           H8         A  14  15.640  16.839   7.139
  150   1H6     A  14          1H6         A  14  17.226  12.101   3.542
  151   2H6     A  14          2H6         A  14  16.188  13.500   3.696
  152    H2     A  14           H2         A  14  19.816  11.985   7.209
  153   1H5*    G  15          1H5*        G  15  23.694  15.557   7.447
  154   2H5*    G  15          2H5*        G  15  22.821  16.997   6.885
  155    H4*    G  15           H4*        G  15  21.049  14.691   7.211
  156    H3*    G  15           H3*        G  15  23.438  13.758   6.356
  157    H2*    G  15           H2*        G  15  23.863  15.162   4.537
  158   2HO*    G  15          2HO*        G  15  22.005  13.243   3.535
  159    H1*    G  15           H1*        G  15  21.104  15.486   3.553
  160    H8     G  15           H8         G  15  24.015  16.452   2.705
  161    H1     G  15           H1         G  15  21.719  21.845   5.202
  162   1H2     G  15          1H2         G  15  19.951  21.395   6.463
  163   2H2     G  15          2H2         G  15  19.337  19.771   6.678
  164   1H5*    U  16          1H5*        U  16  19.476  11.535   4.150
  165   2H5*    U  16          2H5*        U  16  19.824  10.098   5.133
  166    H4*    U  16           H4*        U  16  18.671   9.249   3.252
  167    H3*    U  16           H3*        U  16  21.260   8.409   3.669
  168    H2*    U  16           H2*        U  16  22.304   9.837   2.090
  169   2HO*    U  16          2HO*        U  16  22.983   8.452   0.615
  170    H1*    U  16           H1*        U  16  20.071   9.446   0.102
  171    H3     U  16           H3         U  16  22.333  12.243  -2.601
  172    H5     U  16           H5         U  16  22.320  14.279   1.089
  173    H6     U  16           H6         U  16  21.238  12.347   2.079
  174   1H5*    G  17          1H5*        G  17  21.434   6.874   5.517
  175   2H5*    G  17          2H5*        G  17  20.370   5.472   5.734
  176    H4*    G  17           H4*        G  17  20.890   7.024   7.801
  177    H3*    G  17           H3*        G  17  18.877   5.261   7.211
  178    H2*    G  17           H2*        G  17  17.005   6.653   6.951
  179   2HO*    G  17          2HO*        G  17  16.081   7.064   8.832
  180    H1*    G  17           H1*        G  17  18.053   9.007   8.421
  181    H8     G  17           H8         G  17  17.744   7.995   4.687
  182    H1     G  17           H1         G  17  13.902  12.721   6.560
  183   1H2     G  17          1H2         G  17  15.300  12.184   9.706
  184   2H2     G  17          2H2         G  17  14.167  13.090   8.731
  185   1H5*    C  18          1H5*        C  18  16.883   2.632   9.614
  186   2H5*    C  18          2H5*        C  18  16.976   2.377   7.860
  187    H4*    C  18           H4*        C  18  16.032   4.924   9.236
  188    H3*    C  18           H3*        C  18  14.539   2.657   9.034
  189    H2*    C  18           H2*        C  18  14.755   2.290   6.694
  190   2HO*    C  18          2HO*        C  18  12.626   2.438   6.575
  191    H1*    C  18           H1*        C  18  14.466   5.193   5.994
  192   1H4     C  18          1H4         C  18  18.411   2.396   1.495
  193   2H4     C  18          2H4         C  18  16.810   2.096   0.858
  194    H5     C  18           H5         C  18  18.809   3.340   3.675
  195    H6     C  18           H6         C  18  17.760   4.219   5.708
  196   1H5*    U  19          1H5*        U  19  14.836   4.526  10.775
  197   2H5*    U  19          2H5*        U  19  14.535   4.016  12.445
  198    H4*    U  19           H4*        U  19  14.543   6.230  12.930
  199    H3*    U  19           H3*        U  19  11.859   5.906  11.537
  200    H2*    U  19           H2*        U  19  11.542   8.223  11.646
  201   2HO*    U  19          2HO*        U  19  13.601   8.226  13.631
  202    H1*    U  19           H1*        U  19  14.239   8.970  11.324
  203    H3     U  19           H3         U  19  11.137  10.561   8.161
  204    H5     U  19           H5         U  19  13.183   7.243   6.523
  205    H6     U  19           H6         U  19  14.006   6.745   8.749
  206   1H5*    U  20          1H5*        U  20  10.609   7.883  15.059
  207   2H5*    U  20          2H5*        U  20   8.910   7.482  15.383
  208    H4*    U  20           H4*        U  20   9.363   9.859  14.568
