*HEADER    RNA                                     28-JUL-05   2AHT              
*TITLE     SOLUTION STRUCTURE OF DOMAIN 6 FROM THE AI5(GAMMA)GROUP II            
*TITLE    2 INTRON                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 27-MER;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN THE                  
*SOURCE   4 MITOCHONDRIAL COX GENE 1 OF SACCHAROMYCES CEREVISIAE AND             
*SOURCE   5 WAS SYNTHESIZED IN VITRO USING T7 POLYMERASE AND SYNTHETIC           
*SOURCE   6 DNA OLIGONUCLEOTIDES. NUCLEOTIDES A859-U864 AND G871-A876            
*SOURCE   7 (WILD TYPE NOMENCLATURE) WERE REMOVED.                               
*KEYWDS    GROUP II INTRON, RIBOZYME, SPLICING, BRANCHING, DOMAIN 6,             
*KEYWDS   2 RNA, TETRALOOP, BRANCH-POINT A, GU WOBBLE PAIRS, METAL ION,          
*KEYWDS   3 MAGNESIUM, NMR                                                       
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.C.ERAT, O.ZERBE, T.FOX, R.K.O.SIGEL                                 
*REVDAT   1   17-OCT-06 2AHT    0                                                



{distance constraint list for Xplor}
{d6 short, 5'GGAG..., 27mer}
{first conformation identified in NOESY}
{distances based on:}
{122604_600 #2  d2o, 303K, 0.83 mM, 100 mM KCl, pD=6.9, 600 MHz}



{assign (residue  1 and name  H1') (residue  1 and name  H2')  2.80  0.40  0.40}
{assign (residue  1 and name  H1') (residue  1 and name  H3')  3.90  0.40  0.40}
{assign (residue  1 and name  H1') (residue  1 and name  H4')  3.00  0.40  0.40}
{assign (residue  1 and name  H1') (residue  1 and name H5'')  5.00  2.00  1.00}
{assign (residue  1 and name  H2') (residue  1 and name  H3')  2.40  0.40  0.40}
{assign (residue  1 and name  H2') (residue  1 and name  H4')  3.90  0.40  0.40}

assign (residue  1 and name  H1') (residue  1 and name   H8)   3.80  2.00  0.70
assign (residue  1 and name  H2') (residue  1 and name   H8)   3.80  2.00  0.70
assign (residue  1 and name  H3') (residue  1 and name   H8)   3.50  0.70  0.50
assign (residue  1 and name  H4') (residue  1 and name   H8)   5.00  2.00  1.00
assign (residue  1 and name  H5') (residue  1 and name   H8)   3.80  2.00  0.70
assign (residue  1 and name H5'') (residue  1 and name   H8)   3.80  2.00  0.70

assign (residue  1 and name  H1') (residue  2 and name  H1')   5.00  2.00  1.00
assign (residue  1 and name  H2') (residue  2 and name  H5')   5.00  2.00  1.00
assign (residue  1 and name  H2') (residue  2 and name H5'')   6.00  2.00  1.00
assign (residue  1 and name  H1') (residue  2 and name   H8)   3.80  2.00  0.70
assign (residue  1 and name  H2') (residue  2 and name   H8)   2.50  0.70  0.50
assign (residue  1 and name  H3') (residue  2 and name   H8)   3.80  2.00  0.70
assign (residue  1 and name   H8) (residue  2 and name   H8)   5.00  2.00  0.70


{assign (residue  2 and name  H1') (residue  2 and name  H2')  2.80  0.40  0.40}
{assign (residue  2 and name  H1') (residue  2 and name  H3')  3.90  0.40  0.40}
{assign (residue  2 and name  H1') (residue  2 and name  H4')  3.00  0.40  0.40}
{assign (residue  2 and name  H1') (residue  2 and name  H5')  5.00  2.00  1.00}

assign (residue  2 and name  H1') (residue  2 and name   H8)   3.80  2.00  0.70
assign (residue  2 and name  H2') (residue  2 and name   H8)   3.80  2.00  0.70
assign (residue  2 and name  H3') (residue  2 and name   H8)   2.50  0.70  0.50
assign (residue  2 and name  H4') (residue  2 and name   H8)   5.00  2.00  1.00
assign (residue  2 and name  H5') (residue  2 and name   H8)   3.80  2.00  0.70
assign (residue  2 and name H5'') (residue  2 and name   H8)   3.80  2.00  0.70

assign (residue  2 and name  H1') (residue  3 and name   H1')  6.00  2.00  1.00
assign (residue  2 and name  H1') (residue  3 and name   H8)   5.00  2.00  0.70
assign (residue  2 and name  H2') (residue  3 and name   H8)   2.50  0.70  0.50
assign (residue  2 and name  H3') (residue  3 and name   H8)   3.80  2.00  0.70
assign (residue  2 and name   H8) (residue  3 and name   H8)   5.00  2.00  1.00


{assign (residue  3 and name  H1') (residue  3 and name  H2')  2.80  0.40  0.40}
{assign (residue  3 and name  H1') (residue  3 and name  H3')  3.90  0.40  0.40}
{assign (residue  3 and name  H1') (residue  3 and name  H4')  3.00  0.40  0.40}
{assign (residue  3 and name  H1') (residue  3 and name  H5')  5.00  2.00  1.00}

assign (residue  3 and name  H1') (residue  3 and name   H8)   3.80  2.00  0.70
assign (residue  3 and name  H1') (residue  3 and name   H2)   5.00  2.00  1.00
assign (residue  3 and name  H2') (residue  3 and name   H2)   5.00  2.00  1.00
assign (residue  3 and name  H2') (residue  3 and name   H8)   3.80  2.00  0.70
assign (residue  3 and name  H3') (residue  3 and name   H8)   2.50  0.70  0.50
assign (residue  3 and name  H4') (residue  3 and name   H8)   5.00  2.00  1.00
assign (residue  3 and name  H5') (residue  3 and name   H8)   3.80  2.00  0.70
assign (residue  3 and name H5'') (residue  3 and name   H8)   3.80  2.00  0.70


assign (residue  3 and name  H1') (residue  4 and name  H1')   5.00  2.00  1.00
assign (residue  3 and name  H1') (residue  4 and name   H8)   5.00  2.00  0.70
{assign (residue  3 and name  H2') (residue  4 and name  H1')  3.80  2.00  0.70} {n.ass.}
assign (residue  3 and name  H2') (residue  4 and name   H8)   2.50  0.70  0.50
assign (residue  3 and name  H3') (residue  4 and name   H8)   3.80  2.00  0.70
assign (residue  3 and name  H4') (residue  4 and name   H8)   6.00  2.00  1.00
assign (residue  3 and name   H2) (residue  4 and name  H1')   3.80  2.00  0.70
assign (residue  3 and name   H2) (residue  4 and name  H2')   6.00  2.00  1.00
assign (residue  3 and name   H2) (residue  4 and name   H8)   5.00  2.00  1.00
assign (residue  3 and name   H8) (residue  4 and name   H8)   5.00  2.00  1.00
assign (residue  3 and name   H2) (residue 26 and name  H1')   3.80  2.00  0.70


{assign (residue 4 and name  H1') (residue  4 and name  H2')   2.80  0.40  0.40}
{assign (residue 4 and name  H1') (residue  4 and name  H3')   3.90  0.40  0.40}
{assign (residue 4 and name  H1') (residue  4 and name  H4')   3.00  0.40  0.40}
{assign (residue 4 and name  H1') (residue  4 and name  H5')   5.00  2.00  1.00}
{assign (residue 4 and name  H1') (residue  4 and name H5'')   5.00  2.00  1.00}

assign (residue  4 and name  H1') (residue  4 and name   H8)   3.80  2.00  0.70
assign (residue  4 and name  H2') (residue  4 and name   H8)   3.80  2.00  0.70
assign (residue  4 and name  H3') (residue  4 and name   H8)   2.50  0.70  0.50
{assign (residue  4 and name  H4') (residue  4 and name   H8)   3.80  2.00  0.70} {n.ass.}
{assign (residue  4 and name  H5') (residue  4 and name   H8)   3.80  2.00  0.70} {n.ass.}
assign (residue  4 and name H5'') (residue  4 and name   H8)   3.80  2.00  0.70

assign (residue  4 and name  H1') (residue  5 and name  H1')   6.00  2.00  1.00
assign (residue  4 and name  H1') (residue  5 and name   H5)   5.00  2.00  1.00
assign (residue  4 and name  H1') (residue  5 and name   H6)   5.00  2.00  0.70
assign (residue  4 and name  H2') (residue  5 and name   H5)   3.80  2.00  0.70
assign (residue  4 and name  H2') (residue  5 and name   H6)   2.50  0.70  0.50
assign (residue  4 and name  H3') (residue  5 and name   H5)   2.50  0.70  0.50
assign (residue  4 and name  H3') (residue  5 and name   H6)   2.50  0.70  0.50
assign (residue  4 and name   H8) (residue  5 and name  H2')   6.00  2.00  1.00
assign (residue  4 and name   H8) (residue  5 and name   H5)   3.80  2.00  0.70
assign (residue  4 and name   H8) (residue  5 and name   H6)   3.80  2.00  0.70


{assign (residue  5 and name  H1') (residue  5 and name  H2')  2.80  0.40  0.40}
{assign (residue  5 and name  H1') (residue  5 and name  H3')  3.90  0.40  0.40}
{assign (residue  5 and name   H5) (residue  5 and name  H6)   2.15  0.35  0.35}
{assign (residue  5 and name  H1') (residue  5 and name  H4')   3.00  0.40  0.40}
{assign (residue  5 and name  H1') (residue  5 and name  H5')   5.00  2.00  1.00}
{assign (residue  5 and name  H1') (residue  5 and name H5'')   5.00  2.00  1.00}

assign (residue  5 and name  H1') (residue  5 and name   H5)   5.00  2.00  1.00
assign (residue  5 and name  H1') (residue  5 and name   H6)   3.80  2.00  0.70
assign (residue  5 and name  H2') (residue  5 and name   H5)   5.00  2.00  1.00
assign (residue  5 and name  H2') (residue  5 and name   H6)   3.80  2.00  0.70
assign (residue  5 and name  H3') (residue  5 and name   H5)   5.00  2.00  1.00
assign (residue  5 and name  H3') (residue  5 and name   H6)   2.50  0.70  0.50
assign (residue  5 and name  H4') (residue  5 and name   H5)   6.00  2.00  1.00
assign (residue  5 and name  H4') (residue  5 and name   H6)   3.80  2.00  0.70
{assign (residue  5 and name  H5') (residue  5 and name   H5)   5.00  2.00  1.00} {n.ass}
assign (residue  5 and name  H5') (residue  5 and name   H6)   3.80  2.00  0.70
assign (residue  5 and name H5'') (residue  5 and name   H5)   6.00  2.00  1.00
assign (residue  5 and name H5'') (residue  5 and name   H6)   3.80  2.00  0.70

assign (residue  5 and name  H1') (residue  6 and name  H1')   6.00  2.00  1.00
{assign (residue  5 and name  H1') (residue  6 and name  H2')   6.00  2.00  1.00}
assign (residue  5 and name  H1') (residue  6 and name   H8)   5.00  2.00  0.70
assign (residue  5 and name  H2') (residue  6 and name   H8)   2.50  0.70  0.50
assign (residue  5 and name  H2') (residue  6 and name  H1')   5.00  2.00  1.00
assign (residue  5 and name  H3') (residue  6 and name   H8)   3.80  2.00  0.70
assign (residue  5 and name   H6) (residue  6 and name   H8)   5.00  2.00  0.70


{assign (residue  6 and name  H1') (residue  6 and name  H2')  2.80  0.40  0.40}
{assign (residue  6 and name  H1') (residue  6 and name  H3')  3.90  0.40  0.40}
{assign (residue  6 and name  H1') (residue  6 and name  H4')  3.00  0.40  0.40}
{assign (residue  6 and name  H1') (residue  6 and name  H5')  5.00  2.00  1.00}
{assign (residue  6 and name  H1') (residue  6 and name H5'')  5.00  2.00  1.00}

assign (residue  6 and name  H1') (residue  6 and name   H8)   3.80  2.00  0.70
assign (residue  6 and name  H2') (residue  6 and name   H8)   3.80  2.00  0.70
assign (residue  6 and name  H3') (residue  6 and name   H8)   2.50  0.70  0.50
{assign (residue  6 and name  H4') (residue  6 and name   H8)   5.00  2.00  1.00} {n.ass.}
assign (residue  6 and name  H5') (residue  6 and name   H8)   3.80  2.00  0.70
assign (residue  6 and name H5'') (residue  6 and name   H8)   3.80  2.00  0.70

assign (residue  6 and name  H1') (residue  7 and name  H1')   6.00  2.00  1.00
assign (residue  6 and name  H1') (residue  7 and name H5'')   6.00  2.00  1.00
assign (residue  6 and name  H1') (residue  7 and name   H8)   5.00  2.00  0.70
assign (residue  6 and name  H2') (residue  7 and name  H1')   5.00  2.00  1.00
assign (residue  6 and name  H2') (residue  7 and name   H8)   2.50  0.70  0.50
assign (residue  6 and name  H3') (residue  7 and name   H8)   3.80  2.00  0.70
assign (residue  6 and name   H8) (residue  7 and name   H8)   5.00  2.00  0.70

{assign (residue  7 and name  H1') (residue  7 and name  H2')  2.80  0.40  0.40}
{assign (residue  7 and name  H1') (residue  7 and name  H3')  3.90  0.40  0.40}
{assign (residue  7 and name  H1') (residue  7 and name  H4')  3.00  0.40  0.40}
{assign (residue  7 and name  H1') (residue  7 and name  H5')  5.00  2.00  1.00}
{assign (residue  7 and name  H1') (residue  7 and name H5'')  5.00  2.00  1.00}

assign (residue  7 and name  H1') (residue  7 and name   H8)   5.00  2.00  1.00
assign (residue  7 and name  H2') (residue  7 and name   H8)   3.80  2.00  0.70
assign (residue  7 and name  H3') (residue  7 and name   H8)   2.50  0.70  0.50
{assign (residue  7 and name  H4') (residue  7 and name   H8)   5.00  2.00  1.00} {n.ass.}
assign (residue  7 and name  H5') (residue  7 and name   H8)   3.80  2.00  0.70
assign (residue  7 and name H5'') (residue  7 and name   H8)   5.00  2.00  1.00

assign (residue  7 and name  H1') (residue  8 and name  H1')   6.00  2.00  1.00
assign (residue  7 and name  H1') (residue  8 and name   H8)   3.80  2.00  0.70
assign (residue  7 and name  H2') (residue  8 and name   H8)   2.50  0.70  0.50
assign (residue  7 and name  H3') (residue  8 and name   H8)   3.80  2.00  0.70
assign (residue  7 and name   H8) (residue  8 and name   H8)   5.00  2.00  1.00

{assign (residue  8 and name  H1') (residue  8 and name  H2')  2.80  0.40  0.40}
{assign (residue  8 and name  H1') (residue  8 and name  H3')  3.90  0.40  0.40}
{assign (residue  8 and name  H1') (residue  8 and name  H4')  3.00  0.40  0.40} {n.ass.}
{assign (residue  8 and name  H1') (residue  8 and name  H5')  5.00  2.00  1.00}
{assign (residue  8 and name  H1') (residue  8 and name H5'')  5.00  2.00  1.00}

assign (residue  8 and name  H1') (residue  8 and name   H8)   3.80  2.00  0.70
assign (residue  8 and name  H2') (residue  8 and name   H8)   3.80  2.00  0.70
assign (residue  8 and name  H3') (residue  8 and name   H8)   2.50  0.70  0.50
{assign (residue  8 and name  H4') (residue  8 and name   H8)   5.00  2.00  1.00 {n.ass.}}
assign (residue  8 and name  H5') (residue  8 and name   H8)   3.80  2.00  0.70
assign (residue  8 and name H5'') (residue  8 and name   H8)   3.80  2.00  0.70

assign (residue  8 and name  H1') (residue  9 and name  H1')   5.00  2.00  1.00
assign (residue  8 and name  H1') (residue  9 and name   H8)   5.00  2.00  0.70
assign (residue  8 and name  H2') (residue  9 and name   H8)   2.50  0.70  0.50
assign (residue  8 and name  H3') (residue  9 and name   H8)   2.50  0.70  0.50
assign (residue  8 and name   H8) (residue  9 and name   H8)   5.00  2.00  0.70
assign (residue  8 and name   H8) (residue 20 and name   H2)   6.00  2.00  1.00

{assign (residue  9 and name  H1') (residue  9 and name  H2')  2.80  0.40  0.40}
{assign (residue  9 and name  H1') (residue  9 and name  H3')  3.90  0.40  0.40}
{assign (residue  9 and name  H1') (residue  9 and name  H4')  3.00  0.40  0.40}
{assign (residue  9 and name  H1') (residue  9 and name  H5')  5.00  2.00  1.00}
{assign (residue  9 and name  H1') (residue  9 and name H5'')  5.00  2.00  1.00}

assign (residue  9 and name  H1') (residue  9 and name   H8)   3.80  2.00  0.70
assign (residue  9 and name  H2') (residue  9 and name   H8)   3.80  2.00  0.70
assign (residue  9 and name  H3') (residue  9 and name   H8)   2.50  0.70  0.50
assign (residue  9 and name  H4') (residue  9 and name   H8)   5.00  2.00  1.00
assign (residue  9 and name  H5') (residue  9 and name   H8)   3.80  2.00  0.70
assign (residue  9 and name H5'') (residue  9 and name   H8)   3.80  2.00  0.70

assign (residue  9 and name  H1') (residue 10 and name  H1')   5.00  2.00  1.00
assign (residue  9 and name  H1') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue  9 and name  H2') (residue 10 and name   H8)   2.50  0.70  0.50
assign (residue  9 and name  H3') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue  9 and name   H8) (residue 10 and name   H8)   5.00  2.00  0.70


{assign (residue 10 and name  H1') (residue 10 and name  H2')  2.80  0.40  0.40}
{assign (residue 10 and name  H1') (residue 10 and name  H3')  3.90  0.40  0.40}
{assign (residue 10 and name  H1') (residue 10 and name  H4')  3.00  0.40  0.40}
{assign (residue 10 and name  H1') (residue 10 and name  H5')  5.00  2.00  1.00}
{assign (residue 10 and name  H1') (residue 10 and name H5'')  5.00  2.00  1.00}

assign (residue 10 and name  H1') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue 10 and name  H2') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue 10 and name  H3') (residue 10 and name   H8)   2.50  0.70  0.50
assign (residue 10 and name  H4') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue 10 and name  H5') (residue 10 and name   H8)   3.80  2.00  0.70
assign (residue 10 and name H5'') (residue 10 and name   H8)   3.80  2.00  0.70

assign (residue 10 and name  H1') (residue 11 and name  H1')   6.00  2.00  1.00
assign (residue 10 and name  H1') (residue 11 and name   H5)   5.00  2.00  1.00
assign (residue 10 and name  H1') (residue 11 and name   H6)   5.00  2.00  1.00
assign (residue 10 and name  H2') (residue 11 and name   H5)   3.80  2.00  0.70
assign (residue 10 and name  H2') (residue 11 and name   H6)   2.50  0.70  0.50
assign (residue 10 and name  H3') (residue 11 and name   H5)   3.80  2.00  0.70
assign (residue 10 and name  H3') (residue 11 and name   H6)   3.80  2.00  0.70
assign (residue 10 and name   H8) (residue 11 and name  H2')   6.00  2.00  1.00
assign (residue 10 and name   H8) (residue 11 and name   H5)   3.80  2.00  0.70
assign (residue 10 and name   H8) (residue 11 and name   H6)   5.00  2.00  0.70


{assign (residue 11 and name  H1') (residue 11 and name  H2')  2.80  0.40  0.40}
{assign (residue 11 and name  H1') (residue 11 and name  H3')  3.90  0.40  0.40}
{assign (residue 11 and name   H5) (residue 11 and name   H6)  2.15  0.35  0.35}
{assign (residue 11 and name  H1') (residue 11 and name  H4')  3.00  0.40  0.40}
{assign (residue 11 and name  H1') (residue 11 and name  H5')  5.00  2.00  1.00}
{assign (residue 11 and name  H1') (residue 11 and name H5'')  5.00  2.00  1.00}

assign (residue 11 and name  H1') (residue 11 and name   H5)   5.00  2.00  1.00
assign (residue 11 and name  H1') (residue 11 and name   H6)   3.80  2.00  0.70
assign (residue 11 and name  H2') (residue 11 and name   H5)   5.00  2.00  1.00
assign (residue 11 and name  H2') (residue 11 and name   H6)   2.50  0.70  0.50
assign (residue 11 and name  H3') (residue 11 and name   H5)   5.00  2.00  1.00
assign (residue 11 and name  H3') (residue 11 and name   H6)   2.50  0.70  0.50
assign (residue 11 and name  H4') (residue 11 and name   H6)   3.80  2.00  0.70
{assign (residue 11 and name  H5') (residue 11 and name   H5)   5.00  2.00  1.00} {n.ass.}
assign (residue 11 and name  H5') (residue 11 and name   H6)   3.80  2.00  0.70
assign (residue 11 and name H5'') (residue 11 and name   H5)   6.00  2.00  1.00
assign (residue 11 and name H5'') (residue 11 and name   H6)   3.80  2.00  0.70

assign (residue 11 and name  H2') (residue 12 and name  H1')   5.00  2.00  1.00
assign (residue 11 and name  H1') (residue 12 and name  H1')   6.00  2.00  1.00
assign (residue 11 and name  H1') (residue 12 and name H5'')   6.00  2.00  1.00
assign (residue 11 and name  H1') (residue 12 and name   H8)   5.00  2.00  0.70
assign (residue 11 and name  H2') (residue 12 and name   H8)   2.50  0.70  0.50
assign (residue 11 and name  H3') (residue 12 and name   H8)   3.80  2.00  0.70
assign (residue 11 and name   H5) (residue 12 and name   H8)   5.00  2.00  1.00
assign (residue 11 and name   H6) (residue 12 and name   H8)   3.80  2.00  0.70


{assign (residue 12 and name  H1') (residue 12 and name  H2')  2.80  0.40  0.40}
{assign (residue 12 and name  H1') (residue 12 and name  H3')  3.90  0.40  0.40}
{assign (residue 12 and name  H1') (residue 12 and name  H4')  3.00  0.40  0.40}
{assign (residue 12 and name  H1') (residue 12 and name  H5')  5.00  2.00  1.00}
{assign (residue 12 and name  H1') (residue 12 and name H5'')  5.00  2.00  1.00}

assign (residue 12 and name  H1') (residue 12 and name   H8)   3.80  2.00  0.70
assign (residue 12 and name  H2') (residue 12 and name   H8)   3.80  2.00  0.70
assign (residue 12 and name  H3') (residue 12 and name   H8)   2.50  0.70  0.50
assign (residue 12 and name  H4') (residue 12 and name   H8)   5.00  2.00  1.00
assign (residue 12 and name  H5') (residue 12 and name   H8)   3.80  2.00  0.70
assign (residue 12 and name H5'') (residue 12 and name   H8)   2.50  0.70  0.50

assign (residue 12 and name  H1') (residue 13 and name  H1')   6.00  2.00  1.00
assign (residue 12 and name  H1') (residue 13 and name   H5)   5.00  2.00  1.00
assign (residue 12 and name  H1') (residue 13 and name   H6)   5.00  2.00  1.00
{assign (residue 12 and name  H2') (residue 13 and name   H5)   5.00  2.00  1.00} {n.ass.}
assign (residue 12 and name  H2') (residue 13 and name   H6)   2.50  0.70  0.50
{assign (residue 12 and name  H3') (residue 13 and name   H5)   3.80  2.00  0.70} {n.ass.}
assign (residue 12 and name  H3') (residue 13 and name   H6)   3.80  2.00  0.70
assign (residue 12 and name   H8) (residue 13 and name   H6)   6.00  2.00  1.00
assign (residue 12 and name   H8) (residue 14 and name   H8)   6.00  2.00  1.00
assign (residue 12 and name  H1') (residue 16 and name   H2)   5.00  2.00  1.00


{assign (residue 13 and name  H1') (residue 13 and name  H2')  2.80  0.40  0.40}
{assign (residue 13 and name  H1') (residue 13 and name  H3')  3.90  0.40  0.40}
{assign (residue 13 and name   H5) (residue 13 and name   H6)  2.15  0.35  0.35}
{assign (residue 13 and name  H1') (residue 13 and name  H4')  3.00  0.40  0.40}
{assign (residue 13 and name  H1') (residue 13 and name  H5')  5.00  2.00  1.00}
{assign (residue 13 and name  H1') (residue 13 and name H5'')  5.00  2.00  1.00}
{assign (residue 13 and name  H3') (residue 13 and name H5'')  3.90  0.40  0.40}

assign (residue 13 and name  H1') (residue 13 and name   H5)   5.00  2.00  1.00
assign (residue 13 and name  H1') (residue 13 and name   H6)   3.80  2.00  0.70
assign (residue 13 and name  H2') (residue 13 and name   H5)   5.00  2.00  1.00
assign (residue 13 and name  H2') (residue 13 and name   H6)   2.50  0.70  0.50
assign (residue 13 and name  H3') (residue 13 and name   H5)   5.00  2.00  1.00
assign (residue 13 and name  H3') (residue 13 and name   H6)   2.50  0.70  0.50
assign (residue 13 and name  H4') (residue 13 and name   H6)   3.80  2.00  0.70
assign (residue 13 and name  H5') (residue 13 and name   H6)   2.50  0.70  0.50
assign (residue 13 and name H5'') (residue 13 and name   H6)   3.80  2.00  0.70

assign (residue 13 and name  H1') (residue 14 and name  H1')   5.00  2.00  1.00
assign (residue 13 and name  H1') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 13 and name  H2') (residue 14 and name   H8)   2.50  0.70  0.50
assign (residue 13 and name  H2') (residue 14 and name  H4')   6.00  2.00  1.00
assign (residue 13 and name  H2') (residue 14 and name H5'')   6.00  2.00  1.00
assign (residue 13 and name  H3') (residue 14 and name H5'')   6.00  2.00  1.00
assign (residue 13 and name  H3') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 13 and name H5'') (residue 14 and name   H8)   6.00  2.00  1.00
assign (residue 13 and name   H5) (residue 14 and name   H8)   6.00  2.00  1.00
assign (residue 13 and name   H6) (residue 14 and name   H8)   5.00  2.00  1.00


{assign (residue 14 and name  H1') (residue 14 and name  H2')  2.80  0.40  0.40}
{assign (residue 14 and name  H1') (residue 14 and name  H3')  3.90  0.40  0.40}
{assign (residue 14 and name  H2') (residue 14 and name  H3')  2.50  0.40  0.40}
{assign (residue 14 and name  H1') (residue 14 and name  H4')  3.00  0.40  0.40}
{assign (residue 14 and name  H1') (residue 14 and name  H5')  5.00  2.00  1.00}
{assign (residue 14 and name  H1') (residue 14 and name H5'')  5.00  2.00  1.00}

assign (residue 14 and name  H1') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 14 and name  H1') (residue 14 and name   H2)   5.00  2.00  0.70
assign (residue 14 and name  H2') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 14 and name  H3') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 14 and name  H4') (residue 14 and name   H8)   5.00  2.00  1.00
assign (residue 14 and name  H5') (residue 14 and name   H8)   5.00  2.00  1.00
assign (residue 14 and name H5'') (residue 14 and name   H8)   3.80  2.00  0.70
assign (residue 14 and name   H2) (residue 14 and name  H2')   5.00  2.00  1.00

assign (residue 14 and name  H1') (residue 15 and name  H1')   5.00  2.00  1.00
assign (residue 14 and name  H1') (residue 15 and name   H2)   6.00  2.00  0.70
assign (residue 14 and name  H1') (residue 15 and name   H8)   5.00  2.00  1.00
assign (residue 14 and name  H2') (residue 15 and name  H1')   3.80  2.00  0.70
assign (residue 14 and name  H2') (residue 15 and name   H8)   2.50  0.70  0.50
assign (residue 14 and name  H3') (residue 15 and name   H8)   2.50  0.70  0.50
assign (residue 14 and name  H5') (residue 15 and name   H8)   6.00  2.00  1.00
assign (residue 14 and name H5'') (residue 15 and name   H8)   5.00  2.00  1.00
assign (residue 14 and name   H2) (residue 15 and name  H1')   3.80  2.00  0.70
assign (residue 14 and name   H2) (residue 15 and name   H2)   3.80  2.00  0.70
assign (residue 14 and name   H8) (residue 15 and name   H8)   6.00  2.00  1.00