  209    H3*    U  20           H3*        U  20   7.441   7.968  13.158
  210    H2*    U  20           H2*        U  20   6.914   9.708  11.648
  211   2HO*    U  20          2HO*        U  20   6.796  11.203  13.645
  212    H1*    U  20           H1*        U  20   9.438  10.932  11.614
  213    H3     U  20           H3         U  20   8.296   9.834   7.326
  214    H5     U  20           H5         U  20   9.479   6.196   9.085
  215    H6     U  20           H6         U  20   9.585   7.335  11.225
  216   1H5*    G  21          1H5*        G  21   2.615   9.975  14.236
  217   2H5*    G  21          2H5*        G  21   3.240   8.867  12.998
  218    H4*    G  21           H4*        G  21   2.554  11.793  12.770
  219    H3*    G  21           H3*        G  21   2.006   9.231  11.235
  220    H2*    G  21           H2*        G  21   1.803  10.463   9.249
  221   2HO*    G  21          2HO*        G  21   1.621  12.787  10.908
  222    H1*    G  21           H1*        G  21   3.820  12.311   9.743
  223    H8     G  21           H8         G  21   5.374   9.087  10.597
  224    H1     G  21           H1         G  21   4.336   9.503   4.335
  225   1H2     G  21          1H2         G  21   3.067  11.170   3.874
  226   2H2     G  21          2H2         G  21   2.382  12.232   5.067
  227   1H5*    G  22          1H5*        G  22  -1.040  12.843  11.089
  228   2H5*    G  22          2H5*        G  22  -2.657  12.137  10.891
  229    H4*    G  22           H4*        G  22  -2.287  14.167   9.473
  230    H3*    G  22           H3*        G  22  -2.779  11.475   8.149
  231    H2*    G  22           H2*        G  22  -2.893  12.632   6.053
  232   2HO*    G  22          2HO*        G  22  -2.717  15.061   7.564
  233    H1*    G  22           H1*        G  22  -0.619  14.092   6.469
  234    H8     G  22           H8         G  22   0.438  11.027   8.081
  235    H1     G  22           H1         G  22  -0.479   9.947   1.870
  236   1H2     G  22          1H2         G  22  -1.614  11.626   0.965
  237   2H2     G  22          2H2         G  22  -2.144  13.010   1.894
  238   1H5*    A  23          1H5*        A  23  -6.429  13.548   7.221
  239   2H5*    A  23          2H5*        A  23  -7.828  12.471   7.038
  240    H4*    A  23           H4*        A  23  -6.986  13.436   4.869
  241    H3*    A  23           H3*        A  23  -7.094  10.453   5.389
  242    H2*    A  23           H2*        A  23  -6.234  10.020   3.225
  243   2HO*    A  23          2HO*        A  23  -7.664  12.013   2.486
  244    H1*    A  23           H1*        A  23  -4.370  12.038   3.151
  245    H8     A  23           H8         A  23  -3.835  10.838   6.535
  246   1H6     A  23          1H6         A  23  -1.501   6.704   5.750
  247   2H6     A  23          2H6         A  23  -1.220   5.737   4.320
  248    H2     A  23           H2         A  23  -3.327   7.818   0.923
  249   1H5*    C  24          1H5*        C  24  -9.424   9.745   1.983
  250   2H5*    C  24          2H5*        C  24 -10.503   8.465   2.573
  251    H4*    C  24           H4*        C  24  -8.679   7.721   0.953
  252    H3*    C  24           H3*        C  24  -9.102   6.512   3.704
  253    H2*    C  24           H2*        C  24  -7.287   5.034   3.349
  254   2HO*    C  24          2HO*        C  24  -8.028   4.509   1.153
  255    H1*    C  24           H1*        C  24  -5.616   6.770   2.011
  256   1H4     C  24          1H4         C  24  -4.841   7.806   8.500
  257   2H4     C  24          2H4         C  24  -3.799   6.449   8.135
  258    H5     C  24           H5         C  24  -6.353   8.775   6.896
  259    H6     C  24           H6         C  24  -7.232   8.622   4.616
  260   1H5*    G  25          1H5*        G  25 -12.016   2.925   3.502
  261   2H5*    G  25          2H5*        G  25 -11.091   2.929   5.018
  262    H4*    G  25           H4*        G  25 -10.215   2.174   2.243
  263    H3*    G  25           H3*        G  25  -9.882   1.117   5.078
  264    H2*    G  25           H2*        G  25  -7.896   0.019   4.403
  265   2HO*    G  25          2HO*        G  25  -8.604   0.772   1.728
  266    H1*    G  25           H1*        G  25  -6.822   2.127   3.068
  267    H8     G  25           H8         G  25  -8.331   4.115   5.633
  268    H1     G  25           H1         G  25  -4.260   0.112   8.466