{assign (residue 15 and name  H1') (residue 15 and name  H2')  2.80  0.40  0.40}
{assign (residue 15 and name  H1') (residue 15 and name  H3')  3.90  0.40  0.40}
{assign (residue 15 and name  H2') (residue 15 and name  H3')  2.50  0.40  0.40}
{assign (residue 15 and name  H1') (residue 15 and name  H4')  3.00  0.40  0.40}
{assign (residue 15 and name  H1') (residue 15 and name  H5')  5.00  2.00  1.00}
{assign (residue 15 and name  H1') (residue 15 and name H5'')  5.00  2.00  1.00}

assign (residue 15 and name  H1') (residue 15 and name   H2)   5.00  2.00  1.00
assign (residue 15 and name  H1') (residue 15 and name   H8)   3.80  2.00  0.70
assign (residue 15 and name  H2') (residue 15 and name   H8)   3.80  2.00  0.70
assign (residue 15 and name  H3') (residue 15 and name   H8)   2.50  2.00  2.00
assign (residue 15 and name  H4') (residue 15 and name   H8)   5.00  2.00  1.00
assign (residue 15 and name  H5') (residue 15 and name   H8)   3.80  2.00  0.70
assign (residue 15 and name H5'') (residue 15 and name   H8)   3.80  2.00  0.70

assign (residue 15 and name  H1') (residue 16 and name  H1')   5.00  2.00  1.00
assign (residue 15 and name  H1') (residue 16 and name   H8)   5.00  2.00  1.00
assign (residue 15 and name  H2') (residue 16 and name   H8)   2.50  0.70  0.50
assign (residue 15 and name  H2') (residue 16 and name  H3')   3.80  2.00  0.70
assign (residue 15 and name  H2') (residue 16 and name  H4')   3.80  2.00  0.70
assign (residue 15 and name  H2') (residue 16 and name  H5')   2.80  1.00  0.70
assign (residue 15 and name  H3') (residue 16 and name  H2')   6.00  2.00  1.00
assign (residue 15 and name  H3') (residue 16 and name  H5')   3.80  2.00  0.70
assign (residue 15 and name  H3') (residue 16 and name   H8)   2.50  0.70  0.50
assign (residue 15 and name  H5') (residue 16 and name   H8)   6.00  2.00  1.00
assign (residue 15 and name   H2) (residue 16 and name   H2)   5.00  2.00  1.00
assign (residue 15 and name   H2) (residue 16 and name   H8)   6.00  2.00  1.00
{assign (residue 15 and name   H8) (residue 16 and name   H2)   6.00  2.00  1.00} {n.ass.}
assign (residue 15 and name   H8) (residue 16 and name   H8)   3.80  2.00  0.70

assign (residue 16 and name  H1') (residue 16 and name   H8)   3.80  2.00  0.70
assign (residue 16 and name  H1') (residue 16 and name   H2)   5.00  2.00  0.70
assign (residue 16 and name  H2') (residue 16 and name   H8)   3.80  2.00  0.70
assign (residue 16 and name  H2') (residue 16 and name   H2)   5.00  2.00  0.70
assign (residue 16 and name  H3') (residue 16 and name   H8)   2.50  0.70  0.50
assign (residue 16 and name  H4') (residue 16 and name   H8)   5.00  2.00  1.00
assign (residue 16 and name  H5') (residue 16 and name   H8)   3.80  2.00  0.70
assign (residue 16 and name H5'') (residue 16 and name   H8)   3.80  2.00  0.70
assign (residue 16 and name   H2) (residue 16 and name  H2')   6.00  2.00  1.00

{assign (residue 16 and name  H1') (residue 17 and name   H5)   5.00  2.00  1.00} {n.ass.}
assign (residue 16 and name  H1') (residue 17 and name   H6)   5.00  2.00  1.00
assign (residue 16 and name  H2') (residue 17 and name  H1')   5.00  2.00  1.00
assign (residue 16 and name  H2') (residue 17 and name   H5)   3.80  2.00  0.70
assign (residue 16 and name  H2') (residue 17 and name   H6)   2.50  0.70  0.50
assign (residue 16 and name  H3') (residue 17 and name   H5)   3.80  2.00  0.70
assign (residue 16 and name  H3') (residue 17 and name   H6)   3.80  2.00  0.70
assign (residue 16 and name   H2) (residue 17 and name  H1')   3.80  2.00  0.70
assign (residue 16 and name   H2) (residue 17 and name   H6)   6.00  2.00  1.00
assign (residue 16 and name   H8) (residue 17 and name   H5)   5.00  2.00  1.00
assign (residue 16 and name   H8) (residue 17 and name   H6)   5.00  2.00  1.00


{assign (residue 17 and name  H1') (residue 17 and name  H2')  2.80  0.40  0.40}
{assign (residue 17 and name  H1') (residue 17 and name  H3')  3.90  0.40  0.40}
{assign (residue 17 and name   H5) (residue 17 and name   H6)  2.15  0.35  0.35}
{assign (residue 17 and name  H1') (residue 17 and name  H4')   3.00  0.40  0.40}
{assign (residue 17 and name  H1') (residue 17 and name  H5')   5.00  2.00  1.00}
{assign (residue 17 and name  H1') (residue 17 and name H5'')   5.00  2.00  1.00}

assign (residue 17 and name  H1') (residue 17 and name   H5)   5.00  2.00  1.00
assign (residue 17 and name  H1') (residue 17 and name   H6)   3.80  2.00  0.70
assign (residue 17 and name  H2') (residue 17 and name   H5)   5.00  2.00  1.00
assign (residue 17 and name  H2') (residue 17 and name   H6)   3.80  2.00  0.70
assign (residue 17 and name  H3') (residue 17 and name   H5)   5.00  2.00  1.00
assign (residue 17 and name  H3') (residue 17 and name   H6)   2.50  0.70  0.50
assign (residue 17 and name  H4') (residue 17 and name   H6)   3.80  2.00  0.70
assign (residue 17 and name  H5') (residue 17 and name   H5)   6.00  2.00  1.00
assign (residue 17 and name  H5') (residue 17 and name   H6)   3.80  2.00  0.70
assign (residue 17 and name H5'') (residue 17 and name   H5)   6.00  2.00  1.00
assign (residue 17 and name H5'') (residue 17 and name   H6)   3.80  2.00  0.70

assign (residue 17 and name  H1') (residue 18 and name  H1')   6.00  2.00  1.00
assign (residue 17 and name  H1') (residue 18 and name   H5)   5.00  2.00  1.00
assign (residue 17 and name  H1') (residue 18 and name   H6)   5.00  2.00  1.00
assign (residue 17 and name  H2') (residue 18 and name  H1')   5.00  2.00  1.00
assign (residue 17 and name  H2') (residue 18 and name   H5)   3.80  2.00  0.70
assign (residue 17 and name  H2') (residue 18 and name   H6)   2.50  0.70  0.50
assign (residue 17 and name  H3') (residue 18 and name   H5)   3.80  2.00  0.70
assign (residue 17 and name  H3') (residue 18 and name   H6)   3.80  2.00  0.70
assign (residue 17 and name   H5) (residue 18 and name   H5)   3.80  2.00  0.70
assign (residue 17 and name   H6) (residue 18 and name   H5)   3.80  2.00  0.70
assign (residue 17 and name   H6) (residue 18 and name   H6)   5.00  2.00  1.00


{assign (residue 18 and name  H1') (residue 18 and name  H2')  2.80  0.40  0.40}
{assign (residue 18 and name  H1') (residue 18 and name  H3')  3.90  0.40  0.40}
{assign (residue 18 and name   H5) (residue 18 and name   H6)  2.15  0.35  0.35}
{assign (residue 18 and name  H1') (residue 18 and name  H4')   3.00  0.40  0.40}
{assign (residue 18 and name  H1') (residue 18 and name  H5')   5.00  2.00  1.00}
{assign (residue 18 and name  H1') (residue 18 and name H5'')   5.00  2.00  1.00}

assign (residue 18 and name  H1') (residue 18 and name   H5)   6.00  2.00  1.00
assign (residue 18 and name  H1') (residue 18 and name   H6)   3.80  2.00  0.70
assign (residue 18 and name  H2') (residue 18 and name   H5)   5.00  2.00  1.00
assign (residue 18 and name  H2') (residue 18 and name   H6)   3.80  2.00  0.70
assign (residue 18 and name  H3') (residue 18 and name   H5)   5.00  2.00  1.00
assign (residue 18 and name  H3') (residue 18 and name   H6)   2.50  0.70  0.50
assign (residue 18 and name  H4') (residue 18 and name   H6)   3.80  2.00  0.70
assign (residue 18 and name  H5') (residue 18 and name   H5)   5.00  2.00  1.00
assign (residue 18 and name  H5') (residue 18 and name   H6)   3.80  2.00  0.70
assign (residue 18 and name H5'') (residue 18 and name   H5)   5.00  2.00  1.00
assign (residue 18 and name H5'') (residue 18 and name   H6)   3.80  2.00  0.70

assign (residue 18 and name  H1') (residue 19 and name  H1')   5.00  2.00  1.00
assign (residue 18 and name  H1') (residue 19 and name   H5)   5.00  2.00  1.00
assign (residue 18 and name  H1') (residue 19 and name   H6)   5.00  2.00  0.70
assign (residue 18 and name  H2') (residue 19 and name   H5)   3.80  2.00  0.70
assign (residue 18 and name  H2') (residue 19 and name   H6)   2.50  0.70  0.50
assign (residue 18 and name  H3') (residue 19 and name   H5)   2.50  0.70  0.50
assign (residue 18 and name  H3') (residue 19 and name   H6)   2.50  0.70  0.50
assign (residue 18 and name   H5) (residue 19 and name   H5)   3.80  2.00  0.70
assign (residue 18 and name   H5) (residue 19 and name   H6)   5.00  2.00  1.00
assign (residue 18 and name   H6) (residue 19 and name   H5)   3.80  2.00  0.70
assign (residue 18 and name   H6) (residue 19 and name   H6)   3.80  2.00  0.70


{assign (residue 19 and name  H1') (residue 19 and name  H2')  2.80  0.40  0.40}
{assign (residue 19 and name  H1') (residue 19 and name  H3')  3.90  0.40  0.40}
{assign (residue 19 and name   H5) (residue 19 and name  H6)   2.15  0.35  0.35}
{assign (residue 19 and name  H1') (residue 19 and name  H4')  3.00  0.40  0.40}
{assign (residue 19 and name  H1') (residue 19 and name  H5')  5.00  2.00  1.00}
{assign (residue 19 and name  H1') (residue 19 and name H5'')  5.00  2.00  1.00}

assign (residue 19 and name  H1') (residue 19 and name   H5)   5.00  2.00  1.00
assign (residue 19 and name  H1') (residue 19 and name   H6)   3.80  2.00  0.70
assign (residue 19 and name  H2') (residue 19 and name   H5)   5.00  2.00  1.00
assign (residue 19 and name  H2') (residue 19 and name   H6)   3.80  2.00  0.70
assign (residue 19 and name  H3') (residue 19 and name   H5)   5.00  2.00  1.00
assign (residue 19 and name  H3') (residue 19 and name   H6)   2.50  0.70  0.50
assign (residue 19 and name  H5') (residue 19 and name   H5)   5.00  2.00  1.00
assign (residue 19 and name  H5') (residue 19 and name   H6)   3.80  2.00  0.70
{assign (residue 19 and name H5'') (residue 19 and name   H5)   6.00  2.00  1.00} {n.ass.}
assign (residue 19 and name H5'') (residue 19 and name   H6)   3.80  2.00  0.70

assign (residue 19 and name  H1') (residue 20 and name  H1')   5.00  2.00  1.00
assign (residue 19 and name  H1') (residue 20 and name   H8)   5.00  2.00  1.00
assign (residue 19 and name  H2') (residue 20 and name  H1')   3.80  2.00  0.70
assign (residue 19 and name  H2') (residue 20 and name   H8)   2.50  0.70  0.50
assign (residue 19 and name  H3') (residue 20 and name   H8)   3.80  2.00  0.70
assign (residue 19 and name  H4') (residue 20 and name   H8)   6.00  2.00  1.00
assign (residue 19 and name   H6) (residue 20 and name   H8)   6.00  2.00  0.70


{assign (residue 20 and name  H1') (residue 20 and name  H2')  2.80  0.40  0.40}
{assign (residue 20 and name  H1') (residue 20 and name  H3')  3.90  0.40  0.40}
{assign (residue 20 and name  H1') (residue 20 and name  H4')  3.00  0.40  0.40}
{assign (residue 20 and name  H1') (residue 20 and name  H5')  5.00  2.00  1.00}
{assign (residue 20 and name  H1') (residue 20 and name H5'')  5.00  2.00  1.00} {plus others}

assign (residue 20 and name  H1') (residue 20 and name   H8)   3.80  2.00  0.70
assign (residue 20 and name  H2') (residue 20 and name   H8)   4.20  2.00  0.70
assign (residue 20 and name  H3') (residue 20 and name   H8)   2.50  0.70  0.50
assign (residue 20 and name  H4') (residue 20 and name   H8)   5.00  2.00  1.00
assign (residue 20 and name  H5') (residue 20 and name   H8)   3.80  2.00  0.70
assign (residue 20 and name H5'') (residue 20 and name   H8)   2.50  0.70  0.50

assign (residue 20 and name   H2) (residue  8 and name  H1')   3.80  2.00  1.00
assign (residue 20 and name   H2) (residue 20 and name  H1')   5.00  2.00  1.00
assign (residue 20 and name   H2) (residue 21 and name  H1')   5.00  2.00  1.00
{assign (residue 20 and name  H1') (residue 21 and name  H1')   6.00  2.00  1.00} {n.ass}
assign (residue 20 and name  H1') (residue 21 and name   H5)   5.00  2.00  1.00
assign (residue 20 and name  H1') (residue 21 and name   H6)   5.00  2.00  1.00
assign (residue 20 and name  H2') (residue 21 and name   H5)   3.80  2.00  0.70
assign (residue 20 and name  H2') (residue 21 and name   H6)   2.50  0.70  0.50
assign (residue 20 and name  H3') (residue 21 and name   H5)   2.50  0.70  0.50
assign (residue 20 and name  H3') (residue 21 and name   H6)   2.50  0.70  0.50
assign (residue 20 and name   H8) (residue 21 and name   H5)   2.50  0.70  0.50
assign (residue 20 and name   H8) (residue 21 and name   H6)   5.00  2.00  1.00


{assign (residue 21 and name  H1') (residue 21 and name  H2')  2.80  0.40  0.40}
{assign (residue 21 and name  H1') (residue 21 and name  H3')  3.90  0.40  0.40}
{assign (residue 21 and name   H5) (residue 21 and name   H6)  2.15  0.35  0.35}
{assign (residue 21 and name  H1') (residue 21 and name  H4')  3.00  0.40  0.40} {n.ass}
{assign (residue 21 and name  H1') (residue 21 and name  H5')  5.00  2.00  1.00}
{assign (residue 21 and name  H1') (residue 21 and name H5'')  5.00  2.00  1.00}

assign (residue 21 and name  H1') (residue 21 and name   H5)   5.00  2.00  1.00
assign (residue 21 and name  H1') (residue 21 and name   H6)   3.80  2.00  0.70
assign (residue 21 and name  H2') (residue 21 and name   H5)   5.00  2.00  1.00
assign (residue 21 and name  H2') (residue 21 and name   H6)   3.80  2.00  0.70
assign (residue 21 and name  H3') (residue 21 and name   H5)   5.00  2.00  1.00
assign (residue 21 and name  H3') (residue 21 and name   H6)   2.50  0.70  0.50
assign (residue 21 and name  H5') (residue 21 and name   H5)   6.00  2.00  1.00
assign (residue 21 and name  H5') (residue 21 and name   H6)   3.80  2.00  0.70
assign (residue 21 and name H5'') (residue 21 and name   H5)   6.00  2.00  1.00
assign (residue 21 and name H5'') (residue 21 and name   H6)   3.80  2.00  0.70

assign (residue 21 and name  H1') (residue 22 and name  H1')   6.00  2.00  1.00
assign (residue 21 and name  H1') (residue 22 and name   H5)   6.00  2.00  1.00
assign (residue 21 and name  H1') (residue 22 and name   H6)   5.00  2.00  0.70
assign (residue 21 and name  H2') (residue 22 and name   H5)   3.80  2.00  0.70
assign (residue 21 and name  H2') (residue 22 and name   H6)   2.50  0.70  0.50
assign (residue 21 and name  H3') (residue 22 and name   H5)   3.80  2.00  0.70
assign (residue 21 and name  H3') (residue 22 and name   H6)   3.80  2.00  0.70
assign (residue 21 and name   H5) (residue 22 and name   H5)   3.80  2.00  0.70
assign (residue 21 and name   H6) (residue 22 and name   H5)   3.80  2.00  0.70
assign (residue 21 and name   H6) (residue 22 and name   H6)   5.00  2.00  1.00


{assign (residue 22 and name  H1') (residue 22 and name  H2')  2.80  0.40  0.40}
{assign (residue 22 and name  H1') (residue 22 and name  H3')  3.90  0.40  0.40}
{assign (residue 22 and name   H5) (residue 22 and name   H6)  2.15  0.35  0.35}
{assign (residue 22 and name  H1') (residue 22 and name  H4')  3.00  0.40  0.40}
{assign (residue 22 and name  H1') (residue 22 and name  H5')  5.00  2.00  1.00} {n.ass}
{assign (residue 22 and name  H1') (residue 22 and name H5'')  5.00  2.00  1.00} {n.ass}


assign (residue 22 and name  H1') (residue 22 and name   H5)   5.00  2.00  1.00
assign (residue 22 and name  H1') (residue 22 and name   H6)   3.80  2.00  0.50
assign (residue 22 and name  H2') (residue 22 and name   H1')  5.00  2.00  0.70
assign (residue 22 and name  H2') (residue 22 and name   H5)   5.00  2.00  1.00
assign (residue 22 and name  H2') (residue 22 and name   H6)   3.80  2.00  0.70
assign (residue 22 and name  H3') (residue 22 and name   H5)   5.00  2.00  1.00
assign (residue 22 and name  H3') (residue 22 and name   H6)   2.50  0.70  0.50
assign (residue 22 and name  H4') (residue 22 and name   H6)   3.80  2.00  0.70
{assign (residue 22 and name  H5') (residue 22 and name   H5)   6.00  2.00  1.00} {n.ass}
{assign (residue 22 and name  H5') (residue 22 and name   H6)   3.80  2.00  0.70} {n.ass}
{assign (residue 22 and name H5'') (residue 22 and name   H5)   6.00  2.00  1.00} {n.ass}
assign (residue 22 and name H5'') (residue 22 and name   H6)   3.80  2.00  0.70

assign (residue 22 and name  H1') (residue 23 and name  H1')   5.00  2.00  1.00
assign (residue 22 and name  H1') (residue 23 and name   H8)   5.00  2.00  0.70
assign (residue 22 and name  H2') (residue 23 and name  H1')   5.00  2.00  1.00
assign (residue 22 and name  H2') (residue 23 and name   H8)   2.50  0.70  0.50
assign (residue 22 and name  H3') (residue 23 and name   H8)   3.80  2.00  0.70
assign (residue 22 and name  H4') (residue 23 and name   H8)   6.00  2.00  1.00
assign (residue 22 and name   H6) (residue 23 and name   H8)   5.00  2.00  0.70

{assign (residue 23 and name  H1') (residue 23 and name  H2')  2.80  0.40  0.40}
{assign (residue 23 and name  H1') (residue 23 and name  H3')  3.90  0.40  0.40}
{assign (residue 23 and name  H1') (residue 23 and name  H4')  3.00  0.40  0.40} {n.ass.}
{assign (residue 23 and name  H1') (residue 23 and name  H5')  5.00  2.00  1.00}
{assign (residue 23 and name  H1') (residue 23 and name H5'')  5.00  2.00  1.00} 

assign (residue 23 and name  H1') (residue 23 and name   H8)   3.80  2.00  0.70
assign (residue 23 and name  H2') (residue 23 and name   H8)   3.80  2.00  0.70
assign (residue 23 and name  H3') (residue 23 and name   H8)   2.50  0.70  0.50
assign (residue 23 and name  H4') (residue 23 and name   H8)   5.00  2.00  1.00
assign (residue 23 and name  H5') (residue 23 and name   H8)   3.80  2.00  0.70
assign (residue 23 and name H5'') (residue 23 and name   H8)   5.00  2.00  1.00


assign (residue 23 and name  H1') (residue 24 and name  H1')   6.00  2.00  1.00
assign (residue 23 and name  H1') (residue 24 and name   H5)   5.00  2.00  0.70
assign (residue 23 and name  H1') (residue 24 and name   H6)   5.00  2.00  0.70
assign (residue 23 and name  H2') (residue 24 and name   H5)   2.50  0.70  0.50
assign (residue 23 and name  H2') (residue 24 and name   H6)   2.50  0.70  0.50
assign (residue 23 and name  H3') (residue 24 and name   H5)   3.80  2.00  0.70
assign (residue 23 and name  H3') (residue 24 and name   H6)   3.80  2.00  0.70
assign (residue 23 and name   H8) (residue 24 and name   H5)   3.80  2.00  0.70
assign (residue 23 and name   H8) (residue 24 and name   H6)   5.00  2.00  0.70


{assign (residue 24 and name  H1') (residue 24 and name  H2')  2.80  0.40  0.40}
{assign (residue 24 and name  H1') (residue 24 and name  H3')  3.90  0.40  0.40}
{assign (residue 24 and name   H5) (residue 24 and name   H6)  2.15  0.35  0.35}
{assign (residue 24 and name  H1') (residue 24 and name  H4')  3.00  0.40  0.40} {n.ass.}
{assign (residue 24 and name  H1') (residue 24 and name  H5')  5.00  2.00  1.00} {n.ass.}
{assign (residue 24 and name  H1') (residue 24 and name H5'')  5.00  2.00  1.00} {n.ass.}

assign (residue 24 and name  H1') (residue 24 and name   H5)   5.00  2.00  1.00
assign (residue 24 and name  H1') (residue 24 and name   H6)   3.80  2.00  0.70
assign (residue 24 and name  H2') (residue 24 and name   H5)   5.00  2.00  1.00
assign (residue 24 and name  H2') (residue 24 and name   H6)   3.80  2.00  0.70
assign (residue 24 and name  H3') (residue 24 and name   H5)   5.00  2.00  1.00
assign (residue 24 and name  H3') (residue 24 and name   H6)   2.50  0.70  0.50
{assign (residue 24 and name  H5') (residue 24 and name   H5)   6.00  2.00  1.00} {n.ass.}
{assign (residue 24 and name  H5') (residue 24 and name   H6)   3.80  2.00  0.70} {n.ass.}
{assign (residue 24 and name H5'') (residue 24 and name   H5)   5.00  2.00  1.00} {n.ass.}
{assign (residue 24 and name H5'') (residue 24 and name   H6)   3.80  2.00  0.70} {n.ass.}

assign (residue 24 and name  H1') (residue 25 and name  H1')   6.00  2.00  1.00
assign (residue 24 and name  H1') (residue 25 and name   H5)   5.00  2.00  1.00
assign (residue 24 and name  H1') (residue 25 and name   H6)   5.00  2.00  0.70
assign (residue 24 and name  H2') (residue 25 and name   H5)   2.50  0.70  0.50
assign (residue 24 and name  H2') (residue 25 and name   H6)   2.50  0.70  0.50
assign (residue 24 and name  H3') (residue 25 and name   H5)   3.80  2.00  0.70
assign (residue 24 and name  H3') (residue 25 and name   H6)   3.80  2.00  0.70
assign (residue 24 and name   H5) (residue 25 and name   H5)   3.80  2.00  0.70
assign (residue 24 and name   H5) (residue 25 and name   H6)   6.00  2.00  1.00
assign (residue 24 and name   H6) (residue 25 and name   H5)   3.80  2.00  0.70
assign (residue 24 and name   H6) (residue 25 and name   H6)   5.00  2.00  0.70


{assign (residue 25 and name  H1') (residue 25 and name  H2')  2.80  0.40  0.40}
{assign (residue 25 and name  H1') (residue 25 and name  H3')  3.90  0.40  0.40}
{assign (residue 25 and name   H5) (residue 25 and name   H6)  2.15  0.35  0.35}
{assign (residue 25 and name  H1') (residue 25 and name  H4')  3.00  0.40  0.40}
{assign (residue 25 and name  H1') (residue 25 and name  H5')  5.00  2.00  1.00} 
{assign (residue 25 and name  H1') (residue 25 and name H5'')  5.00  2.00  1.00}

assign (residue 25 and name  H1') (residue 25 and name   H5)   5.00  2.00  1.00
assign (residue 25 and name  H1') (residue 25 and name   H6)   3.80  2.00  0.70
assign (residue 25 and name  H2') (residue 25 and name   H5)   5.00  2.00  1.00
assign (residue 25 and name  H2') (residue 25 and name   H6)   3.80  2.00  0.70
assign (residue 25 and name  H3') (residue 25 and name   H5)   5.00  2.00  1.00
assign (residue 25 and name  H3') (residue 25 and name   H6)   2.50  0.70  0.50
assign (residue 25 and name  H4') (residue 25 and name   H5)   6.00  2.00  1.00
assign (residue 25 and name  H4') (residue 25 and name   H6)   3.80  2.00  0.70
assign (residue 25 and name  H5') (residue 25 and name   H5)   5.00  2.00  1.00
assign (residue 25 and name  H5') (residue 25 and name   H6)   3.80  2.00  0.70
assign (residue 25 and name H5'') (residue 25 and name   H5)   6.00  2.00  1.00
assign (residue 25 and name H5'') (residue 25 and name   H6)   3.80  2.00  0.70

assign (residue 25 and name  H1') (residue 26 and name  H1')   5.00  2.00  1.00
assign (residue 25 and name  H1') (residue 26 and name   H5)   6.00  2.00  1.00
assign (residue 25 and name  H1') (residue 26 and name   H6)   5.00  2.00  1.00
assign (residue 25 and name  H2') (residue 26 and name   H5)   3.80  2.00  0.70
assign (residue 25 and name  H2') (residue 26 and name   H6)   2.50  0.70  0.50
assign (residue 25 and name  H3') (residue 26 and name   H5)   3.80  2.00  0.70
assign (residue 25 and name  H3') (residue 26 and name   H6)   3.80  2.00  0.70
assign (residue 25 and name   H5) (residue 26 and name   H5)   6.00  2.00  0.70
{assign (residue 25 and name   H5) (residue 26 and name  H1')  6.00  2.00  1.00}
assign (residue 25 and name   H5) (residue 26 and name   H6)   5.00  2.00  1.00
assign (residue 25 and name   H6) (residue 26 and name   H5)   5.00  2.00  0.70
assign (residue 25 and name   H6) (residue 26 and name   H6)   5.00  2.00  1.00