  269   1H2     G  25          1H2         G  25  -4.208  -1.540   5.390
  270   2H2     G  25          2H2         G  25  -3.622  -1.466   7.037
  271   1H5*    C  26          1H5*        C  26 -11.755  -1.443   7.058
  272   2H5*    C  26          2H5*        C  26 -10.747  -0.207   6.280
  273    H4*    C  26           H4*        C  26  -9.494  -2.819   6.049
  274    H3*    C  26           H3*        C  26 -10.546  -2.021   8.773
  275    H2*    C  26           H2*        C  26  -8.466  -2.542   9.775
  276   2HO*    C  26          2HO*        C  26  -8.339  -4.316   7.728
  277    H1*    C  26           H1*        C  26  -6.812  -1.517   7.855
  278   1H4     C  26          1H4         C  26  -8.959   3.662  11.353
  279   2H4     C  26          2H4         C  26  -7.838   2.871  12.439
  280    H5     C  26           H5         C  26  -9.639   2.724   9.244
  281    H6     C  26           H6         C  26  -9.394   0.826   7.718
  282   1H5*    U  27          1H5*        U  27  -9.661  -6.050   8.789
  283   2H5*    U  27          2H5*        U  27 -10.622  -7.322   9.572
  284    H4*    U  27           H4*        U  27  -8.525  -7.000  10.791
  285    H3*    U  27           H3*        U  27 -11.104  -6.119  12.121
  286    H2*    U  27           H2*        U  27  -9.924  -5.341  13.988
  287   2HO*    U  27          2HO*        U  27  -8.442  -6.609  14.785
  288    H1*    U  27           H1*        U  27  -7.525  -4.620  12.692
  289    H3     U  27           H3         U  27  -9.047  -0.982  14.992
  290    H5     U  27           H5         U  27 -11.400  -1.133  11.502
  291    H6     U  27           H6         U  27 -10.435  -3.305  11.022
  292   1H5*    C  28          1H5*        C  28 -12.496  -7.519  15.844
  293   2H5*    C  28          2H5*        C  28 -11.668  -6.486  14.661
  294    H4*    C  28           H4*        C  28  -9.785  -7.612  16.591
  295    H3*    C  28           H3*        C  28 -12.273  -6.232  17.632
  296    H2*    C  28           H2*        C  28 -10.990  -4.880  19.054
  297   2HO*    C  28          2HO*        C  28  -8.842  -6.735  18.685
  298    H1*    C  28           H1*        C  28  -8.694  -4.650  17.462
  299   1H4     C  28          1H4         C  28 -12.707   0.388  15.988
  300   2H4     C  28          2H4         C  28 -11.835   0.920  17.409
  301    H5     C  28           H5         C  28 -12.531  -1.838  15.090
  302    H6     C  28           H6         C  28 -11.503  -4.045  15.371
  303   1H5*    C  29          1H5*        C  29 -14.065  -7.282  21.620
  304   2H5*    C  29          2H5*        C  29 -14.064  -5.821  20.610
  305    H4*    C  29           H4*        C  29 -12.494  -6.166  23.196
  306    H3*    C  29           H3*        C  29 -15.166  -4.909  22.532
  307    H2*    C  29           H2*        C  29 -14.746  -3.137  24.003
  308   2HO*    C  29          2HO*        C  29 -14.017  -4.125  25.829
  309    H1*    C  29           H1*        C  29 -12.052  -2.842  23.462
  310   1H4     C  29          1H4         C  29 -15.544   0.454  18.885
  311   2H4     C  29          2H4         C  29 -15.366   1.581  20.212
  312    H5     C  29           H5         C  29 -14.814  -1.837  18.989
  313    H6     C  29           H6         C  29 -13.773  -3.554  20.389
  314    H3T    C  29           H3T        C  29 -14.051  -6.665  24.391
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1 -15.844  10.875  19.414
    2   2H5*    G   1          2H5*        G   1 -14.113  11.079  19.073
    3    H4*    G   1           H4*        G   1 -14.446  10.279  21.373
    4    H3*    G   1           H3*        G   1 -13.126   8.456  19.344
    5    H2*    G   1           H2*        G   1 -12.952   6.723  20.968
    6   2HO*    G   1          2HO*        G   1 -12.770   8.824  22.653
    7    H1*    G   1           H1*        G   1 -15.387   7.019  22.146
    8    H8     G   1           H8         G   1 -16.210   7.492  18.593
    9    H1     G   1           H1         G   1 -14.467   1.459  19.711
   10   1H2     G   1          1H2         G   1 -13.562   1.284  21.673
   11   2H2     G   1          2H2         G   1 -13.431   2.610  22.796
   12    H5T    G   1           H5T        G   1 -14.166   9.459  17.704
   13   1H5*    G   2          1H5*        G   2 -10.967   9.319  23.431
   14   2H5*    G   2          2H5*        G   2  -9.225   9.396  23.095
   15    H4*    G   2           H4*        G   2  -9.715   8.108  25.165
   16    H3*    G   2           H3*        G   2  -8.450   6.750  22.772
   17    H2*    G   2           H2*        G   2  -8.376   4.700  23.966
   18   2HO*    G   2          2HO*        G   2  -9.423   5.608  26.365
   19    H1*    G   2           H1*        G   2 -10.865   4.818  25.071
   20    H8     G   2           H8         G   2 -11.149   6.259  21.630
   21    H1     G   2           H1         G   2 -10.536  -0.080  21.503
   22   1H2     G   2          1H2         G   2  -9.741   0.234  24.883
   23   2H2     G   2          2H2         G   2  -9.967  -0.831  23.513
   24   1H5*    A   3          1H5*        A   3  -6.765   5.048  26.106
   25   2H5*    A   3          2H5*        A   3  -5.041   5.465  26.153
   26    H4*    A   3           H4*        A   3  -5.100   3.129  26.552
   27    H3*    A   3           H3*        A   3  -4.483   3.807  23.659
   28    H2*    A   3           H2*        A   3  -4.278   1.489  23.175
   29   2HO*    A   3          2HO*        A   3  -4.208   1.182  26.012
   30    H1*    A   3           H1*        A   3  -6.470   0.655  24.574
   31    H8     A   3           H8         A   3  -6.835   4.039  22.796
   32   1H6     A   3          1H6         A   3  -8.518   2.456  18.555
   33   2H6     A   3          2H6         A   3  -8.742   0.857  17.878
   34    H2     A   3           H2         A   3  -7.372  -2.078  20.995
   35   1H5*    G   4          1H5*        G   4   0.545   1.653  22.956
   36   2H5*    G   4          2H5*        G   4  -0.722   2.566  22.113
   37    H4*    G   4           H4*        G   4  -0.792  -0.343  22.991
   38    H3*    G   4           H3*        G   4  -0.764   1.140  20.343
   39    H2*    G   4           H2*        G   4  -2.113  -0.546  19.387
   40   2HO*    G   4          2HO*        G   4  -0.857  -2.207  20.789
   41    H1*    G   4           H1*        G   4  -3.885  -0.770  21.476
   42    H8     G   4           H8         G   4  -3.663   2.775  21.681
   43    H1     G   4           H1         G   4  -5.949   1.221  15.944
   44   1H2     G   4          1H2         G   4  -5.571  -0.858  15.512
   45   2H2     G   4          2H2         G   4  -4.774  -1.951  16.603
   46   1H5*    U   5          1H5*        U   5   1.225  -2.456  19.686
   47   2H5*    U   5          2H5*        U   5   2.641  -2.592  18.626
   48    H4*    U   5           H4*        U   5   0.691  -3.582  17.526
   49    H3*    U   5           H3*        U   5   1.677  -0.925  16.404
   50    H2*    U   5           H2*        U   5   0.065  -1.140  14.671
   51   2HO*    U   5          2HO*        U   5   0.124  -3.177  13.948
   52    H1*    U   5           H1*        U   5  -1.973  -2.155  16.263
   53    H3     U   5           H3         U   5  -3.499   1.948  15.077
   54    H5     U   5           H5         U   5  -0.709   2.672  18.146
   55    H6     U   5           H6         U   5   0.041   0.376  17.914
   56   1H5*    G   6          1H5*        G   6   1.583  -2.663  13.327
   57   2H5*    G   6          2H5*        G   6   3.048  -3.365  12.618
   58    H4*    G   6           H4*        G   6   2.283  -2.353  10.732
   59    H3*    G   6           H3*        G   6   4.292  -0.796  11.807
   60    H2*    G   6           H2*        G   6   2.745   0.673  12.981
   61   2HO*    G   6          2HO*        G   6   3.865   2.216  11.944
   62    H1*    G   6           H1*        G   6   1.147   0.731  10.437
   63    H8     G   6           H8         G   6   0.757   0.640  14.313
   64    H1     G   6           H1         G   6  -3.029   4.787  11.298
   65   1H2     G   6          1H2         G   6  -1.591   3.512   8.387
   66   2H2     G   6          2H2         G   6  -2.726   4.635   9.101
   67   1H5*    C   7          1H5*        C   7   5.263   0.588   5.919
   68   2H5*    C   7          2H5*        C   7   5.600   1.472   7.420
   69    H4*    C   7           H4*        C   7   2.797   1.097   6.306
   70    H3*    C   7           H3*        C   7   4.724   2.580   5.014
   71    H2*    C   7           H2*        C   7   5.172   4.057   6.791
   72   2HO*    C   7          2HO*        C   7   3.246   5.791   6.407
   73    H1*    C   7           H1*        C   7   2.300   4.215   7.670
   74   1H4     C   7          1H4         C   7   6.222   7.085  11.944