{assign (residue 26 and name  H1') (residue 26 and name  H2')  2.80  0.40  0.40}
{assign (residue 26 and name   H5) (residue 26 and name   H6)  2.15  0.35  0.35}
{assign (residue 26 and name  H1') (residue 26 and name  H4')  3.00  0.40  0.40} {n.ass.}
{assign (residue 26 and name  H1') (residue 26 and name  H5')  5.00  2.00  1.00} {n.ass.}
{assign (residue 26 and name  H1') (residue 26 and name H5'')  5.00  2.00  1.00} {n.ass.}

assign (residue 26 and name  H1') (residue 26 and name   H5)   5.00  2.00  1.00
assign (residue 26 and name  H1') (residue 26 and name   H6)   3.80  2.00  0.70
assign (residue 26 and name  H2') (residue 26 and name   H5)   5.00  2.00  1.00
assign (residue 26 and name  H2') (residue 26 and name   H6)   3.80  2.00  0.70
assign (residue 26 and name  H3') (residue 26 and name   H5)   5.00  2.00  1.00
assign (residue 26 and name  H3') (residue 26 and name   H6)   2.50  0.70  0.50
{assign (residue 26 and name  H5') (residue 26 and name   H5)   6.00  2.00  1.00} {n.ass.}
{assign (residue 26 and name  H5') (residue 26 and name   H6)   3.80  2.00  0.70} {n.ass.}
{assign (residue 26 and name H5'') (residue 26 and name   H5)   6.00  2.00  1.00} {n.ass.}
{assign (residue 26 and name H5'') (residue 26 and name   H6)   3.80  2.00  0.70} {n.ass.}

assign (residue 26 and name  H1') (residue 27 and name  H1')   6.00  2.00  1.00
assign (residue 26 and name  H1') (residue 27 and name   H5)   6.00  2.00  1.00
assign (residue 26 and name  H1') (residue 27 and name   H6)   5.00  2.00  0.70
assign (residue 26 and name  H2') (residue 27 and name   H5)   3.80  2.00  0.70
assign (residue 26 and name  H2') (residue 27 and name   H6)   2.50  0.70  0.50
assign (residue 26 and name  H2') (residue 27 and name  H1')   5.00  2.00  0.70
assign (residue 26 and name  H3') (residue 27 and name   H5)   3.80  2.00  0.70
assign (residue 26 and name  H3') (residue 27 and name   H6)   3.80  2.00  0.70
assign (residue 26 and name   H5) (residue 27 and name   H5)   5.00  2.00  0.70
assign (residue 26 and name   H6) (residue 27 and name   H5)   5.00  2.00  0.70
assign (residue 26 and name   H6) (residue 27 and name   H6)   5.00  2.00  0.70


{assign (residue 27 and name  H1') (residue 27 and name  H2')  2.80  0.40  0.40}
{assign (residue 27 and name  H1') (residue 27 and name  H3')  3.90  0.40  0.40}
{assign (residue 27 and name   H5) (residue 27 and name   H6)  2.15  0.35  0.35}
{assign (residue 27 and name  H1') (residue 27 and name  H4')  3.00  0.40  0.40}
{assign (residue 27 and name  H1') (residue 27 and name  H5')  5.00  2.00  1.00} {n.ass.}
{assign (residue 27 and name  H1') (residue 27 and name H5'')  5.00  2.00  1.00} {n.ass.}

assign (residue 27 and name  H1') (residue 27 and name   H5)   5.00  2.00  1.00
assign (residue 27 and name  H1') (residue 27 and name   H6)   3.80  2.00  0.70
assign (residue 27 and name  H2') (residue 27 and name   H5)   5.00  2.00  1.00
assign (residue 27 and name  H2') (residue 27 and name   H6)   3.80  2.00  0.70
assign (residue 27 and name  H3') (residue 27 and name   H5)   5.00  2.00  1.00
assign (residue 27 and name  H3') (residue 27 and name   H6)   2.50  0.70  0.50
assign (residue 27 and name  H4') (residue 27 and name   H5)   5.00  2.00  1.00
assign (residue 27 and name  H4') (residue 27 and name   H6)   3.80  2.00  0.70
assign (residue 27 and name  H5') (residue 27 and name   H5)   5.00  2.00  1.00
assign (residue 27 and name  H5') (residue 27 and name   H6)   3.80  2.00  0.70
assign (residue 27 and name H5'') (residue 27 and name   H5)   6.00  2.00  1.00
assign (residue 27 and name H5'') (residue 27 and name   H6)   3.80  2.00  0.70


{distance constraint list for Xplor}
{d6 short, 5'GGAG..., 27mer}
{first conformation identified in WATERGATE NOESY}
{distances based on:}
{122604 #2  h2o, 275K, 0.6 mM, 100 mM KCl, pD=6.9, 700 MHz}
{compared to ?????? #?  h2o, 283K, 0.6 mM, 100 mM KCl, pD=6.9, 700 MHz}

{G1--C27}
{assign (residue  1 and name  H2') (residue  1 and name   H8)}
{assign (residue  1 and name   H1) (residue  1 and name  H22)  2.20  0.40  0.40}
{assign (residue  1 and name   H1) (residue  1 and name   H8)  6.00  2.00  1.00}

assign (residue  1 and name   H1) (residue  2 and name  H1')  6.00  2.00  1.00
assign (residue  1 and name   H1) (residue  2 and name   H1)  5.00  2.00  1.00

assign (residue  1 and name   H1) (residue 27 and name  H1')  5.00  2.00  0.70
assign (residue  1 and name   H1) (residue 27 and name  H41)  3.80  2.00  0.70
assign (residue  1 and name   H1) (residue 27 and name  H42)  5.00  2.00  1.00
assign (residue  1 and name   H1) (residue 27 and name   H5)  5.00  2.00  1.00

{G2--C26}
assign (residue  2 and name   H1) (residue  3 and name  H1')  6.00  2.00  1.00
assign (residue  2 and name   H1) (residue  3 and name   H2)  5.00  2.00  1.00
assign (residue  2 and name   H1) (residue  3 and name  H61)  3.80  2.00  1.00
assign (residue  2 and name   H1) (residue 25 and name   H3)  5.00  2.00  1.00
assign (residue  2 and name   H1) (residue 26 and name  H41)  2.00  0.20  0.40
assign (residue  2 and name   H1) (residue 26 and name  H42)  3.60  0.40  0.40
assign (residue  2 and name   H1) (residue 27 and name  H1')  6.00  2.00  0.70
assign (residue  2 and name   H1) (residue 27 and name  H41)  5.00  2.00  1.00

{G4--C24}
{assign (residue  4 and name   H1) (residue  4 and name  H21) 2.20  0.40  0.40}
{assign (residue  4 and name   H1) (residue  4 and name  H22) 3.00  0.40  0.40}
assign  (residue 4 and name   H1) (residue 4 and name  H1')   5.00  2.00  1.00
assign  (residue 4 and name   H1) (residue 4 and name  H2')   6.00  2.00  1.00
assign  (residue 4 and name   H1) (residue 4 and name  H3')   6.00  2.00  1.00

assign (residue  4 and name   H1) (residue  3 and name   H2)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue  5 and name  H1')  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue  5 and name  H41)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue  5 and name  H42)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue  5 and name   H6)  6.00  2.00  1.00
assign (residue  4 and name   H1) (residue 23 and name   H1)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue 24 and name  H1')  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue 24 and name  H2')  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue 24 and name  H41)  2.00  0.20  0.40
assign (residue  4 and name   H1) (residue 24 and name  H42)  3.60  0.40  0.40
assign (residue  4 and name   H1) (residue 24 and name   H5)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue 24 and name   H6)  6.00  2.00  1.00
assign (residue  4 and name   H1) (residue 25 and name   H3)  3.80  2.00  0.70
assign (residue  4 and name   H1) (residue 25 and name   H5)  5.00  2.00  1.00
assign (residue  4 and name   H1) (residue 25 and name   H6)  5.00  2.00  1.00

{C5--G23}
{assign (residue  5 and name  H41) (residue  5 and name  H42)}
{assign (residue  5 and name  H42) (residue  5 and name   H6)}

assign (residue  5 and name  H41) (residue  22 and name  H42) 3.80  2.00  1.00
assign (residue  5 and name  H42) (residue  22 and name  H41) 5.00  2.00  1.00
assign (residue  5 and name  H41) (residue  24 and name  H41) 5.00  2.00  1.00
assign (residue  5 and name  H42) (residue  24 and name  H41) 3.80  2.00  1.00

{G6--C22}
{assign (residue  6 and name   H1) (residue  6 and name  H21)}
assign (residue  6 and name   H1) (residue  6 and name  H1')  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue  6 and name  H2')  6.00  2.00  1.00

assign (residue  6 and name   H1) (residue  5 and name  H41)  5.00  2.00  1.00
assign (residue  6 and name   H1) (residue  5 and name  H42)  6.00  2.00  0.70
assign (residue  6 and name   H1) (residue  7 and name  H1')  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue  7 and name   H8)  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue 21 and name   H3)  5.00  2.00  1.00
assign (residue  6 and name   H1) (residue 21 and name   H6)  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue 22 and name  H1')  5.00  2.00  1.00
assign (residue  6 and name   H1) (residue 22 and name  H41)  2.00  0.20  0.40
assign (residue  6 and name   H1) (residue 22 and name  H42)  3.60  0.40  0.40
assign (residue  6 and name   H1) (residue 22 and name   H6)  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue 23 and name   H1)  3.80  2.00  1.00
assign (residue  6 and name   H1) (residue 23 and name  H1')  6.00  2.00  1.00
assign (residue  6 and name   H1) (residue 23 and name  H2')  6.00  2.00  1.00

{G7--U21}

{G8--U14}
{assign (residue  8 and name   H1) (residue  8 and name  H21)}
assign (residue  8 and name   H1) (residue  8 and name  H1')  6.00  2.00  1.00

assign (residue  8 and name   H1) (residue  9 and name   H1)  3.80  2.00  0.70
assign (residue  8 and name   H1) (residue 18 and name  H2')  6.00  2.00  1.00
assign (residue  8 and name   H1) (residue 18 and name  H3')  6.00  2.00  1.00
assign (residue  8 and name   H1) (residue 19 and name  H1')  3.80  2.00  1.00
assign (residue  8 and name   H1) (residue 19 and name  H2')  5.00  2.00  1.00
assign (residue  8 and name   H1) (residue 19 and name  H3')  6.00  2.00  1.00
assign (residue  8 and name   H1) (residue 19 and name   H3)  2.00  0.20  0.40
assign (residue  8 and name   H1) (residue 20 and name  H1')  6.00  2.00  1.00
assign (residue  8 and name   H1) (residue 20 and name   H8)  6.00  2.00  1.00

{G9--C18}
{assign (residue  9 and name   H1) (residue  9 and name   H8)}
{assign (residue  9 and name   H1) (residue  9 and name  H21)}
{assign (residue  9 and name   H1) (residue  9 and name  H22)}
assign (residue  9 and name   H1) (residue  9 and name  H1')  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue  9 and name  H2')  6.00  2.00  1.00

assign (residue  9 and name   H1) (residue 10 and name   H1)  3.80  2.00  1.00
assign (residue  9 and name   H1) (residue 10 and name  H1')  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 10 and name  H2')  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 10 and name  H21)  3.80  2.00  1.00
assign (residue  9 and name   H1) (residue 17 and name  H2')  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 17 and name  H5)   6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 17 and name  H6)   6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 17 and name  H41)  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 17 and name  H42)  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 18 and name  H1')  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 18 and name  H2')  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 18 and name  H3')  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 18 and name  H41)  2.00  0.20  0.40
assign (residue  9 and name   H1) (residue 18 and name  H42)  3.60  0.40  0.40
assign (residue  9 and name   H1) (residue 18 and name   H5)  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 18 and name   H6)  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 19 and name  H2')  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 19 and name   H3)  5.00  2.00  1.00
assign (residue  9 and name   H1) (residue 19 and name   H5)  6.00  2.00  1.00
assign (residue  9 and name   H1) (residue 19 and name   H6)  6.00  2.00  1.00

{G10--C17}
{assign (residue 10 and name   H1) (residue 10 and name  H21)}
{assign (residue 10 and name   H1) (residue 10 and name  H22)}
assign (residue 10 and name   H1) (residue 10 and name  H2')  6.00  2.00  1.00

assign (residue 10 and name   H1) (residue 11 and name   H3)  3.80  2.00  1.00
assign (residue 10 and name   H1) (residue 16 and name   H2)  3.80  2.00  1.00
assign (residue 10 and name   H1) (residue 16 and name  H2')  6.00  2.00  1.00
assign (residue 10 and name   H1) (residue 16 and name  H61)  3.80  2.00  1.00
assign (residue 10 and name   H1) (residue 17 and name   H5)  5.00  2.00  1.00
assign (residue 10 and name   H1) (residue 17 and name  H2')  5.00  2.00  1.00
assign (residue 10 and name   H1) (residue 17 and name  H41)  2.00  0.20  0.40
assign (residue 10 and name   H1) (residue 17 and name  H42)  3.60  0.40  0.40
assign (residue 10 and name   H1) (residue 18 and name  H1')  5.00  2.00  1.00
assign (residue 10 and name   H1) (residue 18 and name  H41)  3.80  2.00  1.00
assign (residue 10 and name   H1) (residue 18 and name  H42)  3.80  2.00  1.00
assign (residue 10 and name   H1) (residue 18 and name   H5)  5.00  2.00  1.00
assign (residue 10 and name   H1) (residue 18 and name   H6)  6.00  2.00  1.00

{U11--A16}
{assign (residue 11 and name   H3) (residue 11 and name   H5)}
{assign (residue 11 and name   H3) (residue 11 and name   H6)}
assign (residue 11 and name   H3) (residue 11 and name  H1')  5.00  2.00  1.00

assign (residue 11 and name   H3) (residue 16 and name   H2)  2.50  0.70  0.50
assign (residue 11 and name   H3) (residue 16 and name  H61)  2.20  0.20  0.20
assign (residue 11 and name   H3) (residue 16 and name  H62)  3.80  0.40  0.40
assign (residue 11 and name   H3) (residue 10 and name  H2')  6.00  2.00  1.00
assign (residue 11 and name   H3) (residue 12 and name   H1)  5.00  2.00  1.00
assign (residue 11 and name   H3) (residue 12 and name  H1')  5.00  2.00  1.00
assign (residue 11 and name   H3) (residue 17 and name  H1')  6.00  2.00  1.00
assign (residue 11 and name   H3) (residue 17 and name  H2')  6.00  2.00  1.00
assign (residue 11 and name   H3) (residue 17 and name  H41)  3.80  2.00  0.70

{G12}
{assign (residue 12 and name   H1) (residue 12 and name  H21)}
assign (residue  12 and name   H1) (residue 11 and name   H5)  6.00  2.00  1.00
assign (residue  12 and name   H1) (residue 14 and name  H3')  5.00  2.00  1.00
assign (residue  12 and name   H1) (residue 14 and name  H5')  6.00  2.00  1.00
assign (residue  12 and name   H1) (residue 14 and name H5'')  5.00  2.00  1.00
assign (residue  12 and name   H1) (residue 15 and name   H8)  6.00  2.00  1.00
assign (residue  12 and name   H1) (residue 16 and name  H61)  3.80  2.00  1.00

{C17--C10}
{assign (residue 17 and name  H41) (residue 17 and name  H42)}
assign (residue 17 and name  H41) (residue 16 and name   H2)  6.00  2.00  1.00
assign (residue 17 and name  H42) (residue 16 and name   H2)  5.00  2.00  1.00

{C18--G9}
{assign (residue 18 and name   H5) (residue 18 and name   H6)}
{assign (residue 18 and name  H42) (residue 18 and name   H5)}
{assign (residue 18 and name  H41) (residue 18 and name  H42)}
{assign (residue 18 and name  H41) (residue 18 and name   H5)}

{U19--G8}
assign (residue 19 and name   H3) (residue 19 and name  H2')  5.00  2.00  1.00

assign (residue 19 and name   H3) (residue  8 and name  H21)  3.80  2.00  1.00
assign (residue 19 and name   H3) (residue  9 and name  H21)  5.00  2.00  1.00
assign (residue 19 and name   H3) (residue  9 and name  H22)  6.00  2.00  1.00
assign (residue 19 and name   H3) (residue 18 and name  H41)  3.80  2.00  1.00
assign (residue 19 and name   H3) (residue 18 and name  H42)  5.00  2.00  1.00
assign (residue 19 and name   H3) (residue 18 and name   H5)  5.00  2.00  1.00
assign (residue 19 and name   H3) (residue 20 and name   H8)  5.00  2.00  1.00

{A20}
{assign (residue 20 and name  H1') (residue 20 and name   H8)}
{assign (residue 20 and name   H8) (residue 21 and name   H6)}

{U21}
assign  (residue 21 and name   H3) (residue  8 and name  H1')  6.00  2.00  1.00
assign  (residue 21 and name   H3) (residue 20 and name  H1')  6.00  2.00  1.00
assign  (residue 21 and name   H3) (residue 22 and name   H5)  6.00  2.00  1.00

{C22--G6}
{assign (residue 22 and name  H41) (residue 22 and name  H42)}
{assign (residue 22 and name  H41) (residue 22 and name   H5)}
{assign (residue 22 and name  H42) (residue 22 and name   H5)}
{assign (residue 22 and name   H5) (residue 22 and name   H6)}

{G23--C5}
assign (residue 23 and name   H1) (residue 23 and name  H1')  6.00  2.00  1.00
assign (residue 23 and name   H1) (residue 23 and name  H2')  6.00  2.00  1.00

assign (residue 23 and name   H1) (residue  5 and name  H1')  5.00  2.00  1.00
assign (residue 23 and name   H1) (residue  5 and name  H41)  2.00  0.20  0.40
assign (residue 23 and name   H1) (residue  5 and name  H42)  3.60  0.40  0.40
assign (residue 23 and name   H1) (residue  5 and name   H6)  6.00  2.00  1.00

assign (residue 23 and name   H1) (residue  4 and name  H21)  6.00  2.00  1.00
assign (residue 23 and name   H1) (residue  4 and name  H22)  6.00  2.00  1.00
assign (residue 23 and name   H1) (residue  6 and name  H1')  6.00  2.00  1.00
assign (residue 23 and name   H1) (residue  6 and name  H21)  5.00  2.00  1.00
assign (residue 23 and name   H1) (residue 22 and name  H41)  3.80  2.00  1.00
assign (residue 23 and name   H1) (residue 24 and name  H41)  3.80  2.00  1.00
assign (residue 23 and name   H1) (residue 24 and name  H42)  3.80  2.00  1.00
assign (residue 23 and name   H1) (residue 24 and name   H5)  6.00  2.00  1.00
assign (residue 23 and name   H1) (residue 24 and name   H6)  6.00  2.00  1.00

{C24--G4}
{assign (residue 24 and name  H41) (residue 24 and name  H42)}
{assign (residue 24 and name  H41) (residue 24 and name   H5)}
{assign (residue 24 and name   H5) (residue 24 and name   H6)}

{U25--A3}
{assign (residue 25 and name   H3) (residue 25 and name   H5)}
{assign (residue 25 and name   H5) (residue 25 and name   H6)}
assign (residue 25 and name   H3) (residue 25 and name  H1')  5.00  2.00  1.00

assign (residue 25 and name   H3) (residue  3 and name   H2)  3.80  2.00  0.70
assign (residue 25 and name   H3) (residue  3 and name  H61)  2.00  0.20  0.40
assign (residue 25 and name   H3) (residue  3 and name  H62)  3.80  0.30  0.40
assign (residue 25 and name   H3) (residue 24 and name  H41)  3.80  2.00  1.00
assign (residue 25 and name   H3) (residue 24 and name  H2')  5.00  2.00  1.00
assign (residue 25 and name   H3) (residue 26 and name  H1')  6.00  2.00  1.00
assign (residue 25 and name   H3) (residue 26 and name  H41)  5.00  2.00  1.00
assign (residue 25 and name   H3) (residue 4 and name  H1')   5.00  2.00  1.00

{C26--G2}
{assign (residue 26 and name  H41) (residue 26 and name  H42)}
{assign (residue 26 and name  H41) (residue 26 and name   H5)}
{assign (residue 26 and name  H42) (residue 26 and name   H5)}
{assign (residue 26 and name   H5) (residue 26 and name   H6)}

{C27--G1}
{assign (residue 27 and name  H41) (residue 27 and name  H42)}
{assign (residue 27 and name  H41) (residue 27 and name   H5)}
{assign (residue 27 and name  H42) (residue 27 and name   H5)}
{assign (residue 27 and name   H5) (residue 27 and name   H6)}


{d6short_hbond.xplor}
{additional constraint list for base pairs, whose existence is proven by}
{e.g. imino-NOESY, or Jhnn coupling}
{remark: G7-U21 not yet verified} 

 {GUA  1                       CYT 27}
assi (resi   1 and name    H1) (resi  27 and name    N3)  1.90  0.20  0.20
assi (resi   1 and name    N1) (resi  27 and name    N3)  2.90  0.30  0.30
assi (resi   1 and name    O6) (resi  27 and name   H41)  2.00  0.20  0.20
assi (resi   1 and name    O6) (resi  27 and name    N4)  2.90  0.30  0.30
assi (resi   1 and name   H21) (resi  27 and name    O2)  2.00  0.20  0.20
assi (resi   1 and name    N2) (resi  27 and name    O2)  2.90  0.30  0.30

     {GUA  2                       CYT 26}
assi (resi   2 and name    H1) (resi  26 and name    N3)  1.90  0.20  0.20
assi (resi   2 and name    N1) (resi  26 and name    N3)  2.90  0.30  0.30
assi (resi   2 and name    O6) (resi  26 and name   H41)  2.00  0.20  0.20
assi (resi   2 and name    O6) (resi  26 and name    N4)  2.90  0.30  0.30
assi (resi   2 and name   H21) (resi  26 and name    O2)  2.00  0.20  0.20
assi (resi   2 and name    N2) (resi  26 and name    O2)  2.90  0.30  0.30

     {ADE  3                       URI 25}
assi (resi   3 and name    N1) (resi  25 and name    H3)  1.90  0.20  0.20
assi (resi   3 and name    N1) (resi  25 and name    N3)  2.90  0.30  0.30
assi (resi   3 and name   H61) (resi  25 and name    O4)  2.00  0.20  0.20
assi (resi   3 and name    N6) (resi  25 and name    O4)  2.90  0.30  0.30

     {GUA  4                       CYT 24}
assi (resi   4 and name    H1) (resi  24 and name    N3)  1.90  0.20  0.20
assi (resi   4 and name    N1) (resi  24 and name    N3)  2.90  0.30  0.30
assi (resi   4 and name    O6) (resi  24 and name   H41)  2.00  0.20  0.20
assi (resi   4 and name    O6) (resi  24 and name    N4)  2.90  0.30  0.30
assi (resi   4 and name   H21) (resi  24 and name    O2)  2.00  0.20  0.20
assi (resi   4 and name    N2) (resi  24 and name    O2)  2.90  0.30  0.30

     {CYT  5                       GUA 23}
assi (resi   5 and name    N3) (resi  23 and name    H1)  1.90  0.20  0.20
assi (resi   5 and name    N3) (resi  23 and name    N1)  2.90  0.30  0.30
assi (resi   5 and name   H41) (resi  23 and name    O6)  2.00  0.20  0.20
assi (resi   5 and name    N4) (resi  23 and name    O6)  2.90  0.30  0.30
assi (resi   5 and name    O2) (resi  23 and name   H21)  2.00  0.20  0.20
assi (resi   5 and name    O2) (resi  23 and name    N2)  2.90  0.30  0.30

     {GUA  6                       CYT 22}
assi (resi   6 and name    H1) (resi  22 and name    N3)  1.90  0.20  0.20
assi (resi   6 and name    N1) (resi  22 and name    N3)  2.90  0.30  0.30
assi (resi   6 and name    O6) (resi  22 and name   H41)  2.00  0.20  0.20
assi (resi   6 and name    O6) (resi  22 and name    N4)  2.90  0.30  0.30
assi (resi   6 and name   H21) (resi  22 and name    O2)  2.00  0.20  0.20
assi (resi   6 and name    N2) (resi  22 and name    O2)  2.90  0.30  0.30

     {GUA  7                       URI 21}
{assi (resi   7 and name    H1) (resi  21 and name    H3)  1.90  0.10  0.30}  {larger uplim}{out 17.02 me}
{assi (resi   7 and name    H1) (resi  21 and name    O2)  1.90  0.10  0.30}  {larger uplim}{out 17.02 me}
{assi (resi   7 and name    N1) (resi  21 and name    O2)  2.90  0.10  0.30}  {larger uplim}{out 17.02 me}
{assi (resi   7 and name    O6) (resi  21 and name    H3)  1.90  0.10  0.30}  {larger uplim}{out 17.02 me}
{assi (resi   7 and name    O6) (resi  21 and name    N3)  2.90  0.10  0.30}  {larger uplim}{out 17.02 me}

     {GUA  8                       URI 19}
assi (resi   8 and name    H1) (resi  19 and name    H3)  1.90  0.10  0.20
assi (resi   8 and name    H1) (resi  19 and name    O2)  1.90  0.10  0.20
assi (resi   8 and name    N1) (resi  19 and name    O2)  2.90  0.10  0.20
assi (resi   8 and name    O6) (resi  19 and name    H3)  1.90  0.10  0.20
assi (resi   8 and name    O6) (resi  19 and name    N3)  2.90  0.10  0.20

     {GUA  9                       CYT 18}
assi (resi   9 and name    H1) (resi  18 and name    N3)  1.90  0.20  0.20
assi (resi   9 and name    N1) (resi  18 and name    N3)  2.90  0.30  0.30
assi (resi   9 and name    O6) (resi  18 and name   H41)  2.00  0.20  0.20
assi (resi   9 and name    O6) (resi  18 and name    N4)  2.90  0.30  0.30
assi (resi   9 and name   H21) (resi  18 and name    O2)  2.00  0.20  0.20
assi (resi   9 and name    N2) (resi  18 and name    O2)  2.90  0.30  0.30

     {GUA  10                       CYT 17}
assi (resi   10 and name    H1) (resi  17 and name    N3)  1.90  0.20  0.20
assi (resi   10 and name    N1) (resi  17 and name    N3)  2.90  0.30  0.30
assi (resi   10 and name    O6) (resi  17 and name   H41)  2.00  0.20  0.20
assi (resi   10 and name    O6) (resi  17 and name    N4)  2.90  0.30  0.30
assi (resi   10 and name   H21) (resi  17 and name    O2)  2.00  0.20  0.20
assi (resi   10 and name    N2) (resi  17 and name    O2)  2.90  0.30  0.30

     {URI  11                       ADE 16}
assi (resi   11 and name    H3) (resi  16 and name    N1)  1.90  0.20  0.20
assi (resi   11 and name    N3) (resi  16 and name    N1)  2.90  0.30  0.30
assi (resi   11 and name    O4) (resi  16 and name   H61)  2.00  0.20  0.20
assi (resi   11 and name    O4) (resi  16 and name    N6)  2.90  0.30  0.30

     {GUA  12                       ADE 15}
assi (resi   12 and name   H22) (resi  15 and name    N7)  2.00  0.10  0.20
assi (resi   12 and name    N2) (resi  15 and name    N7)  2.90  0.10  0.20
assi (resi   12 and name    N3) (resi  15 and name   H62)  2.00  0.10  0.20
assi (resi   12 and name    N3) (resi  15 and name    N6)  2.50  0.10  0.20

{temporarily added}
{assi (resi   12 and name    N3) (resi  15 and name    N6)  2.50  0.10  0.20}
{assi (resi   12 and name    N2) (resi  15 and name    N7)  2.50  0.10  0.20}


     
{phosphate-sugar-backbone dihedral angle restraints}
{of south sugars only alpha and zeta is constrained}


restraints dihedral
 nassign=1000

{G1} {*south*}
{ assign  ( resi 1 and name O5'  )}                        
{         ( resi 1 and name C5'  )}                        
{         ( resi 1 and name C4'  )}                       
{         ( resi 1 and name C3'  )   20.0   47.44    10.0  2} {*gamma*}
                                    
{ assign  ( resi 1 and name C4'  )}                        
{         ( resi 1 and name C3'  )}                        
{         ( resi 1 and name O3'  )}                        
{         ( resi 2 and name P    )   20.0   -151.7   10.0  2} {*epsilon*}
                                    
{ assign  ( resi 1 and name C3'  )}                        
{         ( resi 1 and name O3'  )}                        
{         ( resi 2 and name P    )}                        
{         ( resi 2 and name O5'  )   20.0   -73.6    10.0  2} {*zeta*}