   75   2H4     C   7          2H4         C   7   6.652   5.495  12.531
   76    H5     C   7           H5         C   7   5.894   3.456  11.493
   77    H6     C   7           H6         C   7   4.506   2.509   9.695
   78   1H5*    U   8          1H5*        U   8   0.821   1.460   1.110
   79   2H5*    U   8          2H5*        U   8   1.763   2.937   0.828
   80    H4*    U   8           H4*        U   8  -0.843   2.866   0.325
   81    H3*    U   8           H3*        U   8   0.817   5.088   1.550
   82    H2*    U   8           H2*        U   8  -1.131   6.416   1.810
   83   2HO*    U   8          2HO*        U   8  -1.903   5.212  -0.393
   84    H1*    U   8           H1*        U   8  -2.805   4.453   2.703
   85    H3     U   8           H3         U   8  -1.550   7.532   5.957
   86    H5     U   8           H5         U   8   1.174   4.333   6.198
   87    H6     U   8           H6         U   8   0.246   3.457   4.154
   88   1H5*    U   9          1H5*        U   9  -1.339   7.209  -1.084
   89   2H5*    U   9          2H5*        U   9  -0.377   8.398  -1.984
   90    H4*    U   9           H4*        U   9  -2.053   9.532  -0.597
   91    H3*    U   9           H3*        U   9   0.874   9.843   0.096
   92    H2*    U   9           H2*        U   9   0.343  11.177   1.951
   93   2HO*    U   9          2HO*        U   9  -1.707  12.199   2.162
   94    H1*    U   9           H1*        U   9  -2.016   9.910   2.724
   95    H3     U   9           H3         U   9   1.013   9.536   6.127
   96    H5     U   9           H5         U   9   2.085   6.564   3.342
   97    H6     U   9           H6         U   9   0.514   7.572   1.778
   98   1H5*    C  10          1H5*        C  10   0.595  14.842  -0.532
   99   2H5*    C  10          2H5*        C  10   2.325  14.637  -0.197
  100    H4*    C  10           H4*        C  10   0.287  15.631   1.549
  101    H3*    C  10           H3*        C  10   3.265  15.079   1.721
  102    H2*    C  10           H2*        C  10   3.193  15.207   4.045
  103   2HO*    C  10          2HO*        C  10   0.957  16.919   3.613
  104    H1*    C  10           H1*        C  10   0.424  14.552   4.388
  105   1H4     C  10          1H4         C  10   4.178   9.310   5.896
  106   2H4     C  10          2H4         C  10   3.767  10.045   7.428
  107    H5     C  10           H5         C  10   3.542  10.235   3.774
  108    H6     C  10           H6         C  10   2.554  12.167   2.635
  109   1H5*    A  11          1H5*        A  11   6.061  17.483   3.427
  110   2H5*    A  11          2H5*        A  11   4.863  16.175   3.487
  111    H4*    A  11           H4*        A  11   4.557  18.311   5.542
  112    H3*    A  11           H3*        A  11   6.959  16.454   5.402
  113    H2*    A  11           H2*        A  11   6.885  16.284   7.761
  114   2HO*    A  11          2HO*        A  11   6.024  17.810   8.981
  115    H1*    A  11           H1*        A  11   4.194  15.828   7.899
  116    H8     A  11           H8         A  11   4.887  14.009   4.821
  117   1H6     A  11          1H6         A  11   7.038  10.025   6.505
  118   2H6     A  11          2H6         A  11   7.721   9.603   8.059
  119    H2     A  11           H2         A  11   7.183  13.168  10.735
  120   1H5*    A  12          1H5*        A  12   7.968  19.634   7.870
  121   2H5*    A  12          2H5*        A  12   9.583  20.363   7.779
  122    H4*    A  12           H4*        A  12   9.255  19.479  10.017
  123    H3*    A  12           H3*        A  12  11.134  17.880   8.236
  124    H2*    A  12           H2*        A  12  11.600  16.487  10.103
  125   2HO*    A  12          2HO*        A  12  10.331  18.511  11.673
  126    H1*    A  12           H1*        A  12   9.016  16.381  11.077
  127    H8     A  12           H8         A  12   8.724  15.915   7.411
  128   1H6     A  12          1H6         A  12   9.925  11.249   7.022
  129   2H6     A  12          2H6         A  12  10.635  10.102   8.135
  130    H2     A  12           H2         A  12  11.341  12.294  11.993
  131   1H5*    C  13          1H5*        C  13  13.411  19.342  11.996
  132   2H5*    C  13          2H5*        C  13  15.055  19.693  11.424
  133    H4*    C  13           H4*        C  13  15.064  18.202  13.405
  134    H3*    C  13           H3*        C  13  16.119  17.229  10.736
  135    H2*    C  13           H2*        C  13  16.548  15.067  11.637
  136   2HO*    C  13          2HO*        C  13  17.182  14.842  13.658
  137    H1*    C  13           H1*        C  13  14.328  14.824  13.221
  138   1H4     C  13          1H4         C  13  13.121  11.897   7.664
  139   2H4     C  13          2H4         C  13  12.657  13.430   6.959
  140    H5     C  13           H5         C  13  12.860  15.532   8.115
  141    H6     C  13           H6         C  13  13.528  16.620  10.197
  142   1H5*    A  14          1H5*        A  14  19.567  15.807  12.855
  143   2H5*    A  14          2H5*        A  14  20.798  15.928  11.582
  144    H4*    A  14           H4*        A  14  19.722  13.571  12.305
  145    H3*    A  14           H3*        A  14  20.413  14.537   9.480
  146    H2*    A  14           H2*        A  14  19.716  12.441   8.676
  147   2HO*    A  14          2HO*        A  14  19.534  10.625  10.205
  148    H1*    A  14           H1*        A  14  17.821  11.932  10.739
  149    H8     A  14           H8         A  14  16.468  14.892   9.258
  150   1H6     A  14          1H6         A  14  15.026  11.825   4.117
  151   2H6     A  14          2H6         A  14  14.775  13.298   5.026
  152    H2     A  14           H2         A  14  17.869   9.290   6.501
  153   1H5*    G  15          1H5*        G  15  23.594  13.446   7.042
  154   2H5*    G  15          2H5*        G  15  22.367  14.563   6.412
  155    H4*    G  15           H4*        G  15  21.655  11.915   7.699
  156    H3*    G  15           H3*        G  15  23.094  11.981   5.375
  157    H2*    G  15           H2*        G  15  21.672  13.314   4.075
  158   2HO*    G  15          2HO*        G  15  20.791  11.951   2.679
  159    H1*    G  15           H1*        G  15  19.145  12.163   5.179
  160    H8     G  15           H8         G  15  19.877  13.956   2.687
  161    H1     G  15           H1         G  15  17.626  18.419   6.636
  162   1H2     G  15          1H2         G  15  17.623  17.648   8.716
  163   2H2     G  15          2H2         G  15  18.163  16.034   9.120
  164   1H5*    U  16          1H5*        U  16  20.350   8.999   6.491
  165   2H5*    U  16          2H5*        U  16  20.971   7.894   7.733
  166    H4*    U  16           H4*        U  16  19.752   6.186   6.927
  167    H3*    U  16           H3*        U  16  21.546   6.376   4.826
  168    H2*    U  16           H2*        U  16  20.267   7.842   3.465
  169   2HO*    U  16          2HO*        U  16  18.742   6.247   2.225
  170    H1*    U  16           H1*        U  16  17.708   6.433   4.233
  171    H3     U  16           H3         U  16  15.008   9.516   2.443
  172    H5     U  16           H5         U  16  18.617  11.636   2.927
  173    H6     U  16           H6         U  16  19.570   9.657   3.953
  174   1H5*    G  17          1H5*        G  17  19.425   2.532   7.810
  175   2H5*    G  17          2H5*        G  17  18.732   3.955   7.003
  176    H4*    G  17           H4*        G  17  20.216   4.224   9.633
  177    H3*    G  17           H3*        G  17  18.009   2.609   9.402
  178    H2*    G  17           H2*        G  17  16.241   4.152   9.177
  179   2HO*    G  17          2HO*        G  17  16.982   5.314  11.620
  180    H1*    G  17           H1*        G  17  17.643   6.501  10.299
  181    H8     G  17           H8         G  17  16.766   5.170   6.755
  182    H1     G  17           H1         G  17  14.018  10.692   8.372
  183   1H2     G  17          1H2         G  17  15.718  10.292  11.387
  184   2H2     G  17          2H2         G  17  14.633  11.268  10.423
  185   1H5*    C  18          1H5*        C  18  15.557   0.610  11.794
  186   2H5*    C  18          2H5*        C  18  16.479   1.338  10.463
  187    H4*    C  18           H4*        C  18  15.127   3.478  11.716
  188    H3*    C  18           H3*        C  18  13.657   1.286  12.485
  189    H2*    C  18           H2*        C  18  13.212   0.443  10.295
  190   2HO*    C  18          2HO*        C  18  11.119   1.772   9.680
  191    H1*    C  18           H1*        C  18  12.745   3.233   9.236
  192   1H4     C  18          1H4         C  18  14.635  -0.490   4.118
  193   2H4     C  18          2H4         C  18  12.888  -0.594   4.080
  194    H5     C  18           H5         C  18  15.854   0.566   5.909