{G2}                                    
 assign ( resi 1 and name O3'  )                        
        ( resi 2 and name P    )                        
        ( resi 2 and name O5'  )                        
        ( resi 2 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign ( resi 2 and name P    )                        
        ( resi 2 and name O5'  )                        
        ( resi 2 and name C5'  )                        
        ( resi 2 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}
                                    
 assign ( resi 2 and name O5'  )                        
        ( resi 2 and name C5'  )                        
        ( resi 2 and name C4'  )                        
        ( resi 2 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 2 and name C4'  )                        
         ( resi 2 and name C3'  )                        
         ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 2 and name C3'  )                        
         ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{A3}                                   
 assign  ( resi 2 and name O3'  )                        
         ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                 
 assign  ( resi 3 and name P    )                        
         ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )                        
         ( resi 3 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}
                                    
 assign  ( resi 3 and name O5'  )                        
         ( resi 3 and name C5'  )                        
         ( resi 3 and name C4'  )                        
         ( resi 3 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                     
 assign  ( resi 3 and name C4'  )                        
         ( resi 3 and name C3'  )                        
         ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 3 and name C3'  )                        
         ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G4}                                   
 assign  ( resi 3 and name O3'  )                        
         ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 4 and name P    )                        
         ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )                        
         ( resi 4 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}
                                    
 assign  ( resi 4 and name O5'  )                        
         ( resi 4 and name C5'  )                        
         ( resi 4 and name C4'  )                        
         ( resi 4 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 4 and name C4'  )                        
         ( resi 4 and name C3'  )                        
         ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 4 and name C3'  )                        
         ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C5}                              
 assign  ( resi 4 and name O3'  )                        
         ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 5 and name P    )                        
         ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )                        
         ( resi 5 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}
                                    
 assign  ( resi 5 and name O5'  )                        
         ( resi 5 and name C5'  )                        
         ( resi 5 and name C4'  )                        
         ( resi 5 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 5 and name C4'  )                        
         ( resi 5 and name C3'  )                        
         ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 5 and name C3'  )                        
         ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G6}
 assign  ( resi 5 and name O3'  )                        
         ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )                        
         ( resi 6 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 6 and name P    )                        
         ( resi 6 and name O5'  )                        
         ( resi 6 and name C5'  )                        
         ( resi 6 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 6 and name O5'  )
         ( resi 6 and name C5'  )
         ( resi 6 and name C4'  )
         ( resi 6 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 6 and name C4'  )
         ( resi 6 and name C3'  )
         ( resi 6 and name O3'  )
         ( resi 7 and name P    )   20.0   -151.7   20.0  2 {*epsilon*}

 assign  ( resi 6 and name C3'  )
         ( resi 6 and name O3'  )
         ( resi 7 and name P    )
         ( resi 7 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G7}
 assign  ( resi 6 and name O3'  )
         ( resi 7 and name P    )
         ( resi 7 and name O5'  )
         ( resi 7 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 7 and name P    )
         ( resi 7 and name O5'  )
         ( resi 7 and name C5'  )
         ( resi 7 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 7 and name O5'  )
         ( resi 7 and name C5'  )
         ( resi 7 and name C4'  )
         ( resi 7 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 7 and name C4'  )
         ( resi 7 and name C3'  )
         ( resi 7 and name O3'  )
         ( resi 8 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 7 and name C3'  )
         ( resi 7 and name O3'  )
         ( resi 8 and name P    )
         ( resi 8 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G8}
 assign  ( resi 7 and name O3'  )
         ( resi 8 and name P    )
         ( resi 8 and name O5'  )
         ( resi 8 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 8 and name P    )
         ( resi 8 and name O5'  )
         ( resi 8 and name C5'  )
         ( resi 8 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 8 and name O5'  )
         ( resi 8 and name C5'  )
         ( resi 8 and name C4'  )
         ( resi 8 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 8 and name C4'  )
         ( resi 8 and name C3'  )
         ( resi 8 and name O3'  )
         ( resi 9 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 8 and name C3'  )
         ( resi 8 and name O3'  )
         ( resi 9 and name P    )
         ( resi 9 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G9}
 assign  ( resi 8 and name O3'  )
         ( resi 9 and name P    )
         ( resi 9 and name O5'  )
         ( resi 9 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 9 and name P    )
         ( resi 9 and name O5'  )
         ( resi 9 and name C5'  )
         ( resi 9 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 9 and name O5'  )
         ( resi 9 and name C5'  )
         ( resi 9 and name C4'  )
         ( resi 9 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 9 and name C4'  )
         ( resi 9 and name C3'  )
         ( resi 9 and name O3'  )
         ( resi 10 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 9 and name C3'  )
         ( resi 9 and name O3'  )
         ( resi 10 and name P    )
         ( resi 10 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G10}
 assign  ( resi 9 and name O3'  )
         ( resi 10 and name P    )
         ( resi 10 and name O5'  )
         ( resi 10 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 10 and name P    )
         ( resi 10 and name O5'  )
         ( resi 10 and name C5'  )
         ( resi 10 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 10 and name O5'  )
         ( resi 10 and name C5'  )
         ( resi 10 and name C4'  )
         ( resi 10 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 10 and name C4'  )
         ( resi 10 and name C3'  )
         ( resi 10 and name O3'  )
         ( resi 11 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 10 and name C3'  )
         ( resi 10 and name O3'  )
         ( resi 11 and name P    )
         ( resi 11 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{U11}
 assign  ( resi 10 and name O3'  )
         ( resi 11 and name P    )
         ( resi 11 and name O5'  )
         ( resi 11 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 11 and name P    )
         ( resi 11 and name O5'  )
         ( resi 11 and name C5'  )
         ( resi 11 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 11 and name O5'  )
         ( resi 11 and name C5'  )
         ( resi 11 and name C4'  )
         ( resi 11 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                           
 assign  ( resi 11 and name C4'  )
         ( resi 11 and name C3'  )
         ( resi 11 and name O3'  )
         ( resi 12 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 11 and name C3'  )                        
         ( resi 11 and name O3'  )
         ( resi 12 and name P    )
         ( resi 12 and name O5'  )   20.0   -73.6    40.0  2 {*zeta*}

{start of GUAA tetraloop}

{G12}
 assign  ( resi 12 and name O3'  )
         ( resi 12 and name P    )
         ( resi 12 and name O5'  )
         ( resi 12 and name C5'  )   20.0   -62.1    40.0  2 {*alpha*}

 assign  ( resi 12 and name C3'  )
         ( resi 12 and name O3'  )
         ( resi 13 and name P    )
         ( resi 13 and name O5'  )   20.0   -73.6    40.0  2 {*zeta*}

{U13}
 assign  ( resi 12 and name O3'  )
         ( resi 13 and name P    )
         ( resi 13 and name O5'  )
         ( resi 13 and name C5'  )   20.0   -62.1    40.0  2 {*alpha*}

 assign  ( resi 13 and name C3'  )
         ( resi 13 and name O3'  )
         ( resi 14 and name P    )
         ( resi 14 and name O5'  )   20.0   -73.6    40.0  2 {*zeta*}

{A14}
 assign  ( resi 13 and name O3'  )
         ( resi 14 and name P    )
         ( resi 14 and name O5'  )
         ( resi 14 and name C5'  )   20.0   -62.1    40.0  2 {*alpha*}

{ assign  ( resi 14 and name C3'  )}
{         ( resi 14 and name O3'  )}
{         ( resi 15 and name P    )}
{         ( resi 15 and name O5'  )   20.0   -73.6    40.0  2} {*zeta*}

{A15}
{ assign  ( resi 14 and name O3'  )}
{         ( resi 15 and name P    )}
{         ( resi 15 and name O5'  )}
{         ( resi 15 and name C5'  )   20.0   -62.1    40.0  2} {*alpha*}

{ assign  ( resi 15 and name C3'  )}
{         ( resi 15 and name O3'  )}
{         ( resi 16 and name P    )}
{         ( resi 16 and name O5'  )   20.0   -73.6    40.0  2} {*zeta*}

{end of GUAA tetraloop}

{A16}
{ assign  ( resi 15 and name O3'  )}
{         ( resi 16 and name P    )}
{         ( resi 16 and name O5'  )}
{         ( resi 16 and name C5'  )   20.0   -62.1    40.0  2} {*alpha*}

 assign  ( resi 16 and name P    )
         ( resi 16 and name O5'  )
         ( resi 16 and name C5'  )
         ( resi 16 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 16 and name O5'  )
         ( resi 16 and name C5'  )
         ( resi 16 and name C4'  )
         ( resi 16 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 16 and name C4'  )
         ( resi 16 and name C3'  )
         ( resi 16 and name O3'  )
         ( resi 17 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 16 and name C3'  )
         ( resi 16 and name O3'  )
         ( resi 17 and name P    )
         ( resi 17 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C17}
 assign  ( resi 16 and name O3'  )
         ( resi 17  and name P    )
         ( resi 17  and name O5'  )
         ( resi 17  and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 17  and name P    )
         ( resi 17  and name O5'  )
         ( resi 17  and name C5'  )
         ( resi 17  and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 17 and name O5'  )
         ( resi 17 and name C5'  )
         ( resi 17 and name C4'  )
         ( resi 17 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                                  
 assign  ( resi 17 and name C4'  )
         ( resi 17 and name C3'  )
         ( resi 17 and name O3'  )
         ( resi 18 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 17 and name C3'  )
         ( resi 17 and name O3'  )
         ( resi 18 and name P    )
         ( resi 18 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C18}
 assign  ( resi 17 and name O3'  )
         ( resi 18 and name P    )
         ( resi 18 and name O5'  )
         ( resi 18 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}
                                   
 assign  ( resi 18 and name P    )
         ( resi 18 and name O5'  )
         ( resi 18 and name C5'  )
         ( resi 18 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}
                            
 assign  ( resi 18 and name O5'  )
         ( resi 18 and name C5'  )
         ( resi 18 and name C4'  )
         ( resi 18 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}
                                    
 assign  ( resi 18 and name C4'  )
         ( resi 18 and name C3'  )
         ( resi 18 and name O3'  )
         ( resi 19 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}
                                    
 assign  ( resi 18 and name C3'  )
         ( resi 18 and name O3'  )
         ( resi 19 and name P    )
         ( resi 19 and name O5'  )   20.0   -73.6    20.0  2 {*zeta*}

{U19} {*south*}
 assign  ( resi 18 and name O3'  )
         ( resi 19 and name P    )
         ( resi 19 and name O5'  )
         ( resi 19 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 {assign  ( resi 19 and name P    )}
 {        ( resi 19 and name O5'  )}
 {        ( resi 19 and name C5'  )}
 {        ( resi 19 and name C4'  )   20.0   -179.9   20.0  2} {*beta*}

 {assign  ( resi 19 and name O5'  )}
  {       ( resi 19 and name C5'  )}
  {       ( resi 19 and name C4'  )}
  {       ( resi 19 and name C3'  )   20.0   47.44    10.0  2} {*gamma*}

 {assign  ( resi 19  and name C4'  )}
  {       ( resi 19  and name C3'  )}
   {      ( resi 19  and name O3'  )}
    {     ( resi 20  and name P    )   20.0   -151.7   10.0  2} {*epsilon*}

 assign  ( resi 19  and name C3'  )
         ( resi 19  and name O3'  )
         ( resi 20  and name P    )
         ( resi 20  and name O5'  )   20.0   -73.6    40.0  2 {*zeta*}

{bulged A20}
 assign  ( resi 20 and name O3'  )
         ( resi 20 and name P    )
         ( resi 20 and name O5'  )
         ( resi 20 and name C5'  )   20.0   -62.1    40.0  2 {*alpha*}

 {assign  ( resi 20 and name P    )}
  {       ( resi 20 and name O5'  )}
   {      ( resi 20 and name C5'  )}
   {      ( resi 20 and name C4'  )   20.0   -179.9   20.0  2} {*beta*}

{ assign  ( resi 20 and name O5'  )}
 {        ( resi 20 and name C5'  )}
 {        ( resi 20 and name C4'  )}
 {        ( resi 20 and name C3'  )   20.0   47.44    10.0  2} {*gamma*}

 {assign  ( resi 20  and name C4'  )}
  {       ( resi 20  and name C3'  )}
  {       ( resi 20  and name O3'  )}
  {       ( resi 21  and name P    )   20.0   -151.7   10.0  2} {*epsilon*}

 assign  ( resi 20 and name C3'  )
         ( resi 20 and name O3'  )
         ( resi 21 and name P    )
         ( resi 21 and name O5'  )   20.0   -73.6    40.0  2 {*zeta*}


{U21}
 assign  ( resi 20 and name O3'  )
         ( resi 21 and name P    )
         ( resi 21 and name O5'  )
         ( resi 21 and name C5'  )   20.0   -62.1    40.0  2 {*alpha*}

 assign  ( resi 21 and name P    )
         ( resi 21 and name O5'  )
         ( resi 21 and name C5'  )
         ( resi 21 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 21 and name O5'  )
         ( resi 21 and name C5'  )
         ( resi 21 and name C4'  )
         ( resi 21 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 21 and name C4'  )
         ( resi 21 and name C3'  )
         ( resi 21 and name O3'  )
         ( resi 22 and name P    )   20.0   -151.7   20.0  2 {*epsilon*}

 assign  ( resi 21 and name C3'  )
         ( resi 21 and name O3'  )
         ( resi 22 and name P    )
         ( resi 22 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C22}
 assign  ( resi 21 and name O3'  )
         ( resi 22 and name P    )
         ( resi 22 and name O5'  )
         ( resi 22 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 22 and name P    )
         ( resi 22 and name O5'  )
         ( resi 22 and name C5'  )
         ( resi 22 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 22 and name O5'  )
         ( resi 22 and name C5'  )
         ( resi 22 and name C4'  )
         ( resi 22 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 22 and name C4'  )
         ( resi 22 and name C3'  )
         ( resi 22 and name O3'  )
         ( resi 23 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 22 and name C3'  )
         ( resi 22 and name O3'  )
         ( resi 23 and name P    )
         ( resi 23 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{G23}
 assign  ( resi 22 and name O3'  )
         ( resi 23 and name P    )
         ( resi 23 and name O5'  )
         ( resi 23 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 23 and name P    )
         ( resi 23 and name O5'  )
         ( resi 23 and name C5'  )
         ( resi 23 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 23 and name O5'  )
         ( resi 23 and name C5'  )
         ( resi 23 and name C4'  )
         ( resi 23 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 23 and name C4'  )
         ( resi 23 and name C3'  )
         ( resi 23 and name O3'  )
         ( resi 24 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 23 and name C3'  )
         ( resi 23 and name O3'  )
         ( resi 24 and name P    )
         ( resi 24 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C24}
 assign  ( resi 23 and name O3'  )
         ( resi 24 and name P    )
         ( resi 24 and name O5'  )
         ( resi 24 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 24 and name P    )
         ( resi 24 and name O5'  )
         ( resi 24 and name C5'  )
         ( resi 24 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 24 and name O5'  )
         ( resi 24 and name C5'  )
         ( resi 24 and name C4'  )
         ( resi 24 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 24 and name C4'  )
         ( resi 24 and name C3'  )
         ( resi 24 and name O3'  )
         ( resi 25 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 24 and name C3'  )
         ( resi 24 and name O3'  )
         ( resi 25 and name P    )
         ( resi 25 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{U25}
 assign  ( resi 24 and name O3'  )
         ( resi 25 and name P    )
         ( resi 25 and name O5'  )
         ( resi 25 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 25 and name P    )
         ( resi 25 and name O5'  )
         ( resi 25 and name C5'  )
         ( resi 25 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 25 and name O5'  )
         ( resi 25 and name C5'  )
         ( resi 25 and name C4'  )
         ( resi 25 and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 25 and name C4'  )
         ( resi 25 and name C3'  )
         ( resi 25 and name O3'  )
         ( resi 26 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 25 and name C3'  )
         ( resi 25 and name O3'  )
         ( resi 26 and name P    )
         ( resi 26 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C26}
 assign  ( resi 25 and name O3'  )
         ( resi 26 and name P    )
         ( resi 26 and name O5'  )
         ( resi 26 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

 assign  ( resi 26 and name P    )
         ( resi 26 and name O5'  )
         ( resi 26 and name C5'  )
         ( resi 26 and name C4'  )   20.0   -179.9   10.0  2 {*beta*}

 assign  ( resi 26  and name O5'  )
         ( resi 26  and name C5'  )
         ( resi 26  and name C4'  )
         ( resi 26  and name C3'  )   20.0   47.44    10.0  2 {*gamma*}

 assign  ( resi 26 and name C4'  )
         ( resi 26 and name C3'  )
         ( resi 26 and name O3'  )
         ( resi 27 and name P    )   20.0   -151.7   10.0  2 {*epsilon*}

 assign  ( resi 26 and name C3'  )
         ( resi 26 and name O3'  )
         ( resi 27 and name P    )
         ( resi 27 and name O5'  )   20.0   -73.6    10.0  2 {*zeta*}

{C27} {*south*}
 assign  ( resi 26 and name O3'  )
         ( resi 27 and name P    )
         ( resi 27 and name O5'  )
         ( resi 27 and name C5'  )   20.0   -62.1    10.0  2 {*alpha*}

{ assign  ( resi 27 and name P    )}
{         ( resi 27 and name O5'  )}
{         ( resi 27 and name C5'  )}
{         ( resi 27 and name C4'  )   20.0   -179.9   10.0  2} {*beta*}

{ assign  ( resi 27  and name O5'  )}
{         ( resi 27  and name C5'  )}
{         ( resi 27  and name C4'  )}
{         ( resi 27  and name C3'  )   20.0   47.44    10.0  2} {*gamma*}




 {sugar pucker constraints in D6short, 5'GGAG...}
 {based on TOCSY ME_122204 #10 @ 303K, mt=45 ms, 500 MHz}
 {helical A-type RNA is usually 3'-endo, i.e. N-type}
 {sugarpuckers G1 and C27 restrained to S-type - can be left unconstrained}
 {sugarpuckers G12 and A15 restrained to S-type (true??) - can be left unconstrained}
 {sugarpuckers U13 and A14 are left unconstrained, U13 should be S-type}
 {A20: restraint taken out by me for xp27_021705, C27 taken out for xp29_021804}
 {sugarpuckers U19 unrestrained}
 {other sugarpuckers are constrained to N-type}
 {delta angle:  S-type,  145.0;   N-type,   85.0}
 {nu1 angle:  S-type,   25.0;  N-type,  -25.0}
 {nu2 angle:  S-type,  -35.0;  N-type,   37.3}

nassign=1000

{G1} {*south*}
 assign  ( resi   1 and name C5'  )
         ( resi   1 and name C4'  )
         ( resi   1 and name C3'  )
         ( resi   1 and name O3'  )     20.0   145.0      30.0  2 {*delta*}

 assign  ( resi   1 and name O4'  )                         
         ( resi   1 and name C1'  )                         
         ( resi   1 and name C2'  )                         
         ( resi   1 and name C3'  )     20.0    25.0      30.0  2 {*nu1*}  

 assign  ( resi   1 and name C1'  )                        
         ( resi   1 and name C2'  )                        
         ( resi   1 and name C3'  )                        
         ( resi   1 and name C4'  )     20.0   -35.0     30.0  2 {*nu2*}
                                   
{G2}
 assign  ( resi   2 and name C5'  )
         ( resi   2 and name C4'  )
         ( resi   2 and name C3'  )
         ( resi   2 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   2 and name O4'  )                         
         ( resi   2 and name C1'  )                         
         ( resi   2 and name C2'  )                        
         ( resi   2 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   2 and name C1'  )                        
         ( resi   2 and name C2'  )                        
         ( resi   2 and name C3'  )                        
         ( resi   2 and name C4'  )     20.0    37.3      30.0  2 {*nu2*}
                                    
{A3}
 assign  ( resi   3 and name C5'  )
         ( resi   3 and name C4'  )
         ( resi   3 and name C3'  )
         ( resi   3 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   3 and name O4'  )                         
         ( resi   3 and name C1'  )                         
         ( resi   3 and name C2'  )                        
         ( resi   3 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   3 and name C1'  )                        
         ( resi   3 and name C2'  )                        
         ( resi   3 and name C3'  )                        
         ( resi   3 and name C4'  )     20.0    37.3      30.0  2 {*nu2*}
                                    
{G4}
 assign  ( resi   4 and name C5'  )
         ( resi   4 and name C4'  )
         ( resi   4 and name C3'  )
         ( resi   4 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   4 and name O4'  )                         
         ( resi   4 and name C1'  )                         
         ( resi   4 and name C2'  )                        
         ( resi   4 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   4 and name C1'  )                        
         ( resi   4 and name C2'  )                        
         ( resi   4 and name C3'  )                        
         ( resi   4 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C5}
 assign  ( resi   5 and name C5'  )
         ( resi   5 and name C4'  )
         ( resi   5 and name C3'  )
         ( resi   5 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   5 and name O4'  )                         
         ( resi   5 and name C1'  )                         
         ( resi   5 and name C2'  )                        
         ( resi   5 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   5 and name C1'  )                        
         ( resi   5 and name C2'  )                        
         ( resi   5 and name C3'  )                        
         ( resi   5 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}
                                   
{G6}
 assign  ( resi   6 and name C5'  )
         ( resi   6 and name C4'  )
         ( resi   6 and name C3'  )
         ( resi   6 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   6 and name O4'  )                         
         ( resi   6 and name C1'  )                         
         ( resi   6 and name C2'  )                        
         ( resi   6 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   6 and name C1'  )
         ( resi   6 and name C2'  )
         ( resi   6 and name C3'  )
         ( resi   6 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{G7}
 assign  ( resi   7 and name C5'  )
         ( resi   7 and name C4'  )
         ( resi   7 and name C3'  )
         ( resi   7 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   7 and name O4'  )                         
         ( resi   7 and name C1'  )                         
         ( resi   7 and name C2'  )                        
         ( resi   7 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   7 and name C1'  )
         ( resi   7 and name C2'  )
         ( resi   7 and name C3'  )
         ( resi   7 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}
                                   
{G8}
 assign  ( resi   8 and name C5'  )
         ( resi   8 and name C4'  )
         ( resi   8 and name C3'  )
         ( resi   8 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   8 and name O4'  )                         
         ( resi   8 and name C1'  )                         
         ( resi   8 and name C2'  )                        
         ( resi   8 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   8 and name C1'  )
         ( resi   8 and name C2'  )
         ( resi   8 and name C3'  )
         ( resi   8 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}
                                   
{G9}
 assign  ( resi   9 and name C5'  )
         ( resi   9 and name C4'  )
         ( resi   9 and name C3'  )
         ( resi   9 and name O3'  )     20.0    85.0      30.0  2 {*delta*}

 assign  ( resi   9 and name O4'  )                         
         ( resi   9 and name C1'  )                         
         ( resi   9 and name C2'  )                        
         ( resi   9 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   9 and name C1'  )
         ( resi   9 and name C2'  )
         ( resi   9 and name C3'  )
         ( resi   9 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{G10}
 assign  ( resi   10 and name C5'  )
         ( resi   10 and name C4'  )
         ( resi   10 and name C3'  )
         ( resi   10 and name O3'  )     20.0   85.0      30.0  2 {*delta*}

 assign  ( resi   10 and name O4'  )                         
         ( resi   10 and name C1'  )                         
         ( resi   10 and name C2'  )                        
         ( resi   10 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   10 and name C1'  )
         ( resi   10 and name C2'  )
         ( resi   10 and name C3'  )
         ( resi   10 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{U11}
 assign  ( resi   11 and name C5'  )
         ( resi   11 and name C4'  )
         ( resi   11 and name C3'  )
         ( resi   11 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   11 and name O4'  )                         
         ( resi   11 and name C1'  )                         
         ( resi   11 and name C2'  )                        
         ( resi   11 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   11 and name C1'  )
         ( resi   11 and name C2'  )
         ( resi   11 and name C3'  )
         ( resi   11 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{G12} {*south*}
{ assign  ( resi   12 and name C5'  )}
{         ( resi   12 and name C4'  )}
{         ( resi   12 and name C3'  )}
{         ( resi   12 and name O3'  )      20.0   145.0     30.0  2} {*delta*}

{ assign  ( resi   12 and name O4'  )}                         
{         ( resi   12 and name C1'  )}                        
{         ( resi   12 and name C2'  )}                       
{         ( resi   12 and name C3'  )     20.0   25.0      30.0  2} {*nu1*}  

{ assign  ( resi   12 and name C1'  )}
{         ( resi   12 and name C2'  )}
{         ( resi   12 and name C3'  )}
{         ( resi   12 and name C4'  )     20.0   -35.0     30.0  2} {*nu2*}
                                   
{U13} {*south*}
 {assign  ( resi   13 and name C5'  )}
 {        ( resi   13 and name C4'  )}
 {        ( resi   13 and name C3'  )}
 {        ( resi   13 and name O3'  )     20.0   145.0      30.0  2} {*delta*}

{assign   ( resi   13 and name O4'  )}
{         ( resi   13 and name C1'  )}
{         ( resi   13 and name C2'  )}
{         ( resi   13 and name C3'  )      20.0    25.0      30.0  2}{*nu1*}

{ assign  ( resi   13 and name C1'  )}
{         ( resi   13 and name C2'  )}
{         ( resi   13 and name C3'  )}
{         ( resi   13 and name C4'  )     20.0   -35.0     30.0  2} {*nu2*}
                                   
{A14} {*unconstrained*}
{ assign  ( resi   14 and name C5'  )}
{         ( resi   14 and name C4'  )}
{         ( resi   14 and name C3'  )}
{         ( resi   14 and name O3'  )     20.0   145.0     30.0  2} {*delta*}

{ assign  ( resi   14 and name O4'  )}                         
{         ( resi   14 and name C1'  )}                         
{         ( resi   14 and name C2'  )}                        
{         ( resi   14 and name C3'  )     20.0    25.0      30.0  2} {*nu1*}  

{ assign  ( resi   14 and name C1'  )}
{         ( resi   14 and name C2'  )}
{         ( resi   14 and name C3'  )}
{         ( resi   14 and name C4'  )     20.0   -35.0     30.0  2} {*nu2*}
                                    
{A15} {*south*}
{ assign  ( resi   15 and name C5'  )}
{         ( resi   15 and name C4'  )}
{         ( resi   15 and name C3'  )}
{         ( resi   15 and name O3'  )     20.0   145.0     30.0  2} {*delta*}

{ assign  ( resi   15 and name O4'  )}                         
{         ( resi   15 and name C1'  )}                         
{         ( resi   15 and name C2'  )}                       
{         ( resi   15 and name C3'  )     20.0    25.0      30.0  2} {*nu1*}  

{ assign  ( resi   15 and name C1'  )}
{         ( resi   15 and name C2'  )}
{         ( resi   15 and name C3'  )}
{         ( resi   15 and name C4'  )     20.0   -35.0     30.0  2} {*nu2*}
                                   
{A16}
 assign  ( resi   16 and name C5'  )
         ( resi   16 and name C4'  )
         ( resi   16 and name C3'  )
         ( resi   16 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   16 and name O4'  )                         
         ( resi   16 and name C1'  )                         
         ( resi   16 and name C2'  )                        
         ( resi   16 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   16 and name C1'  )
         ( resi   16 and name C2'  )
         ( resi   16 and name C3'  )
         ( resi   16 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C17}
 assign  ( resi   17 and name C5'  )
         ( resi   17 and name C4'  )
         ( resi   17 and name C3'  )
         ( resi   17 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   17 and name O4'  )                         
         ( resi   17 and name C1'  )                         
         ( resi   17 and name C2'  )                        
         ( resi   17 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   17 and name C1'  )
         ( resi   17 and name C2'  )
         ( resi   17 and name C3'  )
         ( resi   17 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}
                                    
{C18}
 assign  ( resi   18 and name C5'  )
         ( resi   18 and name C4'  )
         ( resi   18 and name C3'  )
         ( resi   18 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   18 and name O4'  )                         
         ( resi   18 and name C1'  )                         
         ( resi   18 and name C2'  )                        
         ( resi   18 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   18 and name C1'  )
         ( resi   18 and name C2'  )
         ( resi   18 and name C3'  )
         ( resi   18 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}
                                
{U19} {*south*}
{assign  ( resi   19 and name C5'  )}
 {        ( resi   19 and name C4'  )}
 {        ( resi   19 and name C3'  )}
 {        ( resi   19 and name O3'  )     20.0   145.0     30.0  2}  {*delta*}

 {assign  ( resi   19 and name O4'  )}
 {        ( resi   19 and name C1'  )}
 {        ( resi   19 and name C2'  )}
 {        ( resi   19 and name C3'  )     20.0     25.0      30.0  2} {*nu1*}
                                    