  195    H6     C  18           H6         C  18  15.665   1.755   8.043
  196   1H5*    U  19          1H5*        U  19  14.292   4.156  13.247
  197   2H5*    U  19          2H5*        U  19  14.883   3.920  14.900
  198    H4*    U  19           H4*        U  19  14.613   6.109  15.386
  199    H3*    U  19           H3*        U  19  11.835   5.681  14.241
  200    H2*    U  19           H2*        U  19  11.570   7.985  13.935
  201   2HO*    U  19          2HO*        U  19  13.485   8.141  16.005
  202    H1*    U  19           H1*        U  19  14.250   8.631  13.378
  203    H3     U  19           H3         U  19  11.720   9.970   9.822
  204    H5     U  19           H5         U  19  12.156   5.806   9.340
  205    H6     U  19           H6         U  19  13.187   5.727  11.535
  206   1H5*    U  20          1H5*        U  20  10.164   8.029  17.886
  207   2H5*    U  20          2H5*        U  20   8.488   7.512  17.618
  208    H4*    U  20           H4*        U  20   9.456   9.983  16.962
  209    H3*    U  20           H3*        U  20   7.196   8.308  15.820
  210    H2*    U  20           H2*        U  20   6.896   9.834  14.100
  211   2HO*    U  20          2HO*        U  20   8.194  12.049  14.900
  212    H1*    U  20           H1*        U  20   9.542  10.971  14.135
  213    H3     U  20           H3         U  20   8.135  10.278   9.824
  214    H5     U  20           H5         U  20   9.376   6.503  11.219
  215    H6     U  20           H6         U  20   9.587   7.464  13.439
  216   1H5*    G  21          1H5*        G  21   5.833  12.901  17.283
  217   2H5*    G  21          2H5*        G  21   4.219  12.445  17.868
  218    H4*    G  21           H4*        G  21   4.045  14.503  16.578
  219    H3*    G  21           H3*        G  21   2.926  11.988  15.287
  220    H2*    G  21           H2*        G  21   2.187  13.309  13.443
  221   2HO*    G  21          2HO*        G  21   2.898  15.595  15.017
  222    H1*    G  21           H1*        G  21   4.474  14.762  13.148
  223    H8     G  21           H8         G  21   5.700  11.418  14.137
  224    H1     G  21           H1         G  21   3.320  11.303   8.239
  225   1H2     G  21          1H2         G  21   2.233  13.106   7.815
  226   2H2     G  21          2H2         G  21   2.045  14.419   8.938
  227   1H5*    G  22          1H5*        G  22  -0.978  14.596  15.968
  228   2H5*    G  22          2H5*        G  22  -2.256  13.436  15.558
  229    H4*    G  22           H4*        G  22  -1.659  15.542  13.986
  230    H3*    G  22           H3*        G  22  -2.436  12.726  13.118
  231    H2*    G  22           H2*        G  22  -2.558  13.621  10.905
  232   2HO*    G  22          2HO*        G  22  -2.779  15.742  10.495
  233    H1*    G  22           H1*        G  22  -0.198  15.072  11.145
  234    H8     G  22           H8         G  22   0.953  12.012  12.643
  235    H1     G  22           H1         G  22  -0.651  10.907   6.574
  236   1H2     G  22          1H2         G  22  -2.285  13.979   6.764
  237   2H2     G  22          2H2         G  22  -1.864  12.588   5.789
  238   1H5*    A  23          1H5*        A  23  -6.282  14.717  12.503
  239   2H5*    A  23          2H5*        A  23  -7.568  13.501  12.359
  240    H4*    A  23           H4*        A  23  -6.300  14.376  10.205
  241    H3*    A  23           H3*        A  23  -7.156  11.551  10.897
  242    H2*    A  23           H2*        A  23  -6.062  10.703   9.025
  243   2HO*    A  23          2HO*        A  23  -6.894  13.135   7.940
  244    H1*    A  23           H1*        A  23  -4.173  12.837   8.669
  245    H8     A  23           H8         A  23  -3.000  11.464  11.718
  246   1H6     A  23          1H6         A  23  -0.987   7.309  10.350
  247   2H6     A  23          2H6         A  23  -1.070   6.364   8.880
  248    H2     A  23           H2         A  23  -3.845   8.544   6.091
  249   1H5*    C  24          1H5*        C  24 -10.083   9.131   9.704
  250   2H5*    C  24          2H5*        C  24  -8.489   9.584  10.344
  251    H4*    C  24           H4*        C  24  -8.881   8.466   7.546
  252    H3*    C  24           H3*        C  24  -8.592   7.048  10.206
  253    H2*    C  24           H2*        C  24  -7.039   5.532   9.283
  254   2HO*    C  24          2HO*        C  24  -6.754   5.340   7.009