 {assign  ( resi   19  and name C1' )}
 {        ( resi   19  and name C2' )}
 {        ( resi   19  and name C3' )}
 {        ( resi   19  and name C4' )     20.0   -35.0     30.0  2 } {*nu2*}

{A20} {*south*}
 {assign  ( resi   20 and name C5'  )}
 {        ( resi   20 and name C4'  )}
 {        ( resi   20 and name C3'  )}
 {        ( resi   20 and name O3'  )     20.0   145.0     30.0  2 }{*delta*}

{ assign  ( resi   20 and name O4'  )}
{         ( resi   20 and name C1'  )}
{         ( resi   20 and name C2'  )}
{         ( resi   20 and name C3'  )     20.0     25.0      30.0  2 }{*nu1*}

 {assign  ( resi   20  and name C1' )}
 {        ( resi   20  and name C2' )}
 {        ( resi   20  and name C3' )}
 {        ( resi   20  and name C4' )     20.0   -35.0     30.0  2 }{*nu2*}

{U21}
 assign  ( resi   21 and name C5'  )
         ( resi   21 and name C4'  )
         ( resi   21 and name C3'  )
         ( resi   21 and name O3'  )      20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   21 and name O4'  )                         
         ( resi   21 and name C1'  )                         
         ( resi   21 and name C2'  )                        
         ( resi   21 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  

 assign  ( resi   21 and name C1'  )
         ( resi   21 and name C2'  )
         ( resi   21 and name C3'  )
         ( resi   21 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C22}
 assign  ( resi   22 and name C5'  )
         ( resi   22 and name C4'  )
         ( resi   22 and name C3'  )
         ( resi   22 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   22 and name O4'  )                         
         ( resi   22 and name C1'  )                         
         ( resi   22 and name C2'  )                        
         ( resi   22 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   22 and name C1'  )
         ( resi   22 and name C2'  )
         ( resi   22 and name C3'  )
         ( resi   22 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{G23}
 assign  ( resi   23 and name C5'  )
         ( resi   23 and name C4'  )
         ( resi   23 and name C3'  )
         ( resi   23 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   23 and name O4'  )                         
         ( resi   23 and name C1'  )                         
         ( resi   23 and name C2'  )                        
         ( resi   23 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   23 and name C1'  )
         ( resi   23 and name C2'  )
         ( resi   23 and name C3'  )
         ( resi   23 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C24}
 assign  ( resi   24 and name C5'  )
         ( resi   24 and name C4'  )
         ( resi   24 and name C3'  )
         ( resi   24 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   24 and name O4'  )                         
         ( resi   24 and name C1'  )                         
         ( resi   24 and name C2'  )                        
         ( resi   24 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   24 and name C1'  )
         ( resi   24 and name C2'  )
         ( resi   24 and name C3'  )
         ( resi   24 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{U25}
 assign  ( resi   25 and name C5'  )
         ( resi   25 and name C4'  )
         ( resi   25 and name C3'  )
         ( resi   25 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   25 and name O4'  )                         
         ( resi   25 and name C1'  )                         
         ( resi   25 and name C2'  )                        
         ( resi   25 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   25 and name C1'  )
         ( resi   25 and name C2'  )
         ( resi   25 and name C3'  )
         ( resi   25 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C26}
 assign  ( resi   26 and name C5'  )
         ( resi   26 and name C4'  )
         ( resi   26 and name C3'  )
         ( resi   26 and name O3'  )     20.0    85.0     30.0  2 {*delta*}

 assign  ( resi   26 and name O4'  )                         
         ( resi   26 and name C1'  )                         
         ( resi   26 and name C2'  )                        
         ( resi   26 and name C3'  )     20.0   -25.0      30.0  2 {*nu1*}  
                                    
 assign  ( resi   26 and name C1'  )
         ( resi   26 and name C2'  )
         ( resi   26 and name C3'  )
         ( resi   26 and name C4'  )     20.0   37.3     30.0  2 {*nu2*}

{C27} {*south*}
 {assign  ( resi   27 and name C5'  )}
  {       ( resi   27 and name C4'  )}
  {       ( resi   27 and name C3'  )}
  {       ( resi   27 and name O3'  )      20.0   145.0     30.0  2} {*delta*}

 {assign  ( resi   27 and name O4'  )}
  {       ( resi   27 and name C1'  )}
  {       ( resi   27 and name C2'  )}
  {       ( resi   27 and name C3'  )     20.0    25.0      30.0  2} {*nu1*}

 {assign  ( resi   27 and name C1'  )}
  {       ( resi   27 and name C2'  )}
  {       ( resi   27 and name C3'  )}
  {       ( resi   27 and name C4'  )     20.0   -35.0     30.0  2} {*nu2*}



d6short_xchi.dihe
{dihedral chi angle restraints}

 nassign=1000
 assign ( resi 1 and name O4'  )
        ( resi 1 and name C1'  )
        ( resi 1 and name N9   )
        ( resi 1 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 2 and name O4'  )
        ( resi 2 and name C1'  )
        ( resi 2 and name N9   )
        ( resi 2 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 3 and name O4'  )
        ( resi 3 and name C1'  )
        ( resi 3 and name N9   )
        ( resi 3 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 4 and name O4'  )
        ( resi 4 and name C1'  )
        ( resi 4 and name N9   )
        ( resi 4 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 5 and name O4'  )
        ( resi 5 and name C1'  )
        ( resi 5 and name N1   )
        ( resi 5 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 6 and name O4'  )
        ( resi 6 and name C1'  )
        ( resi 6 and name N9   )
        ( resi 6 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 7 and name O4'  )
        ( resi 7 and name C1'  )
        ( resi 7 and name N9   )
        ( resi 7 and name C4   )    20.0   -160.0  40.0  2

 assign ( resi 8 and name O4'  )
        ( resi 8 and name C1'  )
        ( resi 8 and name N9   )
        ( resi 8 and name C4   )    20.0   -160.0  40.0  2

 assign ( resi 9 and name O4'  )
        ( resi 9 and name C1'  )
        ( resi 9 and name N9   )
        ( resi 9 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 10 and name O4'  )
        ( resi 10 and name C1'  )
        ( resi 10 and name N9   )
        ( resi 10 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 11 and name O4'  )
        ( resi 11 and name C1'  )
        ( resi 11 and name N1   )
        ( resi 11 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 12 and name O4'  )
        ( resi 12 and name C1'  )
        ( resi 12 and name N9   )
        ( resi 12 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 13 and name O4'  )
        ( resi 13 and name C1'  )
        ( resi 13 and name N1   )
        ( resi 13 and name C2   )    20.0   -160.0  60.0  2

 assign ( resi 14 and name O4'  )
        ( resi 14 and name C1'  )
        ( resi 14 and name N9   )
        ( resi 14 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 15 and name O4'  )
        ( resi 15 and name C1'  )
        ( resi 15 and name N9   )
        ( resi 15 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 16 and name O4'  )
        ( resi 16 and name C1'  )
        ( resi 16 and name N9   )
        ( resi 16 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 17 and name O4'  )
        ( resi 17 and name C1'  )
        ( resi 17 and name N1   )
        ( resi 17 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 18 and name O4'  )
        ( resi 18 and name C1'  )
        ( resi 18 and name N1   )
        ( resi 18 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 19 and name O4'  )
        ( resi 19 and name C1'  )
        ( resi 19 and name N1   )
        ( resi 19 and name C2   )    20.0   -160.0  20.0  2

assign  ( resi 20 and name O4'  )
        ( resi 20 and name C1'  )
        ( resi 20 and name N9   )
        ( resi 20 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 21 and name O4'  )
        ( resi 21 and name C1'  )
        ( resi 21 and name N1   )
        ( resi 21 and name C2   )    20.0   -160.0  40.0  2

 assign ( resi 22 and name O4'  )
        ( resi 22 and name C1'  )
        ( resi 22 and name N1   )
        ( resi 22 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 23 and name O4'  )
        ( resi 23 and name C1'  )
        ( resi 23 and name N9   )
        ( resi 23 and name C4   )    20.0   -160.0  20.0  2

 assign ( resi 24 and name O4'  )
        ( resi 24 and name C1'  )
        ( resi 24 and name N1   )
        ( resi 24 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 25 and name O4'  )
        ( resi 25 and name C1'  )
        ( resi 25 and name N1   )
        ( resi 25 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 26 and name O4'  )
        ( resi 26 and name C1'  )
        ( resi 26 and name N1   )
        ( resi 26 and name C2   )    20.0   -160.0  20.0  2

 assign ( resi 27 and name O4'  )
        ( resi 27 and name C1'  )
        ( resi 27 and name N1   )
        ( resi 27 and name C2   )    20.0   -160.0  20.0  2









  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   9.644 -17.355   1.607
    2   2H5*    G   1          2H5*        G   1   8.687 -18.846   1.504
    3    H4*    G   1           H4*        G   1   9.415 -17.546  -1.086
    4    H3*    G   1           H3*        G   1   7.982 -16.083   1.040
    5    H2*    G   1           H2*        G   1   5.854 -16.437   0.236
    6   2HO*    G   1          2HO*        G   1   6.909 -15.563  -2.269
    7    H1*    G   1           H1*        G   1   6.668 -17.738  -2.316
    8    H8     G   1           H8         G   1   5.602 -19.297   1.034
    9    H1     G   1           H1         G   1   1.033 -19.277  -3.419
   10   1H2     G   1          1H2         G   1   1.711 -18.126  -5.192
   11   2H2     G   1          2H2         G   1   3.334 -17.487  -5.329
   12    H5T    G   1           H5T        G   1  10.297 -19.844   0.506
   13   1H5*    G   2          1H5*        G   2   8.382 -14.269  -3.388
   14   2H5*    G   2          2H5*        G   2   8.513 -12.510  -3.196
   15    H4*    G   2           H4*        G   2   7.168 -12.962  -5.159
   16    H3*    G   2           H3*        G   2   5.669 -11.948  -2.721
   17    H2*    G   2           H2*        G   2   3.654 -11.994  -3.953
   18   2HO*    G   2          2HO*        G   2   5.035 -12.553  -6.371
   19    H1*    G   2           H1*        G   2   4.104 -14.333  -5.340
   20    H8     G   2           H8         G   2   5.093 -14.410  -1.654
   21    H1     G   2           H1         G   2  -1.085 -15.616  -2.660
   22   1H2     G   2          1H2         G   2  -1.575 -14.677  -4.808
   23   2H2     G   2          2H2         G   2  -0.413 -15.311  -5.949
   24   1H5*    A   3          1H5*        A   3   5.165  -9.447  -6.537
   25   2H5*    A   3          2H5*        A   3   4.962  -7.739  -6.100
   26    H4*    A   3           H4*        A   3   3.238  -8.460  -7.713
   27    H3*    A   3           H3*        A   3   2.387  -7.712  -4.893
   28    H2*    A   3           H2*        A   3   0.120  -8.089  -5.502
   29   2HO*    A   3          2HO*        A   3  -0.449  -8.470  -7.725
   30    H1*    A   3           H1*        A   3   0.501 -10.414  -6.858
   31    H8     A   3           H8         A   3   2.800 -10.008  -3.835
   32   1H6     A   3          1H6         A   3  -1.706 -12.506  -0.492
   33   2H6     A   3          2H6         A   3  -0.181 -11.657  -0.390
   34    H2     A   3           H2         A   3  -3.331 -11.669  -4.606
   35   1H5*    G   4          1H5*        G   4  -0.071  -6.540  -7.688
   36   2H5*    G   4          2H5*        G   4  -0.175  -4.792  -7.972
   37    H4*    G   4           H4*        G   4  -2.392  -5.513  -8.248
   38    H3*    G   4           H3*        G   4  -1.943  -4.491  -5.413
   39    H2*    G   4           H2*        G   4  -4.242  -4.932  -4.941
   40   2HO*    G   4          2HO*        G   4  -5.655  -4.851  -6.524
   41    H1*    G   4           H1*        G   4  -4.217  -7.457  -5.813
   42    H8     G   4           H8         G   4  -0.750  -6.251  -4.741
   43    H1     G   4           H1         G   4  -4.320  -8.339   0.073
   44   1H2     G   4          1H2         G   4  -6.371  -8.808  -0.637
   45   2H2     G   4          2H2         G   4  -6.905  -8.395  -2.250
   46   1H5*    C   5          1H5*        C   5  -5.220  -3.082  -6.063
   47   2H5*    C   5          2H5*        C   5  -5.498  -1.335  -5.908
   48    H4*    C   5           H4*        C   5  -6.957  -2.384  -4.328
   49    H3*    C   5           H3*        C   5  -4.478  -1.093  -3.187
   50    H2*    C   5           H2*        C   5  -4.890  -1.920  -1.049
   51   2HO*    C   5          2HO*        C   5  -7.427  -2.830  -1.176
   52    H1*    C   5           H1*        C   5  -6.272  -4.273  -1.696
   53   1H4     C   5          1H4         C   5  -0.577  -5.808   0.701
   54   2H4     C   5          2H4         C   5   0.159  -5.557  -0.866
   55    H5     C   5           H5         C   5  -0.977  -4.402  -2.662
   56    H6     C   5           H6         C   5  -3.150  -3.607  -3.474
   57   1H5*    G   6          1H5*        G   6  -8.019  -0.216  -0.698
   58   2H5*    G   6          2H5*        G   6  -8.219   1.547  -0.728
   59    H4*    G   6           H4*        G   6  -8.570   1.021   1.533
   60    H3*    G   6           H3*        G   6  -5.700   1.851   1.016
   61    H2*    G   6           H2*        G   6  -5.140   1.451   3.273
   62   2HO*    G   6          2HO*        G   6  -7.852   1.963   3.632
   63    H1*    G   6           H1*        G   6  -6.683  -0.801   3.688
   64    H8     G   6           H8         G   6  -4.622  -0.343   0.456
   65    H1     G   6           H1         G   6  -1.591  -3.473   5.111
   66   1H2     G   6          1H2         G   6  -2.842  -3.501   6.944
   67   2H2     G   6          2H2         G   6  -4.422  -2.750   7.014
   68   1H5*    G   7          1H5*        G   7  -6.871   3.432   4.713
   69   2H5*    G   7          2H5*        G   7  -6.656   5.194   4.709
   70    H4*    G   7           H4*        G   7  -5.545   4.554   6.673
   71    H3*    G   7           H3*        G   7  -3.622   4.775   4.345
   72    H2*    G   7           H2*        G   7  -1.895   3.861   5.595
   73   2HO*    G   7          2HO*        G   7  -3.194   4.774   7.970
   74    H1*    G   7           H1*        G   7  -3.499   2.589   7.626
   75    H8     G   7           H8         G   7  -2.841   1.913   3.861
   76    H1     G   7           H1         G   7  -0.166  -2.270   7.860
   77   1H2     G   7          2H2         G   7  -1.324  -1.836  10.009
   78   2H2     G   7          1H2         G   7  -0.868  -0.176  10.319
   79   1H5*    G   8          1H5*        G   8  -2.248   6.720   8.195
   80   2H5*    G   8          2H5*        G   8  -1.909   8.408   7.763
   81    H4*    G   8           H4*        G   8  -0.214   7.587   9.326
   82    H3*    G   8           H3*        G   8   0.531   8.302   6.502
   83    H2*    G   8           H2*        G   8   2.730   7.463   6.705
   84   2HO*    G   8          2HO*        G   8   3.766   7.621   8.551
   85    H1*    G   8           H1*        G   8   2.236   5.180   8.050
   86    H8     G   8           H8         G   8  -0.729   5.673   5.824
   87    H1     G   8           H1         G   8   4.379   3.651   2.582
   88   1H2     G   8          1H2         G   8   6.139   3.533   3.993
   89   2H2     G   8          2H2         G   8   6.179   4.597   5.380
   90   1H5*    G   9          1H5*        G   9   3.695   9.753   8.961
   91   2H5*    G   9          2H5*        G   9   3.925  11.498   8.719
   92    H4*    G   9           H4*        G   9   6.081  10.417   8.523
   93    H3*    G   9           H3*        G   9   4.810  11.517   6.016
   94    H2*    G   9           H2*        G   9   6.551  10.650   4.647
   95   2HO*    G   9          2HO*        G   9   8.039   9.649   6.811
   96    H1*    G   9           H1*        G   9   6.729   8.203   5.707
   97    H8     G   9           H8         G   9   3.173   9.606   5.897
   98    H1     G   9           H1         G   9   4.457   6.545   0.453
   99   1H2     G   9          1H2         G   9   6.599   5.855   0.480
  100   2H2     G   9          2H2         G   9   7.763   6.702   1.474
  101   1H5*    G  10          1H5*        G  10   8.461  12.069   5.424
  102   2H5*    G  10          2H5*        G  10   9.055  13.706   5.082
  103    H4*    G  10           H4*        G  10   9.751  12.458   3.206
  104    H3*    G  10           H3*        G  10   7.148  13.930   2.685
  105    H2*    G  10           H2*        G  10   7.077  13.037   0.501
  106   2HO*    G  10          2HO*        G  10   8.986  11.982  -0.386
  107    H1*    G  10           H1*        G  10   8.093  10.520   1.074
  108    H8     G  10           H8         G  10   5.416  11.936   3.423
  109    H1     G  10           H1         G  10   3.051   8.733  -1.544
  110   1H2     G  10          1H2         G  10   4.688   8.174  -2.940
  111   2H2     G  10          2H2         G  10   6.325   8.756  -2.736
  112   1H5*    U  11          1H5*        U  11   9.193  14.422  -0.667
  113   2H5*    U  11          2H5*        U  11   9.311  16.113  -1.188
  114    H4*    U  11           H4*        U  11   8.311  14.919  -3.006
  115    H3*    U  11           H3*        U  11   6.425  16.598  -1.343
  116    H2*    U  11           H2*        U  11   4.563  15.740  -2.420
  117   2HO*    U  11          2HO*        U  11   6.227  15.272  -4.698
  118    H1*    U  11           H1*        U  11   5.768  13.353  -3.509
  119    H3     U  11           H3         U  11   1.921  11.603  -2.007
  120    H5     U  11           H5         U  11   3.529  13.459   1.423
  121    H6     U  11           H6         U  11   5.346  14.293   0.039
  122   1H5*    G  12          1H5*        G  12   4.278  20.200  -2.922
  123   2H5*    G  12          2H5*        G  12   4.263  18.778  -1.859
  124    H4*    G  12           H4*        G  12   2.676  19.063  -4.444
  125    H3*    G  12           H3*        G  12   1.972  19.460  -1.516
  126    H2*    G  12           H2*        G  12  -0.162  18.485  -1.920
  127   2HO*    G  12          2HO*        G  12   0.464  19.144  -4.577
  128    H1*    G  12           H1*        G  12   0.701  16.389  -3.425
  129    H8     G  12           H8         G  12   3.145  17.331  -0.649
  130    H1     G  12           H1         G  12  -1.644  13.629   1.353
  131   1H2     G  12          1H2         G  12  -3.181  13.453  -0.249
  132   2H2     G  12          2H2         G  12  -2.871  13.990  -1.886
  133   1H5*    U  13          1H5*        U  13  -0.935  23.121  -3.047
  134   2H5*    U  13          2H5*        U  13  -1.219  23.682  -1.390
  135    H4*    U  13           H4*        U  13  -3.137  22.506  -1.203
  136    H3*    U  13           H3*        U  13  -1.395  20.308  -1.686
  137    H2*    U  13           H2*        U  13  -2.111  19.404  -3.684
  138   2HO*    U  13          2HO*        U  13  -4.797  19.844  -3.562
  139    H1*    U  13           H1*        U  13  -3.965  21.163  -4.746
  140    H3     U  13           H3         U  13  -1.220  22.469  -8.051
  141    H5     U  13           H5         U  13   1.438  21.183  -5.045
  142    H6     U  13           H6         U  13  -0.472  20.856  -3.588
  143   1H5*    A  14          1H5*        A  14  -5.560  17.983   0.300
  144   2H5*    A  14          2H5*        A  14  -5.054  16.300   0.048
  145    H4*    A  14           H4*        A  14  -7.180  17.442  -1.213
  146    H3*    A  14           H3*        A  14  -5.320  15.172  -1.924
  147    H2*    A  14           H2*        A  14  -6.078  15.089  -4.127
  148   2HO*    A  14          2HO*        A  14  -8.158  15.469  -4.669
  149    H1*    A  14           H1*        A  14  -6.879  17.773  -4.457
  150    H8     A  14           H8         A  14  -3.293  17.469  -3.371
  151   1H6     A  14          1H6         A  14  -1.614  17.540  -8.773
  152   2H6     A  14          2H6         A  14  -1.409  15.901  -8.196
  153    H2     A  14           H2         A  14  -6.301  16.393  -8.918
  154   1H5*    A  15          1H5*        A  15  -9.296  12.000  -2.711
  155   2H5*    A  15          2H5*        A  15  -7.969  10.907  -2.267
  156    H4*    A  15           H4*        A  15  -9.096  10.926  -4.723
  157    H3*    A  15           H3*        A  15  -6.412  10.154  -3.663
  158    H2*    A  15           H2*        A  15  -5.290  10.275  -5.724
  159   2HO*    A  15          2HO*        A  15  -7.895   9.913  -6.765
  160    H1*    A  15           H1*        A  15  -6.450  12.448  -6.834
  161    H8     A  15           H8         A  15  -5.874  12.420  -3.012
  162   1H6     A  15          1H6         A  15  -0.570  15.296  -4.186
  163   2H6     A  15          2H6         A  15  -1.679  14.781  -2.936
  164    H2     A  15           H2         A  15  -2.496  14.275  -8.118
  165   1H5*    A  16          1H5*        A  16  -6.348   8.134  -7.064
  166   2H5*    A  16          2H5*        A  16  -5.851   6.446  -6.832
  167    H4*    A  16           H4*        A  16  -4.236   7.640  -8.254
  168    H3*    A  16           H3*        A  16  -3.364   6.755  -5.482
  169    H2*    A  16           H2*        A  16  -1.191   7.603  -5.908
  170   2HO*    A  16          2HO*        A  16  -1.795   8.214  -8.605
  171    H1*    A  16           H1*        A  16  -1.945   9.913  -7.194
  172    H8     A  16           H8         A  16  -4.168   9.123  -4.216
  173   1H6     A  16          1H6         A  16   0.100  11.798  -0.672
  174   2H6     A  16          2H6         A  16  -1.551  11.224  -0.735
  175    H2     A  16           H2         A  16   1.731  11.516  -4.852
  176   1H5*    C  17          1H5*        C  17  -0.659   5.923  -8.408
  177   2H5*    C  17          2H5*        C  17  -0.079   4.249  -8.531
  178    H4*    C  17           H4*        C  17   1.882   5.585  -8.626
  179    H3*    C  17           H3*        C  17   1.371   4.412  -5.873
  180    H2*    C  17           H2*        C  17   3.338   5.452  -5.072
  181   2HO*    C  17          2HO*        C  17   4.208   6.448  -7.526
  182    H1*    C  17           H1*        C  17   3.097   7.836  -6.422
  183   1H4     C  17          1H4         C  17   0.951   8.404  -0.410
  184   2H4     C  17          2H4         C  17  -0.670   8.422  -1.065
  185    H5     C  17           H5         C  17  -0.820   6.597  -2.891
  186    H6     C  17           H6         C  17   0.142   6.061  -5.079
  187   1H5*    C  18          1H5*        C  18   5.508   3.741  -7.253
  188   2H5*    C  18          2H5*        C  18   5.902   2.023  -7.045
  189    H4*    C  18           H4*        C  18   7.759   3.290  -6.190
  190    H3*    C  18           H3*        C  18   5.959   2.045  -4.080
  191    H2*    C  18           H2*        C  18   7.379   2.919  -2.383
  192   2HO*    C  18          2HO*        C  18   9.428   2.614  -3.070
  193    H1*    C  18           H1*        C  18   7.658   5.412  -3.409
  194   1H4     C  18          1H4         C  18   2.500   5.701   0.317
  195   2H4     C  18          2H4         C  18   1.510   5.100  -0.995
  196    H5     C  18           H5         C  18   2.467   4.005  -2.930
  197    H6     C  18           H6         C  18   4.511   3.704  -4.246
  198   1H5*    U  19          1H5*        U  19   9.752   0.693  -3.082
  199   2H5*    U  19          2H5*        U  19   9.783  -0.930  -2.362
  200    H4*    U  19           H4*        U  19  10.450   0.828  -0.738
  201    H3*    U  19           H3*        U  19   7.991  -0.878  -0.307
  202    H2*    U  19           H2*        U  19   7.433   0.299   1.672
  203   2HO*    U  19          2HO*        U  19   9.578   0.315   2.543
  204    H1*    U  19           H1*        U  19   7.986   2.823   0.832
  205    H3     U  19           H3         U  19   3.460   2.534   1.012
  206    H5     U  19           H5         U  19   4.495   0.579  -2.575
  207    H6     U  19           H6         U  19   6.827   0.762  -1.926
  208   1H5*    A  20          1H5*        A  20   8.219  -3.883   3.381
  209   2H5*    A  20          2H5*        A  20   7.704  -2.344   2.666
  210    H4*    A  20           H4*        A  20   9.690  -2.209   4.896
  211    H3*    A  20           H3*        A  20   6.878  -3.270   5.182
  212    H2*    A  20           H2*        A  20   6.421  -1.831   6.989
  213   2HO*    A  20          2HO*        A  20   7.975  -1.747   8.424
  214    H1*    A  20           H1*        A  20   7.801   0.401   6.150
  215    H8     A  20           H8         A  20   5.766  -1.425   3.470
  216   1H6     A  20          1H6         A  20   1.413   2.421   4.430
  217   2H6     A  20          2H6         A  20   1.233   0.694   4.644
  218    H2     A  20           H2         A  20   4.409   2.893   7.995
  219   1H5*    U  21          1H5*        U  21   8.046  -3.565   9.235
  220   2H5*    U  21          2H5*        U  21   7.784  -5.252   9.726
  221    H4*    U  21           H4*        U  21   6.480  -3.927  11.223
  222    H3*    U  21           H3*        U  21   4.900  -5.273   9.016
  223    H2*    U  21           H2*        U  21   2.904  -4.275   9.766
  224   2HO*    U  21          2HO*        U  21   3.505  -4.856  12.044
  225    H1*    U  21           H1*        U  21   3.928  -1.825  10.566
  226    H3     U  21           H3         U  21   1.451  -0.395   7.127
  227    H5     U  21           H5         U  21   4.105  -3.108   5.296
  228    H6     U  21           H6         U  21   4.993  -3.622   7.496
  229   1H5*    C  22          1H5*        C  22   2.761  -6.380  12.540
  230   2H5*    C  22          2H5*        C  22   2.376  -8.113  12.502
  231    H4*    C  22           H4*        C  22   0.315  -6.789  12.693
  232    H3*    C  22           H3*        C  22   0.840  -8.265  10.093
  233    H2*    C  22           H2*        C  22  -1.198  -7.505   9.225
  234   2HO*    C  22          2HO*        C  22  -2.154  -6.484  11.674
  235    H1*    C  22           H1*        C  22  -1.242  -4.972  10.551
  236   1H4     C  22          1H4         C  22   0.005  -3.889   4.394
  237   2H4     C  22          2H4         C  22   1.626  -4.517   4.582
  238    H5     C  22           H5         C  22   2.396  -5.589   6.597
  239    H6     C  22           H6         C  22   1.829  -6.163   8.910
  240   1H5*    G  23          1H5*        G  23  -3.029  -8.731  11.315
  241   2H5*    G  23          2H5*        G  23  -3.703 -10.357  11.089
  242    H4*    G  23           H4*        G  23  -5.081  -8.675   9.933
  243    H3*    G  23           H3*        G  23  -3.494 -10.620   8.211
  244    H2*    G  23           H2*        G  23  -4.456  -9.655   6.308
  245   2HO*    G  23          2HO*        G  23  -6.393  -8.227   6.645
  246    H1*    G  23           H1*        G  23  -4.763  -7.038   7.346
  247    H8     G  23           H8         G  23  -1.319  -8.694   7.392
  248    H1     G  23           H1         G  23  -2.645  -5.680   1.929
  249   1H2     G  23          1H2         G  23  -4.731  -4.877   2.005
  250   2H2     G  23          2H2         G  23  -5.881  -5.466   3.184
  251   1H5*    C  24          1H5*        C  24  -7.988 -10.503   7.515
  252   2H5*    C  24          2H5*        C  24  -8.537 -12.187   7.430
  253    H4*    C  24           H4*        C  24  -9.683 -11.134   5.659
  254    H3*    C  24           H3*        C  24  -7.170 -12.533   4.687
  255    H2*    C  24           H2*        C  24  -7.619 -11.809   2.481
  256   2HO*    C  24          2HO*        C  24 -10.022 -10.562   2.804
  257    H1*    C  24           H1*        C  24  -8.516  -9.278   3.072
  258   1H4     C  24          1H4         C  24  -2.384  -8.747   1.440
  259   2H4     C  24          2H4         C  24  -1.898  -9.228   3.049
  260    H5     C  24           H5         C  24  -3.426 -10.412   4.521
  261    H6     C  24           H6         C  24  -5.791 -10.807   5.038
  262   1H5*    U  25          1H5*        U  25 -10.238 -12.919   1.933
  263   2H5*    U  25          2H5*        U  25 -10.724 -14.622   1.812
  264    H4*    U  25           H4*        U  25 -10.678 -13.885  -0.431
  265    H3*    U  25           H3*        U  25  -8.149 -15.345   0.373
  266    H2*    U  25           H2*        U  25  -7.210 -14.974  -1.764
  267   2HO*    U  25          2HO*        U  25  -9.403 -13.781  -2.966
  268    H1*    U  25           H1*        U  25  -8.096 -12.406  -2.161
  269    H3     U  25           H3         U  25  -3.702 -11.672  -1.550
  270    H5     U  25           H5         U  25  -4.964 -13.160   2.188
  271    H6     U  25           H6         U  25  -7.157 -13.525   1.227
  272   1H5*    C  26          1H5*        C  26  -9.593 -16.495  -3.450
  273   2H5*    C  26          2H5*        C  26  -9.542 -18.246  -3.740
  274    H4*    C  26           H4*        C  26  -8.438 -17.038  -5.572
  275    H3*    C  26           H3*        C  26  -6.741 -18.748  -3.728
  276    H2*    C  26           H2*        C  26  -4.811 -18.201  -4.989
  277   2HO*    C  26          2HO*        C  26  -6.656 -17.930  -6.984
  278    H1*    C  26           H1*        C  26  -5.361 -15.543  -5.386
  279   1H4     C  26          1H4         C  26  -1.526 -15.963  -0.320
  280   2H4     C  26          2H4         C  26  -2.895 -16.320   0.709
  281    H5     C  26           H5         C  26  -5.052 -16.953  -0.180
  282    H6     C  26           H6         C  26  -6.456 -16.989  -2.188
  283   1H5*    C  27          1H5*        C  27  -6.219 -19.501  -8.021
  284   2H5*    C  27          2H5*        C  27  -5.757 -21.172  -8.405
  285    H4*    C  27           H4*        C  27  -4.210 -19.397  -9.315
  286    H3*    C  27           H3*        C  27  -3.295 -21.618  -7.499
  287    H2*    C  27           H2*        C  27  -1.067 -20.847  -7.596
  288   2HO*    C  27          2HO*        C  27  -1.800 -18.847  -9.487
  289    H1*    C  27           H1*        C  27  -1.599 -18.227  -7.195
  290   1H4     C  27          1H4         C  27  -1.078 -20.832  -1.396
  291   2H4     C  27          2H4         C  27  -2.710 -21.454  -1.511
  292    H5     C  27           H5         C  27  -4.061 -21.254  -3.512
  293    H6     C  27           H6         C  27  -4.145 -20.399  -5.780
  294    H3T    C  27           H3T        C  27  -2.489 -22.366  -9.481
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   9.623 -17.584   0.541
    2   2H5*    G   1          2H5*        G   1  10.387 -18.740  -0.569
    3    H4*    G   1           H4*        G   1   9.791 -17.042  -2.437
    4    H3*    G   1           H3*        G   1   8.602 -15.728  -0.075
    5    H2*    G   1           H2*        G   1   6.413 -16.288  -0.539
    6   2HO*    G   1          2HO*        G   1   6.435 -15.552  -3.202
    7    H1*    G   1           H1*        G   1   6.974 -17.420  -3.248
    8    H8     G   1           H8         G   1   6.373 -19.056   0.193
    9    H1     G   1           H1         G   1   1.454 -19.521  -3.839
   10   1H2     G   1          1H2         G   1   1.896 -18.408  -5.704
   11   2H2     G   1          2H2         G   1   3.392 -17.535  -5.946
   12    H5T    G   1           H5T        G   1  11.222 -16.228   0.268
   13   1H5*    G   2          1H5*        G   2   8.250 -13.882  -4.506
   14   2H5*    G   2          2H5*        G   2   8.260 -12.118  -4.310
   15    H4*    G   2           H4*        G   2   6.750 -12.656  -6.119
   16    H3*    G   2           H3*        G   2   5.427 -11.826  -3.513
   17    H2*    G   2           H2*        G   2   3.310 -12.023  -4.551
   18   2HO*    G   2          2HO*        G   2   3.016 -11.824  -6.695
   19    H1*    G   2           H1*        G   2   3.824 -14.295  -6.024
   20    H8     G   2           H8         G   2   5.170 -14.321  -2.449
   21    H1     G   2           H1         G   2  -0.958 -16.029  -2.874
   22   1H2     G   2          1H2         G   2  -1.615 -15.907  -5.014
   23   2H2     G   2          2H2         G   2  -0.731 -14.926  -6.160
   24   1H5*    A   3          1H5*        A   3   4.231  -9.464  -7.173
   25   2H5*    A   3          2H5*        A   3   3.975  -7.759  -6.748
   26    H4*    A   3           H4*        A   3   2.112  -8.630  -8.114
   27    H3*    A   3           H3*        A   3   1.559  -7.876  -5.220
   28    H2*    A   3           H2*        A   3  -0.736  -8.377  -5.571
   29   2HO*    A   3          2HO*        A   3  -0.460  -8.943  -8.304
   30    H1*    A   3           H1*        A   3  -0.373 -10.668  -7.033
   31    H8     A   3           H8         A   3   2.090 -10.262  -4.151
   32   1H6     A   3          1H6         A   3  -2.179 -12.841  -0.553
   33   2H6     A   3          2H6         A   3  -0.584 -12.122  -0.590
   34    H2     A   3           H2         A   3  -4.034 -12.069  -4.576
   35   1H5*    G   4          1H5*        G   4  -1.177  -6.817  -7.854
   36   2H5*    G   4          2H5*        G   4  -1.389  -5.077  -8.125
   37    H4*    G   4           H4*        G   4  -3.580  -5.908  -8.254
   38    H3*    G   4           H3*        G   4  -2.996  -4.881  -5.444
   39    H2*    G   4           H2*        G   4  -5.245  -5.424  -4.845
   40   2HO*    G   4          2HO*        G   4  -6.315  -6.633  -6.887
   41    H1*    G   4           H1*        G   4  -5.151  -7.940  -5.732
   42    H8     G   4           H8         G   4  -1.695  -6.553  -4.839
   43    H1     G   4           H1         G   4  -4.877  -8.881   0.137
   44   1H2     G   4          1H2         G   4  -6.937  -9.438  -0.457
   45   2H2     G   4          2H2         G   4  -7.554  -9.139  -2.066
   46   1H5*    C   5          1H5*        C   5  -6.259  -3.712  -5.774
   47   2H5*    C   5          2H5*        C   5  -6.684  -1.989  -5.778
   48    H4*    C   5           H4*        C   5  -7.942  -2.835  -3.982
   49    H3*    C   5           H3*        C   5  -5.315  -1.633  -3.087
   50    H2*    C   5           H2*        C   5  -5.670  -2.302  -0.878
   51   2HO*    C   5          2HO*        C   5  -8.402  -2.907  -1.340
   52    H1*    C   5           H1*        C   5  -7.102  -4.654  -1.339
   53   1H4     C   5          1H4         C   5  -1.264  -6.210   0.665
   54   2H4     C   5          2H4         C   5  -0.606  -5.877  -0.922
   55    H5     C   5           H5         C   5  -1.876  -4.801  -2.670
   56    H6     C   5           H6         C   5  -4.099  -4.024  -3.348
   57   1H5*    G   6          1H5*        G   6  -8.380  -0.096  -0.479
   58   2H5*    G   6          2H5*        G   6  -8.440   1.671  -0.642
   59    H4*    G   6           H4*        G   6  -8.454   1.360   1.686
   60    H3*    G   6           H3*        G   6  -5.652   1.864   0.648
   61    H2*    G   6           H2*        G   6  -4.752   1.557   2.797
   62   2HO*    G   6          2HO*        G   6  -7.371   2.249   3.630
   63    H1*    G   6           H1*        G   6  -6.534  -0.382   3.732
   64    H8     G   6           H8         G   6  -4.769  -0.634   0.306
   65    H1     G   6           H1         G   6  -1.746  -3.608   5.067
   66   1H2     G   6          1H2         G   6  -2.688  -3.026   7.021
   67   2H2     G   6          2H2         G   6  -4.335  -2.438   7.056
   68   1H5*    G   7          1H5*        G   7  -6.675   4.015   4.118
   69   2H5*    G   7          2H5*        G   7  -6.264   5.741   4.120
   70    H4*    G   7           H4*        G   7  -5.418   4.903   6.178
   71    H3*    G   7           H3*        G   7  -3.314   5.224   4.026
   72    H2*    G   7           H2*        G   7  -1.681   4.258   5.382
   73   2HO*    G   7          2HO*        G   7  -3.235   5.414   7.414
   74    H1*    G   7           H1*        G   7  -3.352   2.633   6.993
   75    H8     G   7           H8         G   7  -2.639   2.791   3.176
   76    H1     G   7           H1         G   7  -0.215  -2.285   6.176
   77   1H2     G   7          1H2         G   7  -0.790  -2.240   8.322
   78   2H2     G   7          2H2         G   7  -1.584  -0.858   9.045
   79   1H5*    G   8          1H5*        G   8  -2.170   6.843   8.099
   80   2H5*    G   8          2H5*        G   8  -1.966   8.583   7.813
   81    H4*    G   8           H4*        G   8  -0.294   7.917   9.411
   82    H3*    G   8           H3*        G   8   0.599   8.588   6.622
   83    H2*    G   8           H2*        G   8   2.817   7.852   6.983
   84   2HO*    G   8          2HO*        G   8   2.416   8.759   9.407
   85    H1*    G   8           H1*        G   8   2.334   5.572   8.320
   86    H8     G   8           H8         G   8  -0.538   6.001   5.951
   87    H1     G   8           H1         G   8   4.732   3.982   2.989
   88   1H2     G   8          1H2         G   8   6.451   4.009   4.412
   89   2H2     G   8          2H2         G   8   6.367   4.876   5.929
   90   1H5*    G   9          1H5*        G   9   3.468  10.444   9.145
   91   2H5*    G   9          2H5*        G   9   3.598  12.186   8.825
   92    H4*    G   9           H4*        G   9   5.822  11.264   8.731
   93    H3*    G   9           H3*        G   9   4.555  12.045   6.098
   94    H2*    G   9           H2*        G   9   6.455  11.239   4.892
   95   2HO*    G   9          2HO*        G   9   7.735  10.836   7.415
   96    H1*    G   9           H1*        G   9   6.719   8.899   6.118
   97    H8     G   9           H8         G   9   3.070  10.017   6.114
   98    H1     G   9           H1         G   9   4.800   6.905   0.821
   99   1H2     G   9          1H2         G   9   7.017   6.288   1.075
  100   2H2     G   9          2H2         G   9   8.021   7.504   1.830
  101   1H5*    G  10          1H5*        G  10   8.205  12.753   5.606
  102   2H5*    G  10          2H5*        G  10   8.706  14.426   5.289
  103    H4*    G  10           H4*        G  10   9.689  13.227   3.522
  104    H3*    G  10           H3*        G  10   7.050  14.480   2.732
  105    H2*    G  10           H2*        G  10   7.164  13.494   0.589
  106   2HO*    G  10          2HO*        G  10   9.083  12.729  -0.289
  107    H1*    G  10           H1*        G  10   8.200  11.053   1.302
  108    H8     G  10           H8         G  10   5.489  12.519   3.588
  109    H1     G  10           H1         G  10   3.214   8.998  -1.206
  110   1H2     G  10          1H2         G  10   4.855   8.434  -2.585
  111   2H2     G  10          2H2         G  10   6.494   9.010  -2.376
  112   1H5*    U  11          1H5*        U  11   9.101  14.794  -0.286
  113   2H5*    U  11          2H5*        U  11   9.445  16.376  -1.009
  114    H4*    U  11           H4*        U  11   8.469  15.189  -2.785
  115    H3*    U  11           H3*        U  11   6.473  16.924  -1.323
  116    H2*    U  11           H2*        U  11   4.679  15.987  -2.454
  117   2HO*    U  11          2HO*        U  11   5.530  14.875  -4.653
  118    H1*    U  11           H1*        U  11   5.941  13.544  -3.315
  119    H3     U  11           H3         U  11   2.067  11.848  -1.822
  120    H5     U  11           H5         U  11   3.569  13.904   1.540
  121    H6     U  11           H6         U  11   5.401  14.697   0.154
  122   1H5*    G  12          1H5*        G  12   4.416  20.072  -2.242
  123   2H5*    G  12          2H5*        G  12   4.672  18.373  -1.797
  124    H4*    G  12           H4*        G  12   3.085  18.940  -4.277
  125    H3*    G  12           H3*        G  12   2.209  19.625  -1.461
  126    H2*    G  12           H2*        G  12   0.101  18.612  -1.822
  127   2HO*    G  12          2HO*        G  12   0.605  18.116  -4.558
  128    H1*    G  12           H1*        G  12   0.946  16.403  -3.181
  129    H8     G  12           H8         G  12   3.242  17.532  -0.341
  130    H1     G  12           H1         G  12  -1.582  13.838   1.587
  131   1H2     G  12          1H2         G  12  -3.110  13.708  -0.077
  132   2H2     G  12          2H2         G  12  -2.546  13.838  -1.728
  133   1H5*    U  13          1H5*        U  13  -0.537  23.106  -3.525
  134   2H5*    U  13          2H5*        U  13  -0.890  23.872  -1.964
  135    H4*    U  13           H4*        U  13  -2.807  22.701  -1.697
  136    H3*    U  13           H3*        U  13  -1.030  20.485  -1.879
  137    H2*    U  13           H2*        U  13  -1.686  19.345  -3.774
  138   2HO*    U  13          2HO*        U  13  -3.628  18.840  -2.428
  139    H1*    U  13           H1*        U  13  -3.530  20.952  -5.074
  140    H3     U  13           H3         U  13  -0.728  21.840  -8.465
  141    H5     U  13           H5         U  13   1.878  20.963  -5.270
  142    H6     U  13           H6         U  13  -0.060  20.812  -3.818
  143   1H5*    A  14          1H5*        A  14  -5.460  18.425  -0.147
  144   2H5*    A  14          2H5*        A  14  -4.985  16.715  -0.182