  255    H1*    C  24           H1*        C  24  -5.636   7.294   7.710
  256   1H4     C  24          1H4         C  24  -3.323   7.983  13.867
  257   2H4     C  24          2H4         C  24  -2.563   6.520  13.280
  258    H5     C  24           H5         C  24  -5.029   9.166  12.645
  259    H6     C  24           H6         C  24  -6.377   9.202  10.601
  260   1H5*    G  25          1H5*        G  25 -12.339   3.189   9.982
  261   2H5*    G  25          2H5*        G  25 -10.926   3.987  10.704
  262    H4*    G  25           H4*        G  25 -10.892   2.450   8.074
  263    H3*    G  25           H3*        G  25 -10.235   1.644  10.933
  264    H2*    G  25           H2*        G  25  -8.440   0.323  10.115
  265   2HO*    G  25          2HO*        G  25  -9.881  -0.210   8.122
  266    H1*    G  25           H1*        G  25  -7.442   2.177   8.392
  267    H8     G  25           H8         G  25  -8.325   4.520  10.963
  268    H1     G  25           H1         G  25  -4.074   0.420  13.363
  269   1H2     G  25          1H2         G  25  -4.781  -1.497  10.539
  270   2H2     G  25          2H2         G  25  -3.869  -1.335  12.023
  271   1H5*    C  26          1H5*        C  26 -10.088  -1.839   9.214
  272   2H5*    C  26          2H5*        C  26 -11.213  -3.080   9.803
  273    H4*    C  26           H4*        C  26  -9.000  -4.000   9.988
  274    H3*    C  26           H3*        C  26 -10.258  -3.076  12.586
  275    H2*    C  26           H2*        C  26  -8.321  -3.723  13.789
  276   2HO*    C  26          2HO*        C  26  -7.777  -5.234  11.450
  277    H1*    C  26           H1*        C  26  -6.456  -2.773  12.032
  278   1H4     C  26          1H4         C  26  -8.768   2.540  15.227
  279   2H4     C  26          2H4         C  26  -7.540   1.888  16.289
  280    H5     C  26           H5         C  26  -9.505   1.435  13.221
  281    H6     C  26           H6         C  26  -9.228  -0.532  11.792
  282   1H5*    U  27          1H5*        U  27  -9.932  -7.299  13.078
  283   2H5*    U  27          2H5*        U  27 -11.126  -8.052  14.154
  284    H4*    U  27           H4*        U  27  -8.862  -7.763  15.202
  285    H3*    U  27           H3*        U  27 -11.311  -6.385  16.362
  286    H2*    U  27           H2*        U  27  -9.972  -5.543  18.110
  287   2HO*    U  27          2HO*        U  27  -8.479  -7.824  17.555
  288    H1*    U  27           H1*        U  27  -7.629  -5.164  16.622
  289    H3     U  27           H3         U  27  -8.895  -1.139  18.364
  290    H5     U  27           H5         U  27 -11.396  -1.712  15.022
  291    H6     U  27           H6         U  27 -10.535  -3.973  14.843
  292   1H5*    C  28          1H5*        C  28  -9.537  -8.327  19.492
  293   2H5*    C  28          2H5*        C  28 -10.669  -9.152  20.585
  294    H4*    C  28           H4*        C  28  -9.372  -7.469  21.816
  295    H3*    C  28           H3*        C  28 -12.335  -6.975  21.391
  296    H2*    C  28           H2*        C  28 -12.182  -4.912  22.469
  297   2HO*    C  28          2HO*        C  28 -11.244  -4.920  24.354
  298    H1*    C  28           H1*        C  28  -9.419  -4.403  21.952
  299   1H4     C  28          1H4         C  28 -13.278  -0.932  17.833
  300   2H4     C  28          2H4         C  28 -12.748   0.193  19.063
  301    H5     C  28           H5         C  28 -12.754  -3.280  17.878
  302    H6     C  28           H6         C  28 -11.653  -5.072  19.138
  303   1H5*    C  29          1H5*        C  29 -15.130  -6.266  24.389
  304   2H5*    C  29          2H5*        C  29 -14.059  -5.789  23.056
  305    H4*    C  29           H4*        C  29 -13.447  -4.504  25.659
  306    H3*    C  29           H3*        C  29 -16.097  -4.139  24.238
  307    H2*    C  29           H2*        C  29 -16.005  -1.842  24.614
  308   2HO*    C  29          2HO*        C  29 -14.407  -0.964  26.121
  309    H1*    C  29           H1*        C  29 -13.233  -1.556  24.321
  310   1H4     C  29          1H4         C  29 -16.065  -0.944  18.365
  311   2H4     C  29          2H4         C  29 -15.926   0.686  18.983
  312    H5     C  29           H5         C  29 -15.478  -2.893  19.639
  313    H6     C  29           H6         C  29 -14.699  -3.721  21.810
  314    H3T    C  29           H3T        C  29 -15.216  -4.007  26.959