  145    H4*    A  14           H4*        A  14  -6.980  17.756  -1.713
  146    H3*    A  14           H3*        A  14  -5.136  15.390  -2.039
  147    H2*    A  14           H2*        A  14  -5.685  15.113  -4.283
  148   2HO*    A  14          2HO*        A  14  -8.121  15.581  -3.322
  149    H1*    A  14           H1*        A  14  -6.489  17.760  -4.908
  150    H8     A  14           H8         A  14  -2.941  17.488  -3.646
  151   1H6     A  14          2H6         A  14  -0.979  15.591  -8.519
  152   2H6     A  14          1H6         A  14  -0.994  17.323  -8.767
  153    H2     A  14           H2         A  14  -5.760  16.148  -9.234
  154   1H5*    A  15          1H5*        A  15  -8.947  12.116  -2.696
  155   2H5*    A  15          2H5*        A  15  -7.610  11.075  -2.166
  156    H4*    A  15           H4*        A  15  -8.676  10.970  -4.655
  157    H3*    A  15           H3*        A  15  -6.016  10.271  -3.481
  158    H2*    A  15           H2*        A  15  -4.854  10.272  -5.525
  159   2HO*    A  15          2HO*        A  15  -6.824  10.644  -7.345
  160    H1*    A  15           H1*        A  15  -5.967  12.401  -6.752
  161    H8     A  15           H8         A  15  -5.511  12.534  -2.913
  162   1H6     A  15          1H6         A  15  -0.257  15.494  -4.057
  163   2H6     A  15          2H6         A  15  -1.160  14.654  -2.818
  164    H2     A  15           H2         A  15  -1.969  14.135  -7.994
  165   1H5*    A  16          1H5*        A  16  -6.072   7.971  -6.770
  166   2H5*    A  16          2H5*        A  16  -5.601   6.290  -6.453
  167    H4*    A  16           H4*        A  16  -4.043   7.344  -8.038
  168    H3*    A  16           H3*        A  16  -3.070   6.556  -5.282
  169    H2*    A  16           H2*        A  16  -0.910   7.397  -5.754
  170   2HO*    A  16          2HO*        A  16  -0.959   8.245  -8.250
  171    H1*    A  16           H1*        A  16  -1.635   9.684  -7.051
  172    H8     A  16           H8         A  16  -3.923   8.833  -4.120
  173   1H6     A  16          1H6         A  16   0.132  11.745  -0.512
  174   2H6     A  16          2H6         A  16  -1.447  10.995  -0.580
  175    H2     A  16           H2         A  16   1.886  11.469  -4.641
  176   1H5*    C  17          1H5*        C  17  -0.234   5.621  -8.227
  177   2H5*    C  17          2H5*        C  17   0.460   3.998  -8.047
  178    H4*    C  17           H4*        C  17   2.269   5.621  -8.182
  179    H3*    C  17           H3*        C  17   1.770   4.378  -5.453
  180    H2*    C  17           H2*        C  17   3.607   5.593  -4.597
  181   2HO*    C  17          2HO*        C  17   4.833   6.831  -6.473
  182    H1*    C  17           H1*        C  17   3.232   7.923  -6.058
  183   1H4     C  17          1H4         C  17   1.126   8.671  -0.048
  184   2H4     C  17          2H4         C  17  -0.498   8.571  -0.688
  185    H5     C  17           H5         C  17  -0.584   6.674  -2.430
  186    H6     C  17           H6         C  17   0.391   6.070  -4.592
  187   1H5*    C  18          1H5*        C  18   5.943   4.159  -6.668
  188   2H5*    C  18          2H5*        C  18   6.463   2.462  -6.633
  189    H4*    C  18           H4*        C  18   8.252   3.675  -5.652
  190    H3*    C  18           H3*        C  18   6.446   2.327  -3.620
  191    H2*    C  18           H2*        C  18   7.765   3.212  -1.848
  192   2HO*    C  18          2HO*        C  18   9.713   4.566  -2.708
  193    H1*    C  18           H1*        C  18   8.013   5.737  -2.796
  194   1H4     C  18          1H4         C  18   2.677   5.899   0.651
  195   2H4     C  18          2H4         C  18   1.807   5.017  -0.585
  196    H5     C  18           H5         C  18   2.856   4.158  -2.576
  197    H6     C  18           H6         C  18   4.961   3.950  -3.810
  198   1H5*    U  19          1H5*        U  19  10.298   0.888  -2.546
  199   2H5*    U  19          2H5*        U  19  10.202  -0.693  -1.745
  200    H4*    U  19           H4*        U  19  10.835   1.215  -0.217
  201    H3*    U  19           H3*        U  19   8.504  -0.637   0.218
  202    H2*    U  19           H2*        U  19   7.655   0.607   2.015
  203   2HO*    U  19          2HO*        U  19   9.134   1.113   3.442
  204    H1*    U  19           H1*        U  19   8.315   3.158   1.217
  205    H3     U  19           H3         U  19   3.807   3.102   1.272
  206    H5     U  19           H5         U  19   4.802   0.827  -2.134
  207    H6     U  19           H6         U  19   7.133   0.970  -1.466
  208   1H5*    A  20          1H5*        A  20   8.364  -3.301   3.708
  209   2H5*    A  20          2H5*        A  20   8.094  -1.781   2.829
  210    H4*    A  20           H4*        A  20   9.667  -1.460   5.312
  211    H3*    A  20           H3*        A  20   6.935  -2.762   5.355
  212    H2*    A  20           H2*        A  20   6.205  -1.318   7.067
  213   2HO*    A  20          2HO*        A  20   8.450  -1.668   8.112
  214    H1*    A  20           H1*        A  20   7.488   0.991   6.260
  215    H8     A  20           H8         A  20   5.802  -1.009   3.472
  216   1H6     A  20          1H6         A  20   0.637   2.032   4.845
  217   2H6     A  20          2H6         A  20   1.468   1.165   3.573
  218    H2     A  20           H2         A  20   3.776   3.191   7.857
  219   1H5*    U  21          1H5*        U  21   7.704  -3.183   9.285
  220   2H5*    U  21          2H5*        U  21   7.732  -4.882   9.797
  221    H4*    U  21           H4*        U  21   6.042  -3.954  11.140
  222    H3*    U  21           H3*        U  21   4.930  -5.305   8.674
  223    H2*    U  21           H2*        U  21   2.752  -4.585   9.166
  224   2HO*    U  21          2HO*        U  21   2.701  -3.562  11.554
  225    H1*    U  21           H1*        U  21   3.345  -2.145  10.384
  226    H3     U  21           H3         U  21   1.182  -0.409   6.886
  227    H5     U  21           H5         U  21   4.062  -2.879   5.048
  228    H6     U  21           H6         U  21   4.790  -3.563   7.260
  229   1H5*    C  22          1H5*        C  22   2.745  -6.147  12.134
  230   2H5*    C  22          2H5*        C  22   2.356  -7.855  12.423
  231    H4*    C  22           H4*        C  22   0.303  -6.615  12.628
  232    H3*    C  22           H3*        C  22   0.624  -8.178  10.046
  233    H2*    C  22           H2*        C  22  -1.489  -7.458   9.319
  234   2HO*    C  22          2HO*        C  22  -3.074  -6.729  10.735
  235    H1*    C  22           H1*        C  22  -1.396  -4.846  10.439
  236   1H4     C  22          1H4         C  22  -0.309  -4.229   4.189
  237   2H4     C  22          2H4         C  22   1.306  -4.874   4.377
  238    H5     C  22           H5         C  22   2.001  -6.040   6.379
  239    H6     C  22           H6         C  22   1.494  -6.432   8.744
  240   1H5*    G  23          1H5*        G  23  -3.174  -8.708  11.481
  241   2H5*    G  23          2H5*        G  23  -3.784 -10.368  11.327
  242    H4*    G  23           H4*        G  23  -5.271  -8.807  10.153
  243    H3*    G  23           H3*        G  23  -3.604 -10.685   8.434
  244    H2*    G  23           H2*        G  23  -4.655  -9.810   6.530
  245   2HO*    G  23          2HO*        G  23  -6.742  -9.488   6.570
  246    H1*    G  23           H1*        G  23  -5.096  -7.198   7.535
  247    H8     G  23           H8         G  23  -1.566  -8.680   7.516
  248    H1     G  23           H1         G  23  -3.169  -5.780   2.071
  249   1H2     G  23          1H2         G  23  -5.274  -5.056   2.198
  250   2H2     G  23          2H2         G  23  -6.367  -5.652   3.426
  251   1H5*    C  24          1H5*        C  24  -8.104 -10.826   7.727
  252   2H5*    C  24          2H5*        C  24  -8.520 -12.549   7.803
  253    H4*    C  24           H4*        C  24  -9.783 -11.795   5.978
  254    H3*    C  24           H3*        C  24  -7.133 -12.940   5.036
  255    H2*    C  24           H2*        C  24  -7.738 -12.455   2.798
  256   2HO*    C  24          2HO*        C  24 -10.382 -12.052   3.815
  257    H1*    C  24           H1*        C  24  -8.902 -10.007   3.241
  258   1H4     C  24          1H4         C  24  -2.833  -9.239   1.347
  259   2H4     C  24          2H4         C  24  -2.409  -8.925   3.015
  260    H5     C  24           H5         C  24  -3.692 -10.375   4.642
  261    H6     C  24           H6         C  24  -5.984 -10.986   5.266
  262   1H5*    U  25          1H5*        U  25 -10.363 -14.152   2.537
  263   2H5*    U  25          2H5*        U  25 -10.458 -15.924   2.525
  264    H4*    U  25           H4*        U  25 -10.711 -15.275   0.253
  265    H3*    U  25           H3*        U  25  -7.910 -16.220   0.934
  266    H2*    U  25           H2*        U  25  -7.227 -15.834  -1.302
  267   2HO*    U  25          2HO*        U  25  -8.915 -15.267  -2.907
  268    H1*    U  25           H1*        U  25  -8.548 -13.468  -1.709
  269    H3     U  25           H3         U  25  -4.265 -12.100  -1.492
  270    H5     U  25           H5         U  25  -5.035 -13.501   2.407
  271    H6     U  25           H6         U  25  -7.218 -14.223   1.644
  272   1H5*    C  26          1H5*        C  26  -9.444 -17.691  -2.626
  273   2H5*    C  26          2H5*        C  26  -9.213 -19.421  -2.950
  274    H4*    C  26           H4*        C  26  -8.499 -18.079  -4.882
  275    H3*    C  26           H3*        C  26  -6.402 -19.586  -3.290
  276    H2*    C  26           H2*        C  26  -4.712 -18.800  -4.751
  277   2HO*    C  26          2HO*        C  26  -6.798 -18.739  -6.516
  278    H1*    C  26           H1*        C  26  -5.622 -16.227  -5.040
  279   1H4     C  26          1H4         C  26  -1.171 -16.195  -0.481
  280   2H4     C  26          2H4         C  26  -2.375 -16.628   0.712
  281    H5     C  26           H5         C  26  -4.559 -17.472   0.098
  282    H6     C  26           H6         C  26  -6.175 -17.702  -1.731
  283   1H5*    C  27          1H5*        C  27  -6.384 -20.260  -7.657
  284   2H5*    C  27          2H5*        C  27  -5.930 -21.916  -8.105
  285    H4*    C  27           H4*        C  27  -4.632 -20.165  -9.318
  286    H3*    C  27           H3*        C  27  -3.286 -22.168  -7.518
  287    H2*    C  27           H2*        C  27  -1.163 -21.261  -8.016
  288   2HO*    C  27          2HO*        C  27  -0.776 -19.979  -9.748
  289    H1*    C  27           H1*        C  27  -1.830 -18.660  -7.717
  290   1H4     C  27          1H4         C  27  -0.245 -20.761  -1.904
  291   2H4     C  27          2H4         C  27  -1.837 -21.461  -1.710
  292    H5     C  27           H5         C  27  -3.471 -21.536  -3.495
  293    H6     C  27           H6         C  27  -3.959 -20.878  -5.777
  294    H3T    C  27           H3T        C  27  -3.545 -23.221  -9.333
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  10.968 -19.571   0.045
    2   2H5*    G   1          2H5*        G   1  10.397 -18.056   0.774
    3    H4*    G   1           H4*        G   1   9.948 -18.597  -1.788
    4    H3*    G   1           H3*        G   1   8.512 -17.044   0.256
    5    H2*    G   1           H2*        G   1   6.376 -17.687  -0.314
    6   2HO*    G   1          2HO*        G   1   7.054 -17.145  -3.027
    7    H1*    G   1           H1*        G   1   7.081 -19.235  -2.747
    8    H8     G   1           H8         G   1   6.636 -20.531   0.833
    9    H1     G   1           H1         G   1   1.489 -21.311  -2.851
   10   1H2     G   1          1H2         G   1   1.802 -20.326  -4.812
   11   2H2     G   1          2H2         G   1   3.270 -19.459  -5.205
   12    H5T    G   1           H5T        G   1   8.391 -19.584   1.077
   13   1H5*    G   2          1H5*        G   2   8.367 -15.499  -4.233
   14   2H5*    G   2          2H5*        G   2   8.352 -13.723  -4.209
   15    H4*    G   2           H4*        G   2   6.774 -14.480  -5.889
   16    H3*    G   2           H3*        G   2   5.572 -13.359  -3.334
   17    H2*    G   2           H2*        G   2   3.410 -13.688  -4.224
   18   2HO*    G   2          2HO*        G   2   3.036 -13.962  -6.428
   19    H1*    G   2           H1*        G   2   3.892 -16.085  -5.520
   20    H8     G   2           H8         G   2   5.324 -15.827  -1.997
   21    H1     G   2           H1         G   2  -0.824 -17.504  -2.125
   22   1H2     G   2          1H2         G   2  -1.638 -17.210  -4.181
   23   2H2     G   2          2H2         G   2  -0.587 -16.955  -5.554
   24   1H5*    A   3          1H5*        A   3   4.222 -11.470  -7.190
   25   2H5*    A   3          2H5*        A   3   3.974  -9.726  -6.989
   26    H4*    A   3           H4*        A   3   2.068 -10.771  -8.162
   27    H3*    A   3           H3*        A   3   1.613  -9.640  -5.375
   28    H2*    A   3           H2*        A   3  -0.693 -10.180  -5.582
   29   2HO*    A   3          2HO*        A   3  -0.522 -11.133  -8.207
   30    H1*    A   3           H1*        A   3  -0.369 -12.649  -6.716
   31    H8     A   3           H8         A   3   2.219 -11.883  -4.032
   32   1H6     A   3          1H6         A   3  -1.883 -13.911   0.069
   33   2H6     A   3          2H6         A   3  -0.337 -13.111  -0.110
   34    H2     A   3           H2         A   3  -3.943 -13.601  -3.919
   35   1H5*    G   4          1H5*        G   4  -1.245  -8.907  -7.999
   36   2H5*    G   4          2H5*        G   4  -1.446  -7.212  -8.485
   37    H4*    G   4           H4*        G   4  -3.652  -7.990  -8.406
   38    H3*    G   4           H3*        G   4  -2.920  -6.671  -5.758
   39    H2*    G   4           H2*        G   4  -5.141  -7.103  -4.993
   40   2HO*    G   4          2HO*        G   4  -5.663  -8.073  -7.643
   41    H1*    G   4           H1*        G   4  -5.126  -9.702  -5.598
   42    H8     G   4           H8         G   4  -1.614  -8.277  -5.041
   43    H1     G   4           H1         G   4  -4.538 -10.051   0.301
   44   1H2     G   4          1H2         G   4  -6.659 -10.561  -0.110
   45   2H2     G   4          2H2         G   4  -7.324 -10.538  -1.728
   46   1H5*    C   5          1H5*        C   5  -6.207  -5.476  -6.128
   47   2H5*    C   5          2H5*        C   5  -6.603  -3.749  -6.268
   48    H4*    C   5           H4*        C   5  -7.815  -4.432  -4.366
   49    H3*    C   5           H3*        C   5  -5.156  -3.168  -3.670
   50    H2*    C   5           H2*        C   5  -5.445  -3.626  -1.398
   51   2HO*    C   5          2HO*        C   5  -7.332  -3.097  -0.613
   52    H1*    C   5           H1*        C   5  -6.911  -5.998  -1.599
   53   1H4     C   5          1H4         C   5  -1.034  -7.366   0.433
   54   2H4     C   5          2H4         C   5  -0.404  -7.182  -1.188
   55    H5     C   5           H5         C   5  -1.721  -6.340  -3.026
   56    H6     C   5           H6         C   5  -3.958  -5.626  -3.732
   57   1H5*    G   6          1H5*        G   6  -8.534  -1.515  -1.214
   58   2H5*    G   6          2H5*        G   6  -8.475   0.249  -1.403
   59    H4*    G   6           H4*        G   6  -8.845  -0.171   0.925
   60    H3*    G   6           H3*        G   6  -6.005   0.618   0.210
   61    H2*    G   6           H2*        G   6  -5.361   0.435   2.475
   62   2HO*    G   6          2HO*        G   6  -7.632  -0.089   3.786
   63    H1*    G   6           H1*        G   6  -6.874  -1.778   3.146
   64    H8     G   6           H8         G   6  -4.965  -1.709  -0.199
   65    H1     G   6           H1         G   6  -1.655  -4.164   4.664
   66   1H2     G   6          1H2         G   6  -2.731  -3.738   6.586
   67   2H2     G   6          2H2         G   6  -4.451  -3.416   6.572
   68   1H5*    G   7          1H5*        G   7  -7.465   2.832   3.651
   69   2H5*    G   7          2H5*        G   7  -7.118   4.564   3.468
   70    H4*    G   7           H4*        G   7  -6.345   3.878   5.657
   71    H3*    G   7           H3*        G   7  -4.264   4.464   3.555
   72    H2*    G   7           H2*        G   7  -2.533   3.639   4.853
   73   2HO*    G   7          2HO*        G   7  -2.500   3.899   7.094
   74    H1*    G   7           H1*        G   7  -4.056   2.010   6.661
   75    H8     G   7           H8         G   7  -3.188   1.853   2.880
   76    H1     G   7           H1         G   7  -0.409  -2.616   6.478
   77   1H2     G   7          1H2         G   7  -0.671  -1.708   8.797
   78   2H2     G   7          2H2         G   7  -2.414  -1.744   8.927
   79   1H5*    G   8          1H5*        G   8  -3.400   6.305   7.650
   80   2H5*    G   8          2H5*        G   8  -3.167   8.036   7.331
   81    H4*    G   8           H4*        G   8  -1.518   7.219   8.965
   82    H3*    G   8           H3*        G   8  -0.682   8.258   6.273
   83    H2*    G   8           H2*        G   8   1.567   7.589   6.526
   84   2HO*    G   8          2HO*        G   8   2.382   6.928   8.595
   85    H1*    G   8           H1*        G   8   1.217   5.156   7.620
   86    H8     G   8           H8         G   8  -1.682   5.593   5.307
   87    H1     G   8           H1         G   8   3.718   4.408   2.127
   88   1H2     G   8          1H2         G   8   5.446   4.475   3.534
   89   2H2     G   8          2H2         G   8   5.293   5.115   5.155
   90   1H5*    G   9          1H5*        G   9   2.189   9.742   9.104
   91   2H5*    G   9          2H5*        G   9   2.319  11.508   8.989
   92    H4*    G   9           H4*        G   9   4.549  10.545   8.885
   93    H3*    G   9           H3*        G   9   3.403  11.821   6.400
   94    H2*    G   9           H2*        G   9   5.296  11.180   5.109
   95   2HO*    G   9          2HO*        G   9   6.992   9.944   6.544
   96    H1*    G   9           H1*        G   9   5.518   8.665   5.916
   97    H8     G   9           H8         G   9   1.880   9.815   6.007
   98    H1     G   9           H1         G   9   3.738   7.667   0.296
   99   1H2     G   9          1H2         G   9   5.920   7.251   0.317
  100   2H2     G   9          2H2         G   9   6.942   7.688   1.668
  101   1H5*    G  10          1H5*        G  10   7.291  12.345   6.312
  102   2H5*    G  10          2H5*        G  10   7.843  14.027   6.203
  103    H4*    G  10           H4*        G  10   8.958  12.865   4.443
  104    H3*    G  10           H3*        G  10   6.588  14.524   3.541
  105    H2*    G  10           H2*        G  10   6.914  13.828   1.305
  106   2HO*    G  10          2HO*        G  10   9.451  12.782   2.116
  107    H1*    G  10           H1*        G  10   7.586  11.206   1.785
  108    H8     G  10           H8         G  10   4.730  12.706   3.860
  109    H1     G  10           H1         G  10   2.835  10.109  -1.636
  110   1H2     G  10          1H2         G  10   4.623   9.727  -2.936
  111   2H2     G  10          2H2         G  10   6.216   9.586  -2.226
  112   1H5*    U  11          1H5*        U  11   9.071  14.912   0.778
  113   2H5*    U  11          2H5*        U  11   9.667  16.537   0.399
  114    H4*    U  11           H4*        U  11   8.874  15.754  -1.674
  115    H3*    U  11           H3*        U  11   6.890  17.508  -0.228
  116    H2*    U  11           H2*        U  11   5.171  16.971  -1.682
  117   2HO*    U  11          2HO*        U  11   7.220  16.638  -3.646
  118    H1*    U  11           H1*        U  11   6.292  14.561  -2.814
  119    H3     U  11           H3         U  11   2.096  13.125  -2.161
  120    H5     U  11           H5         U  11   3.243  14.483   1.662
  121    H6     U  11           H6         U  11   5.345  15.227   0.695
  122   1H5*    G  12          1H5*        G  12   5.384  20.990  -0.752
  123   2H5*    G  12          2H5*        G  12   5.428  19.228  -0.529
  124    H4*    G  12           H4*        G  12   4.112  20.332  -2.997
  125    H3*    G  12           H3*        G  12   3.057  20.569  -0.164
  126    H2*    G  12           H2*        G  12   0.908  19.873  -0.887
  127   2HO*    G  12          2HO*        G  12   1.922  20.429  -3.496
  128    H1*    G  12           H1*        G  12   1.701  17.856  -2.540
  129    H8     G  12           H8         G  12   3.817  18.246   0.618
  130    H1     G  12           H1         G  12  -1.441  14.754   1.490
  131   1H2     G  12          1H2         G  12  -2.794  14.992  -0.279
  132   2H2     G  12          2H2         G  12  -2.151  15.525  -1.815
  133   1H5*    U  13          1H5*        U  13   0.815  24.644  -1.716
  134   2H5*    U  13          2H5*        U  13   0.414  25.151  -0.065
  135    H4*    U  13           H4*        U  13  -1.628  24.176  -0.134
  136    H3*    U  13           H3*        U  13  -0.098  21.838  -0.704
  137    H2*    U  13           H2*        U  13  -0.754  21.203  -2.824
  138   2HO*    U  13          2HO*        U  13  -3.328  21.889  -2.994
  139    H1*    U  13           H1*        U  13  -2.283  23.274  -3.840
  140    H3     U  13           H3         U  13   0.861  24.488  -6.805
  141    H5     U  13           H5         U  13   3.091  22.628  -3.751
  142    H6     U  13           H6         U  13   1.041  22.422  -2.471
  143   1H5*    A  14          1H5*        A  14  -4.815  20.011   0.373
  144   2H5*    A  14          2H5*        A  14  -4.497  18.293   0.063
  145    H4*    A  14           H4*        A  14  -6.292  19.719  -1.355
  146    H3*    A  14           H3*        A  14  -4.542  17.366  -2.048
  147    H2*    A  14           H2*        A  14  -4.912  17.576  -4.338
  148   2HO*    A  14          2HO*        A  14  -7.101  17.448  -4.419
  149    H1*    A  14           H1*        A  14  -5.454  20.334  -4.505
  150    H8     A  14           H8         A  14  -2.145  19.471  -2.868
  151   1H6     A  14          1H6         A  14   0.268  19.059  -8.469
  152   2H6     A  14          2H6         A  14   0.639  19.687  -6.879
  153    H2     A  14           H2         A  14  -4.192  19.685  -8.929
  154   1H5*    A  15          1H5*        A  15  -8.462  14.790  -3.501
  155   2H5*    A  15          2H5*        A  15  -7.441  13.366  -3.213
  156    H4*    A  15           H4*        A  15  -8.194  14.050  -5.675
  157    H3*    A  15           H3*        A  15  -5.688  12.796  -4.609
  158    H2*    A  15           H2*        A  15  -4.444  13.147  -6.581
  159   2HO*    A  15          2HO*        A  15  -5.709  13.995  -8.505
  160    H1*    A  15           H1*        A  15  -5.242  15.641  -7.226
  161    H8     A  15           H8         A  15  -4.996  14.755  -3.476
  162   1H6     A  15          1H6         A  15   0.716  17.019  -3.716
  163   2H6     A  15          2H6         A  15  -0.538  16.398  -2.669
  164    H2     A  15           H2         A  15  -0.976  17.073  -7.881
  165   1H5*    A  16          1H5*        A  16  -5.777  11.003  -8.197
  166   2H5*    A  16          2H5*        A  16  -5.651   9.235  -8.080
  167    H4*    A  16           H4*        A  16  -3.769  10.061  -9.371
  168    H3*    A  16           H3*        A  16  -3.200   9.044  -6.575
  169    H2*    A  16           H2*        A  16  -0.894   9.538  -6.835
  170   2HO*    A  16          2HO*        A  16  -1.151  10.350  -9.518
  171    H1*    A  16           H1*        A  16  -1.152  11.972  -8.020
  172    H8     A  16           H8         A  16  -3.850  11.355  -5.402
  173   1H6     A  16          1H6         A  16   0.127  13.501  -1.237
  174   2H6     A  16          2H6         A  16  -1.413  12.694  -1.440
  175    H2     A  16           H2         A  16   2.331  12.997  -5.133
  176   1H5*    C  17          1H5*        C  17  -0.325   7.764  -9.263
  177   2H5*    C  17          2H5*        C  17   0.133   6.056  -9.111
  178    H4*    C  17           H4*        C  17   2.132   7.462  -9.004
  179    H3*    C  17           H3*        C  17   1.259   6.087  -6.437
  180    H2*    C  17           H2*        C  17   3.161   6.975  -5.351
  181   2HO*    C  17          2HO*        C  17   4.164   7.673  -7.939
  182    H1*    C  17           H1*        C  17   3.166   9.455  -6.582
  183   1H4     C  17          1H4         C  17   0.624   9.789  -0.710
  184   2H4     C  17          2H4         C  17  -0.936   9.984  -1.478
  185    H5     C  17           H5         C  17  -1.129   8.399  -3.482
  186    H6     C  17           H6         C  17  -0.046   7.930  -5.625
  187   1H5*    C  18          1H5*        C  18   5.448   5.472  -7.509
  188   2H5*    C  18          2H5*        C  18   5.832   3.739  -7.497
  189    H4*    C  18           H4*        C  18   7.665   4.846  -6.428
  190    H3*    C  18           H3*        C  18   5.751   3.443  -4.533
  191    H2*    C  18           H2*        C  18   7.076   4.143  -2.681
  192   2HO*    C  18          2HO*        C  18   9.062   5.544  -3.739
  193    H1*    C  18           H1*        C  18   7.441   6.709  -3.443
  194   1H4     C  18          1H4         C  18   2.053   6.764  -0.057
  195   2H4     C  18          2H4         C  18   1.151   6.201  -1.445
  196    H5     C  18           H5         C  18   2.209   5.356  -3.437
  197    H6     C  18           H6         C  18   4.334   5.151  -4.648
  198   1H5*    U  19          1H5*        U  19   9.487   2.048  -3.593
  199   2H5*    U  19          2H5*        U  19   9.588   0.453  -2.821
  200    H4*    U  19           H4*        U  19  10.048   2.357  -1.253
  201    H3*    U  19           H3*        U  19   7.840   0.347  -0.837
  202    H2*    U  19           H2*        U  19   6.989   1.492   1.037
  203   2HO*    U  19          2HO*        U  19   9.081   3.338   1.251
  204    H1*    U  19           H1*        U  19   7.391   4.083   0.230
  205    H3     U  19           H3         U  19   2.897   3.399   0.421
  206    H5     U  19           H5         U  19   4.094   1.714  -3.253
  207    H6     U  19           H6         U  19   6.398   2.044  -2.581
  208   1H5*    A  20          1H5*        A  20   7.857  -2.351   2.403
  209   2H5*    A  20          2H5*        A  20   7.702  -0.711   1.741
  210    H4*    A  20           H4*        A  20   9.434  -0.758   4.098
  211    H3*    A  20           H3*        A  20   6.733  -2.105   4.267
  212    H2*    A  20           H2*        A  20   6.134  -0.867   6.175
  213   2HO*    A  20          2HO*        A  20   8.589  -1.206   6.857
  214    H1*    A  20           H1*        A  20   7.260   1.552   5.518
  215    H8     A  20           H8         A  20   5.467  -0.323   2.695
  216   1H6     A  20          2H6         A  20   0.425   1.520   4.408
  217   2H6     A  20          1H6         A  20   1.011   2.731   3.288
  218    H2     A  20           H2         A  20   3.613   3.570   7.423
  219   1H5*    U  21          1H5*        U  21   7.930  -2.590   8.091
  220   2H5*    U  21          2H5*        U  21   8.018  -4.297   8.574
  221    H4*    U  21           H4*        U  21   6.536  -3.334  10.141
  222    H3*    U  21           H3*        U  21   5.122  -4.760   7.879
  223    H2*    U  21           H2*        U  21   3.015  -4.094   8.678
  224   2HO*    U  21          2HO*        U  21   2.660  -4.144  10.758
  225    H1*    U  21           H1*        U  21   3.682  -1.582   9.645
  226    H3     U  21           H3         U  21   0.958  -0.345   6.313
  227    H5     U  21           H5         U  21   4.032  -2.411   4.299
  228    H6     U  21           H6         U  21   5.003  -2.937   6.458
  229   1H5*    C  22          1H5*        C  22   3.423  -6.016  11.627
  230   2H5*    C  22          2H5*        C  22   3.200  -7.775  11.715
  231    H4*    C  22           H4*        C  22   1.090  -6.639  12.229
  232    H3*    C  22           H3*        C  22   1.326  -8.207   9.651
  233    H2*    C  22           H2*        C  22  -0.846  -7.632   9.005
  234   2HO*    C  22          2HO*        C  22  -1.419  -6.657  11.632
  235    H1*    C  22           H1*        C  22  -0.927  -5.015  10.108
  236   1H4     C  22          1H4         C  22  -0.051  -4.210   3.853
  237   2H4     C  22          2H4         C  22   1.435  -5.132   3.891
  238    H5     C  22           H5         C  22   2.495  -5.750   5.981
  239    H6     C  22           H6         C  22   2.115  -6.146   8.369
  240   1H5*    G  23          1H5*        G  23  -2.315  -8.875  11.362
  241   2H5*    G  23          2H5*        G  23  -2.866 -10.562  11.337
  242    H4*    G  23           H4*        G  23  -4.506  -9.086  10.236
  243    H3*    G  23           H3*        G  23  -2.974 -11.075   8.523
  244    H2*    G  23           H2*        G  23  -4.183 -10.362   6.640
  245   2HO*    G  23          2HO*        G  23  -6.266 -10.182   6.931
  246    H1*    G  23           H1*        G  23  -4.488  -7.669   7.386
  247    H8     G  23           H8         G  23  -0.976  -9.183   7.471
  248    H1     G  23           H1         G  23  -2.680  -6.934   1.753
  249   1H2     G  23          1H2         G  23  -4.781  -6.143   1.870
  250   2H2     G  23          2H2         G  23  -5.862  -6.718   3.118
  251   1H5*    C  24          1H5*        C  24  -7.529 -11.328   8.261
  252   2H5*    C  24          2H5*        C  24  -7.925 -13.050   8.429
  253    H4*    C  24           H4*        C  24  -9.329 -12.279   6.683
  254    H3*    C  24           H3*        C  24  -6.854 -13.708   5.669
  255    H2*    C  24           H2*        C  24  -7.521 -13.317   3.436
  256   2HO*    C  24          2HO*        C  24  -9.978 -12.162   3.895
  257    H1*    C  24           H1*        C  24  -8.516 -10.770   3.752
  258   1H4     C  24          1H4         C  24  -2.598 -10.207   1.468
  259   2H4     C  24          2H4         C  24  -1.960 -10.298   3.093
  260    H5     C  24           H5         C  24  -3.259 -11.314   4.881
  261    H6     C  24           H6         C  24  -5.534 -11.774   5.672
  262   1H5*    U  25          1H5*        U  25 -10.156 -14.739   3.255
  263   2H5*    U  25          2H5*        U  25 -10.426 -16.486   3.400
  264    H4*    U  25           H4*        U  25 -10.558 -16.064   1.075
  265    H3*    U  25           H3*        U  25  -7.842 -17.115   1.923
  266    H2*    U  25           H2*        U  25  -7.068 -16.970  -0.305
  267   2HO*    U  25          2HO*        U  25  -8.960 -16.268  -1.881
  268    H1*    U  25           H1*        U  25  -8.289 -14.603  -1.001
  269    H3     U  25           H3         U  25  -3.997 -13.283  -0.897
  270    H5     U  25           H5         U  25  -4.748 -14.409   3.097
  271    H6     U  25           H6         U  25  -6.953 -15.144   2.405
  272   1H5*    C  26          1H5*        C  26  -9.467 -18.878  -1.534
  273   2H5*    C  26          2H5*        C  26  -9.277 -20.636  -1.684
  274    H4*    C  26           H4*        C  26  -8.522 -19.485  -3.731
  275    H3*    C  26           H3*        C  26  -6.472 -20.923  -2.016
  276    H2*    C  26           H2*        C  26  -4.777 -20.339  -3.559
  277   2HO*    C  26          2HO*        C  26  -5.205 -19.750  -5.656
  278    H1*    C  26           H1*        C  26  -5.622 -17.775  -4.098
  279   1H4     C  26          1H4         C  26  -1.013 -17.400   0.274
  280   2H4     C  26          2H4         C  26  -2.131 -17.873   1.535
  281    H5     C  26           H5         C  26  -4.393 -18.584   1.093
  282    H6     C  26           H6         C  26  -6.094 -18.904  -0.643
  283   1H5*    C  27          1H5*        C  27  -6.478 -21.588  -6.093
  284   2H5*    C  27          2H5*        C  27  -6.361 -23.247  -6.712
  285    H4*    C  27           H4*        C  27  -4.868 -21.772  -7.955
  286    H3*    C  27           H3*        C  27  -3.642 -23.848  -6.150
  287    H2*    C  27           H2*        C  27  -1.468 -23.173  -6.783
  288   2HO*    C  27          2HO*        C  27  -2.001 -22.880  -9.055
  289    H1*    C  27           H1*        C  27  -1.860 -20.510  -6.541
  290   1H4     C  27          1H4         C  27  -0.179 -22.583  -0.747
  291   2H4     C  27          2H4         C  27  -1.815 -23.132  -0.454
  292    H5     C  27           H5         C  27  -3.518 -23.172  -2.177
  293    H6     C  27           H6         C  27  -4.064 -22.533  -4.453
  294    H3T    C  27           H3T        C  27  -3.100 -24.622  -8.340
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   8.374 -18.430   2.569
    2   2H5*    G   1          2H5*        G   1   9.612 -19.361   1.702
    3    H4*    G   1           H4*        G   1   9.063 -18.214  -0.390
    4    H3*    G   1           H3*        G   1   7.675 -16.350   1.440
    5    H2*    G   1           H2*        G   1   5.534 -16.858   0.758
    6   2HO*    G   1          2HO*        G   1   6.384 -16.642  -1.944
    7    H1*    G   1           H1*        G   1   6.336 -18.651  -1.486
    8    H8     G   1           H8         G   1   5.256 -19.485   2.110
    9    H1     G   1           H1         G   1   0.686 -20.338  -2.257
   10   1H2     G   1          1H2         G   1   1.332 -19.349  -4.188
   11   2H2     G   1          2H2         G   1   3.043 -19.234  -4.532
   12    H5T    G   1           H5T        G   1  10.756 -17.462   1.365
   13   1H5*    G   2          1H5*        G   2   7.991 -15.167  -3.170
   14   2H5*    G   2          2H5*        G   2   8.174 -13.403  -3.255
   15    H4*    G   2           H4*        G   2   6.661 -14.077  -5.014
   16    H3*    G   2           H3*        G   2   5.371 -12.715  -2.625
   17    H2*    G   2           H2*        G   2   3.264 -12.884  -3.681
   18   2HO*    G   2          2HO*        G   2   4.848 -13.111  -5.999
   19    H1*    G   2           H1*        G   2   3.579 -15.399  -4.761
   20    H8     G   2           H8         G   2   4.829 -14.848  -1.176
   21    H1     G   2           H1         G   2  -1.334 -16.434  -1.560
   22   1H2     G   2          1H2         G   2  -1.906 -16.667  -3.712
   23   2H2     G   2          2H2         G   2  -0.938 -15.940  -4.974
   24   1H5*    A   3          1H5*        A   3   4.601 -10.840  -6.704
   25   2H5*    A   3          2H5*        A   3   4.380  -9.085  -6.554
   26    H4*    A   3           H4*        A   3   2.581 -10.119  -7.905
   27    H3*    A   3           H3*        A   3   1.854  -8.897  -5.212
   28    H2*    A   3           H2*        A   3  -0.433  -9.369  -5.688
   29   2HO*    A   3          2HO*        A   3  -0.496 -10.539  -8.031
   30    H1*    A   3           H1*        A   3  -0.053 -11.897  -6.628
   31    H8     A   3           H8         A   3   2.276 -10.950  -3.755
   32   1H6     A   3          1H6         A   3  -2.282 -12.548   0.064
   33   2H6     A   3          2H6         A   3  -0.598 -12.093  -0.043
   34    H2     A   3           H2         A   3  -3.859 -12.723  -4.140
   35   1H5*    G   4          1H5*        G   4  -0.816  -8.186  -8.018
   36   2H5*    G   4          2H5*        G   4  -0.880  -6.496  -8.551
   37    H4*    G   4           H4*        G   4  -3.134  -7.120  -8.574
   38    H3*    G   4           H3*        G   4  -2.473  -5.820  -5.893
   39    H2*    G   4           H2*        G   4  -4.774  -6.077  -5.293
   40   2HO*    G   4          2HO*        G   4  -5.888  -7.439  -7.236
   41    H1*    G   4           H1*        G   4  -4.893  -8.685  -5.876
   42    H8     G   4           H8         G   4  -1.346  -7.500  -5.050
   43    H1     G   4           H1         G   4  -4.806  -8.961   0.060
   44   1H2     G   4          1H2         G   4  -6.916  -9.332  -0.511
   45   2H2     G   4          2H2         G   4  -7.445  -9.313  -2.179
   46   1H5*    C   5          1H5*        C   5  -5.718  -4.176  -6.492
   47   2H5*    C   5          2H5*        C   5  -5.769  -2.402  -6.551
   48    H4*    C   5           H4*        C   5  -7.220  -3.045  -4.761
   49    H3*    C   5           H3*        C   5  -4.512  -1.989  -3.934
   50    H2*    C   5           H2*        C   5  -4.913  -2.452  -1.685
   51   2HO*    C   5          2HO*        C   5  -7.708  -2.659  -2.225
   52    H1*    C   5           H1*        C   5  -6.614  -4.664  -1.956
   53   1H4     C   5          1H4         C   5  -1.009  -6.590   0.381
   54   2H4     C   5          2H4         C   5  -0.338  -6.625  -1.234
   55    H5     C   5           H5         C   5  -1.413  -5.507  -3.098
   56    H6     C   5           H6         C   5  -3.518  -4.554  -3.910
   57   1H5*    G   6          1H5*        G   6  -7.871  -0.266  -1.562
   58   2H5*    G   6          2H5*        G   6  -7.752   1.499  -1.703
   59    H4*    G   6           H4*        G   6  -8.219   1.071   0.594
   60    H3*    G   6           H3*        G   6  -5.319   1.708  -0.001
   61    H2*    G   6           H2*        G   6  -4.729   1.388   2.256
   62   2HO*    G   6          2HO*        G   6  -7.333   1.116   3.237
   63    H1*    G   6           H1*        G   6  -6.426  -0.718   2.848
   64    H8     G   6           H8         G   6  -4.427  -0.703  -0.446
   65    H1     G   6           H1         G   6  -1.471  -3.588   4.411
   66   1H2     G   6          1H2         G   6  -2.578  -3.191   6.307
   67   2H2     G   6          2H2         G   6  -4.224  -2.602   6.288
   68   1H5*    G   7          1H5*        G   7  -6.404   3.307   3.499
   69   2H5*    G   7          2H5*        G   7  -6.032   5.030   3.716
   70    H4*    G   7           H4*        G   7  -5.083   3.871   5.591
   71    H3*    G   7           H3*        G   7  -3.146   4.814   3.477
   72    H2*    G   7           H2*        G   7  -1.334   3.765   4.520
   73   2HO*    G   7          2HO*        G   7  -1.292   4.360   6.574
   74    H1*    G   7           H1*        G   7  -2.640   1.577   5.650
   75    H8     G   7           H8         G   7  -2.740   2.834   1.979
   76    H1     G   7           H1         G   7   0.942  -2.274   2.978
   77   1H2     G   7          1H2         G   7   1.221  -2.483   5.273
   78   2H2     G   7          2H2         G   7  -0.254  -2.218   6.176
   79   1H5*    G   8          1H5*        G   8  -1.970   5.676   7.840
   80   2H5*    G   8          2H5*        G   8  -1.832   7.446   7.873
   81    H4*    G   8           H4*        G   8  -0.101   6.515   9.288
   82    H3*    G   8           H3*        G   8   0.644   7.878   6.728
   83    H2*    G   8           H2*        G   8   2.885   7.168   6.756
   84   2HO*    G   8          2HO*        G   8   2.452   6.516   9.509
   85    H1*    G   8           H1*        G   8   2.612   4.635   7.666
   86    H8     G   8           H8         G   8  -0.333   5.454   5.448
   87    H1     G   8           H1         G   8   4.917   3.975   2.140
   88   1H2     G   8          1H2         G   8   6.668   3.895   3.501
   89   2H2     G   8          2H2         G   8   6.536   4.170   5.222
   90   1H5*    G   9          1H5*        G   9   3.637   9.215   9.559
   91   2H5*    G   9          2H5*        G   9   3.653  10.990   9.600
   92    H4*    G   9           H4*        G   9   5.917  10.214   9.231
   93    H3*    G   9           H3*        G   9   4.476  11.549   6.938
   94    H2*    G   9           H2*        G   9   6.296  11.152   5.464
   95   2HO*    G   9          2HO*        G   9   7.846  10.200   7.657
   96    H1*    G   9           H1*        G   9   6.833   8.614   6.136
   97    H8     G   9           H8         G   9   3.116   9.508   6.380
   98    H1     G   9           H1         G   9   4.923   7.448   0.616
   99   1H2     G   9          1H2         G   9   7.185   7.572   0.492
  100   2H2     G   9          2H2         G   9   8.101   7.334   1.962
  101   1H5*    G  10          1H5*        G  10   8.102  12.505   6.473
  102   2H5*    G  10          2H5*        G  10   8.517  14.231   6.482
  103    H4*    G  10           H4*        G  10   9.419  13.501   4.446
  104    H3*    G  10           H3*        G  10   6.616  14.594   4.021
  105    H2*    G  10           H2*        G  10   6.814  14.128   1.710
  106   2HO*    G  10          2HO*        G  10   9.484  13.347   1.735
  107    H1*    G  10           H1*        G  10   8.212  11.746   1.923
  108    H8     G  10           H8         G  10   5.190  12.416   4.204
  109    H1     G  10           H1         G  10   3.709   9.524  -1.274
  110   1H2     G  10          1H2         G  10   5.492   9.426  -2.589
  111   2H2     G  10          2H2         G  10   7.035  10.112  -2.134
  112   1H5*    U  11          1H5*        U  11   8.775  15.845   0.954
  113   2H5*    U  11          2H5*        U  11   8.737  17.601   0.722
  114    H4*    U  11           H4*        U  11   8.110  16.672  -1.378
  115    H3*    U  11           H3*        U  11   5.822  17.738   0.284
  116    H2*    U  11           H2*        U  11   4.237  16.858  -1.156
  117   2HO*    U  11          2HO*        U  11   5.496  18.154  -2.884
  118    H1*    U  11           H1*        U  11   5.902  14.903  -2.477
  119    H3     U  11           H3         U  11   2.258  12.381  -1.803
  120    H5     U  11           H5         U  11   3.187  13.768   2.071
  121    H6     U  11           H6         U  11   4.968  15.103   1.093
  122   1H5*    G  12          1H5*        G  12   3.162  20.532  -0.463
  123   2H5*    G  12          2H5*        G  12   3.608  18.824  -0.275
  124    H4*    G  12           H4*        G  12   2.221  19.631  -2.810
  125    H3*    G  12           H3*        G  12   0.967  19.669  -0.051
  126    H2*    G  12           H2*        G  12  -0.940  18.526  -0.875
  127   2HO*    G  12          2HO*        G  12  -1.050  18.155  -3.262
  128    H1*    G  12           H1*        G  12   0.354  16.710  -2.450
  129    H8     G  12           H8         G  12   2.245  17.429   0.771
  130    H1     G  12           H1         G  12  -2.528  13.271   1.534
  131   1H2     G  12          1H2         G  12  -3.744  13.166  -0.316
  132   2H2     G  12          2H2         G  12  -3.333  14.062  -1.760
  133   1H5*    U  13          1H5*        U  13  -1.926  23.232  -1.666
  134   2H5*    U  13          2H5*        U  13  -2.441  23.648  -0.021
  135    H4*    U  13           H4*        U  13  -4.234  22.271  -0.109
  136    H3*    U  13           H3*        U  13  -2.246  20.292  -0.628
  137    H2*    U  13           H2*        U  13  -2.719  19.519  -2.749
  138   2HO*    U  13          2HO*        U  13  -5.508  19.824  -2.424
  139    H1*    U  13           H1*        U  13  -4.623  21.220  -3.817
  140    H3     U  13           H3         U  13  -1.739  23.034  -6.737
  141    H5     U  13           H5         U  13   0.764  21.707  -3.615
  142    H6     U  13           H6         U  13  -1.224  21.092  -2.373
  143   1H5*    A  14          1H5*        A  14  -6.449  17.506   0.521
  144   2H5*    A  14          2H5*        A  14  -5.788  15.893   0.182
  145    H4*    A  14           H4*        A  14  -7.862  16.940  -1.193
  146    H3*    A  14           H3*        A  14  -5.669  15.009  -1.966
  147    H2*    A  14           H2*        A  14  -6.248  15.102  -4.231
  148   2HO*    A  14          2HO*        A  14  -8.791  15.846  -3.216
  149    H1*    A  14           H1*        A  14  -7.190  17.729  -4.369
  150    H8     A  14           H8         A  14  -3.786  17.459  -2.739
  151   1H6     A  14          1H6         A  14  -1.420  18.044  -8.353
  152   2H6     A  14          2H6         A  14  -1.014  17.455  -6.757
  153    H2     A  14           H2         A  14  -5.846  17.214  -8.792
  154   1H5*    A  15          1H5*        A  15  -9.107  11.469  -3.669
  155   2H5*    A  15          2H5*        A  15  -7.637  10.592  -3.195
  156    H4*    A  15           H4*        A  15  -8.515  10.793  -5.766
  157    H3*    A  15           H3*        A  15  -5.842  10.303  -4.487
  158    H2*    A  15           H2*        A  15  -4.616  10.765  -6.454
  159   2HO*    A  15          2HO*        A  15  -6.864  11.092  -8.101
  160    H1*    A  15           H1*        A  15  -5.922  12.950  -7.310
  161    H8     A  15           H8         A  15  -5.769  12.413  -3.489
  162   1H6     A  15          1H6         A  15  -0.873  16.078  -3.557
  163   2H6     A  15          2H6         A  15  -1.607  14.792  -2.626
  164    H2     A  15           H2         A  15  -2.022  15.219  -7.844
  165   1H5*    A  16          1H5*        A  16  -5.161   8.907  -8.108
  166   2H5*    A  16          2H5*        A  16  -4.590   7.227  -8.072
  167    H4*    A  16           H4*        A  16  -2.960   8.684  -9.210
  168    H3*    A  16           H3*        A  16  -2.213   7.420  -6.556
  169    H2*    A  16           H2*        A  16  -0.077   8.443  -6.652
  170   2HO*    A  16          2HO*        A  16   0.167   9.745  -8.858
  171    H1*    A  16           H1*        A  16  -0.865  10.895  -7.578
  172    H8     A  16           H8         A  16  -3.244   9.314  -5.034
  173   1H6     A  16          1H6         A  16   0.292  11.835  -0.662
  174   2H6     A  16          2H6         A  16  -1.200  10.979  -0.980
  175    H2     A  16           H2         A  16   2.273  12.531  -4.633
  176   1H5*    C  17          1H5*        C  17   0.940   7.375  -9.119
  177   2H5*    C  17          2H5*        C  17   1.699   5.785  -9.329
  178    H4*    C  17           H4*        C  17   3.458   7.345  -8.820
  179    H3*    C  17           H3*        C  17   2.652   5.560  -6.494
  180    H2*    C  17           H2*        C  17   4.312   6.577  -5.171
  181   2HO*    C  17          2HO*        C  17   6.001   7.858  -6.193
  182    H1*    C  17           H1*        C  17   4.149   9.149  -6.263
  183   1H4     C  17          1H4         C  17   1.546   8.872  -0.409
  184   2H4     C  17          2H4         C  17  -0.011   9.036  -1.187
  185    H5     C  17           H5         C  17   0.053   7.363  -3.202
  186    H6     C  17           H6         C  17   1.195   7.113  -5.352
  187   1H5*    C  18          1H5*        C  18   6.978   5.711  -7.307
  188   2H5*    C  18          2H5*        C  18   7.577   4.047  -7.465
  189    H4*    C  18           H4*        C  18   9.200   5.149  -6.136
  190    H3*    C  18           H3*        C  18   7.248   3.508  -4.481
  191    H2*    C  18           H2*        C  18   8.413   4.151  -2.511
  192   2HO*    C  18          2HO*        C  18  10.536   3.973  -3.016
  193    H1*    C  18           H1*        C  18   8.745   6.788  -3.131
  194   1H4     C  18          1H4         C  18   3.313   6.604   0.149
  195   2H4     C  18          2H4         C  18   2.487   5.830  -1.184
  196    H5     C  18           H5         C  18   3.596   5.138  -3.204
  197    H6     C  18           H6         C  18   5.731   5.082  -4.404
  198   1H5*    U  19          1H5*        U  19  11.002   1.808  -3.267
  199   2H5*    U  19          2H5*        U  19  10.743   0.146  -2.703
  200    H4*    U  19           H4*        U  19  11.289   1.798  -0.872
  201    H3*    U  19           H3*        U  19   8.786   0.104  -0.922
  202    H2*    U  19           H2*        U  19   7.951   1.130   1.035
  203   2HO*    U  19          2HO*        U  19  10.674   1.744   1.430
  204    H1*    U  19           H1*        U  19   8.703   3.707   0.530
  205    H3     U  19           H3         U  19   4.206   3.717   0.140
  206    H5     U  19           H5         U  19   5.519   1.793  -3.371
  207    H6     U  19           H6         U  19   7.773   1.836  -2.471
  208   1H5*    A  20          1H5*        A  20   9.224  -3.869   1.607
  209   2H5*    A  20          2H5*        A  20   7.573  -3.244   1.788
  210    H4*    A  20           H4*        A  20  10.048  -2.615   3.359
  211    H3*    A  20           H3*        A  20   7.146  -3.244   3.899
  212    H2*    A  20           H2*        A  20   7.047  -1.776   5.739
  213   2HO*    A  20          2HO*        A  20   9.896  -1.904   5.649
  214    H1*    A  20           H1*        A  20   8.520   0.291   4.766
  215    H8     A  20           H8         A  20   6.392  -1.236   2.021
  216   1H6     A  20          2H6         A  20   2.252   2.561   3.172
  217   2H6     A  20          1H6         A  20   1.806   0.934   3.635
  218    H2     A  20           H2         A  20   5.150   2.623   6.973
  219   1H5*    U  21          1H5*        U  21   8.384  -4.054   7.656
  220   2H5*    U  21          2H5*        U  21   7.997  -5.722   8.125
  221    H4*    U  21           H4*        U  21   6.826  -4.326   9.668
  222    H3*    U  21           H3*        U  21   5.116  -5.510   7.472
  223    H2*    U  21           H2*        U  21   3.234  -4.317   8.188
  224   2HO*    U  21          2HO*        U  21   4.124  -4.988  10.551
  225    H1*    U  21           H1*        U  21   4.513  -2.050   9.245
  226    H3     U  21           H3         U  21   1.869  -0.144   6.160
  227    H5     U  21           H5         U  21   4.439  -2.569   3.862
  228    H6     U  21           H6         U  21   5.368  -3.430   5.932
  229   1H5*    C  22          1H5*        C  22   3.200  -6.342  11.348
  230   2H5*    C  22          2H5*        C  22   2.614  -8.016  11.403
  231    H4*    C  22           H4*        C  22   0.798  -6.454  11.957
  232    H3*    C  22           H3*        C  22   0.667  -8.031   9.375
  233    H2*    C  22           H2*        C  22  -1.347  -7.007   8.761
  234   2HO*    C  22          2HO*        C  22  -1.615  -6.757  11.531
  235    H1*    C  22           H1*        C  22  -0.845  -4.431   9.840
  236   1H4     C  22          1H4         C  22   0.025  -4.057   3.535
  237   2H4     C  22          2H4         C  22   1.579  -4.847   3.679
  238    H5     C  22           H5         C  22   2.360  -5.850   5.726
  239    H6     C  22           H6         C  22   1.904  -6.154   8.115
  240   1H5*    G  23          1H5*        G  23  -3.130  -8.182  11.159
  241   2H5*    G  23          2H5*        G  23  -3.867  -9.793  11.051
  242    H4*    G  23           H4*        G  23  -5.313  -8.091  10.001
  243    H3*    G  23           H3*        G  23  -3.997 -10.167   8.209
  244    H2*    G  23           H2*        G  23  -5.119  -9.236   6.360
  245   2HO*    G  23          2HO*        G  23  -6.965  -7.958   6.579
  246    H1*    G  23           H1*        G  23  -5.024  -6.567   7.165
  247    H8     G  23           H8         G  23  -1.785  -8.603   7.338
  248    H1     G  23           H1         G  23  -2.930  -6.065   1.603
  249   1H2     G  23          1H2         G  23  -4.884  -4.978   1.648
  250   2H2     G  23          2H2         G  23  -6.062  -5.302   2.899
  251   1H5*    C  24          1H5*        C  24  -8.440  -9.798   7.611
  252   2H5*    C  24          2H5*        C  24  -9.075 -11.441   7.828
  253    H4*    C  24           H4*        C  24 -10.254 -10.643   5.953
  254    H3*    C  24           H3*        C  24  -7.849 -12.303   5.150
  255    H2*    C  24           H2*        C  24  -8.296 -11.899   2.864
  256   2HO*    C  24          2HO*        C  24 -10.882 -11.496   3.832
  257    H1*    C  24           H1*        C  24  -9.033  -9.266   3.049
  258   1H4     C  24          1H4         C  24  -2.876  -9.329   1.427
  259   2H4     C  24          2H4         C  24  -2.423  -9.559   3.101
  260    H5     C  24           H5         C  24  -4.018 -10.409   4.729
  261    H6     C  24           H6         C  24  -6.403 -10.606   5.266
  262   1H5*    U  25          1H5*        U  25 -10.942 -13.120   2.440
  263   2H5*    U  25          2H5*        U  25 -11.390 -14.830   2.599
  264    H4*    U  25           H4*        U  25 -11.215 -14.517   0.270
  265    H3*    U  25           H3*        U  25  -8.673 -15.683   1.446
  266    H2*    U  25           H2*        U  25  -7.661 -15.675  -0.689
  267   2HO*    U  25          2HO*        U  25 -10.241 -15.132  -1.800
  268    H1*    U  25           H1*        U  25  -8.650 -13.270  -1.589
  269    H3     U  25           H3         U  25  -4.319 -12.213  -1.058
  270    H5     U  25           H5         U  25  -5.561 -13.137   2.862
  271    H6     U  25           H6         U  25  -7.721 -13.773   1.956
  272   1H5*    C  26          1H5*        C  26  -9.965 -17.277  -2.062
  273   2H5*    C  26          2H5*        C  26 -10.025 -19.042  -2.236
  274    H4*    C  26           H4*        C  26  -8.930 -18.090  -4.187
  275    H3*    C  26           H3*        C  26  -7.190 -19.617  -2.229
  276    H2*    C  26           H2*        C  26  -5.289 -19.209  -3.569
  277   2HO*    C  26          2HO*        C  26  -7.135 -18.448  -5.620
  278    H1*    C  26           H1*        C  26  -5.883 -16.623  -4.329
  279   1H4     C  26          1H4         C  26  -1.747 -16.224   0.491
  280   2H4     C  26          2H4         C  26  -3.012 -16.584   1.644
  281    H5     C  26           H5         C  26  -5.214 -17.321   0.988
  282    H6     C  26           H6         C  26  -6.739 -17.654  -0.902
  283   1H5*    C  27          1H5*        C  27  -6.854 -20.571  -6.380
  284   2H5*    C  27          2H5*        C  27  -6.771 -22.298  -6.784
  285    H4*    C  27           H4*        C  27  -5.068 -21.042  -8.010
  286    H3*    C  27           H3*        C  27  -4.185 -22.978  -5.880
  287    H2*    C  27           H2*        C  27  -1.915 -22.495  -6.308
  288   2HO*    C  27          2HO*        C  27  -1.710 -20.745  -8.158
  289    H1*    C  27           H1*        C  27  -2.146 -19.803  -6.388
  290   1H4     C  27          1H4         C  27  -1.323 -21.186  -0.225
  291   2H4     C  27          2H4         C  27  -2.954 -21.810  -0.119
  292    H5     C  27           H5         C  27  -4.472 -21.859  -2.003
  293    H6     C  27           H6         C  27  -4.705 -21.458  -4.383
  294    H3T    C  27           H3T        C  27  -3.632 -24.145  -7.763
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   9.086 -18.360   0.863
    2   2H5*    G   1          2H5*        G   1  10.013 -19.381  -0.256
    3    H4*    G   1           H4*        G   1   9.645 -17.615  -2.033
    4    H3*    G   1           H3*        G   1   8.394 -16.243   0.266
    5    H2*    G   1           H2*        G   1   6.210 -16.496  -0.429
    6   2HO*    G   1          2HO*        G   1   7.198 -15.461  -2.904
    7    H1*    G   1           H1*        G   1   6.861 -17.670  -3.091
    8    H8     G   1           H8         G   1   5.867 -19.353   0.227
    9    H1     G   1           H1         G   1   1.167 -19.058  -4.075
   10   1H2     G   1          1H2         G   1   1.831 -17.890  -5.841
   11   2H2     G   1          2H2         G   1   3.425 -17.178  -5.953
   12    H5T    G   1           H5T        G   1  10.992 -17.561   1.236
   13   1H5*    G   2          1H5*        G   2   8.558 -14.093  -3.992
   14   2H5*    G   2          2H5*        G   2   8.575 -12.335  -3.748
   15    H4*    G   2           H4*        G   2   7.074 -12.883  -5.592
   16    H3*    G   2           H3*        G   2   5.781 -11.940  -3.008
   17    H2*    G   2           H2*        G   2   3.666 -12.076  -4.045
   18   2HO*    G   2          2HO*        G   2   3.412 -12.112  -6.280
   19    H1*    G   2           H1*        G   2   4.129 -14.359  -5.548
   20    H8     G   2           H8         G   2   5.289 -14.459  -1.909
   21    H1     G   2           H1         G   2  -0.851 -15.981  -2.686
   22   1H2     G   2          1H2         G   2  -1.389 -15.805  -4.852
   23   2H2     G   2          2H2         G   2  -0.415 -14.838  -5.935
   24   1H5*    A   3          1H5*        A   3   4.892  -9.435  -6.783
   25   2H5*    A   3          2H5*        A   3   4.647  -7.742  -6.319
   26    H4*    A   3           H4*        A   3   2.867  -8.512  -7.844
   27    H3*    A   3           H3*        A   3   2.127  -7.838  -4.975
   28    H2*    A   3           H2*        A   3  -0.153  -8.286  -5.494
   29   2HO*    A   3          2HO*        A   3  -0.477  -8.925  -7.904
   30    H1*    A   3           H1*        A   3   0.258 -10.574  -6.906
   31    H8     A   3           H8         A   3   2.659 -10.162  -3.972
   32   1H6     A   3          1H6         A   3  -1.666 -12.782  -0.477
   33   2H6     A   3          2H6         A   3  -0.112 -11.980  -0.450
   34    H2     A   3           H2         A   3  -3.461 -11.945  -4.518
   35   1H5*    G   4          1H5*        G   4  -0.544  -6.730  -7.617
   36   2H5*    G   4          2H5*        G   4  -0.671  -4.981  -7.880
   37    H4*    G   4           H4*        G   4  -2.895  -5.693  -8.050
   38    H3*    G   4           H3*        G   4  -2.299  -4.732  -5.224
   39    H2*    G   4           H2*        G   4  -4.554  -5.222  -4.613
   40   2HO*    G   4          2HO*        G   4  -5.163  -6.169  -7.214
   41    H1*    G   4           H1*        G   4  -4.552  -7.726  -5.531
   42    H8     G   4           H8         G   4  -1.035  -6.455  -4.704
   43    H1     G   4           H1         G   4  -4.136  -8.830   0.296
   44   1H2     G   4          1H2         G   4  -6.246  -9.264  -0.236
   45   2H2     G   4          2H2         G   4  -6.881  -8.971  -1.839
   46   1H5*    C   5          1H5*        C   5  -5.567  -3.478  -5.626
   47   2H5*    C   5          2H5*        C   5  -5.964  -1.748  -5.566
   48    H4*    C   5           H4*        C   5  -7.284  -2.724  -3.854
   49    H3*    C   5           H3*        C   5  -4.781  -1.343  -2.905
   50    H2*    C   5           H2*        C   5  -4.963  -2.162  -0.743
   51   2HO*    C   5          2HO*        C   5  -7.764  -2.360  -1.277
   52    H1*    C   5           H1*        C   5  -6.476  -4.502  -1.218
   53   1H4     C   5          1H4         C   5  -0.750  -6.244   0.940
   54   2H4     C   5          2H4         C   5  -0.031  -5.889  -0.616
   55    H5     C   5           H5         C   5  -1.241  -4.851  -2.422
   56    H6     C   5           H6         C   5  -3.420  -3.995  -3.152
   57   1H5*    G   6          1H5*        G   6  -8.326  -0.634  -0.250
   58   2H5*    G   6          2H5*        G   6  -8.574   1.123  -0.263
   59    H4*    G   6           H4*        G   6  -8.899   0.543   1.996
   60    H3*    G   6           H3*        G   6  -6.083   1.529   1.466
   61    H2*    G   6           H2*        G   6  -5.483   1.138   3.715
   62   2HO*    G   6          2HO*        G   6  -8.114   0.529   4.529
   63    H1*    G   6           H1*        G   6  -6.883  -1.203   4.114
   64    H8     G   6           H8         G   6  -4.925  -0.625   0.840
   65    H1     G   6           H1         G   6  -1.615  -3.589   5.413
   66   1H2     G   6          1H2         G   6  -2.796  -3.629   7.297
   67   2H2     G   6          2H2         G   6  -4.446  -3.056   7.377
   68   1H5*    G   7          1H5*        G   7  -7.284   3.291   5.066
   69   2H5*    G   7          2H5*        G   7  -7.081   5.053   5.006
   70    H4*    G   7           H4*        G   7  -5.913   4.427   6.958
   71    H3*    G   7           H3*        G   7  -4.077   4.740   4.570
   72    H2*    G   7           H2*        G   7  -2.264   3.930   5.772
   73   2HO*    G   7          2HO*        G   7  -1.868   4.950   7.569
   74    H1*    G   7           H1*        G   7  -3.718   2.489   7.790
   75    H8     G   7           H8         G   7  -3.356   1.929   3.966
   76    H1     G   7           H1         G   7   0.009  -2.080   7.608
   77   1H2     G   7          1H2         G   7  -0.276  -1.580   9.751
   78   2H2     G   7          2H2         G   7  -1.234  -0.214  10.276
   79   1H5*    G   8          1H5*        G   8  -2.719   6.725   8.412
   80   2H5*    G   8          2H5*        G   8  -2.559   8.440   7.984
   81    H4*    G   8           H4*        G   8  -0.772   7.842   9.518
   82    H3*    G   8           H3*        G   8  -0.107   8.495   6.660
   83    H2*    G   8           H2*        G   8   2.156   7.849   6.878
   84   2HO*    G   8          2HO*        G   8   2.002   7.369   9.645
   85    H1*    G   8           H1*        G   8   1.856   5.587   8.306
   86    H8     G   8           H8         G   8  -1.164   5.790   6.098
   87    H1     G   8           H1         G   8   4.037   3.963   2.892
   88   1H2     G   8          1H2         G   8   5.840   4.227   4.161
   89   2H2     G   8          2H2         G   8   5.775   4.984   5.736
   90   1H5*    G   9          1H5*        G   9   2.894  10.453   9.068
   91   2H5*    G   9          2H5*        G   9   3.074  12.152   8.583
   92    H4*    G   9           H4*        G   9   5.249  11.015   8.544
   93    H3*    G   9           H3*        G   9   3.999  12.012   5.985
   94    H2*    G   9           H2*        G   9   5.723  11.057   4.659
   95   2HO*    G   9          2HO*        G   9   7.591  10.082   5.790
   96    H1*    G   9           H1*        G   9   5.908   8.672   5.843
   97    H8     G   9           H8         G   9   2.337  10.011   5.964
   98    H1     G   9           H1         G   9   3.723   6.847   0.604
   99   1H2     G   9          1H2         G   9   5.882   6.265   0.619
  100   2H2     G   9          2H2         G   9   7.019   7.090   1.660
  101   1H5*    G  10          1H5*        G  10   7.769  12.278   5.546
  102   2H5*    G  10          2H5*        G  10   8.479  13.818   5.022
  103    H4*    G  10           H4*        G  10   9.174  12.201   3.409
  104    H3*    G  10           H3*        G  10   6.862  13.938   2.490
  105    H2*    G  10           H2*        G  10   6.830  12.803   0.423
  106   2HO*    G  10          2HO*        G  10   8.591  11.666  -0.362
  107    H1*    G  10           H1*        G  10   7.454  10.262   1.358
  108    H8     G  10           H8         G  10   4.792  12.274   3.245
  109    H1     G  10           H1         G  10   2.468   8.784  -1.549
  110   1H2     G  10          1H2         G  10   4.133   7.860  -2.691
  111   2H2     G  10          2H2         G  10   5.809   8.249  -2.379
  112   1H5*    U  11          1H5*        U  11   9.062  13.684  -0.679
  113   2H5*    U  11          2H5*        U  11   9.648  15.242  -1.291
  114    H4*    U  11           H4*        U  11   8.590  14.314  -3.170
  115    H3*    U  11           H3*        U  11   6.765  16.181  -1.642
  116    H2*    U  11           H2*        U  11   4.935  15.588  -2.943
  117   2HO*    U  11          2HO*        U  11   5.892  16.272  -4.893
  118    H1*    U  11           H1*        U  11   5.892  13.046  -3.884
  119    H3     U  11           H3         U  11   1.773  11.820  -2.622
  120    H5     U  11           H5         U  11   3.332  13.624   0.858
  121    H6     U  11           H6         U  11   5.337  14.167  -0.404
  122   1H5*    G  12          1H5*        G  12   5.111  19.500  -2.216
  123   2H5*    G  12          2H5*        G  12   5.266  17.754  -1.937
  124    H4*    G  12           H4*        G  12   3.688  18.654  -4.323
  125    H3*    G  12           H3*        G  12   2.882  19.074  -1.431
  126    H2*    G  12           H2*        G  12   0.698  18.277  -1.906
  127   2HO*    G  12          2HO*        G  12   1.104  17.911  -4.647
  128    H1*    G  12           H1*        G  12   1.407  16.152  -3.458
  129    H8     G  12           H8         G  12   3.834  16.779  -0.584
  130    H1     G  12           H1         G  12  -1.348  13.497   1.157
  131   1H2     G  12          1H2         G  12  -2.811  13.449  -0.510
  132   2H2     G  12          2H2         G  12  -2.475  14.158  -2.074
  133   1H5*    U  13          1H5*        U  13   0.379  22.955  -3.098
  134   2H5*    U  13          2H5*        U  13   0.079  23.573  -1.463
  135    H4*    U  13           H4*        U  13  -1.929  22.538  -1.310
  136    H3*    U  13           H3*        U  13  -0.370  20.206  -1.828
  137    H2*    U  13           H2*        U  13  -1.156  19.404  -3.845
  138   2HO*    U  13          2HO*        U  13  -3.634  19.715  -4.119
  139    H1*    U  13           H1*        U  13  -2.799  21.360  -4.898
  140    H3     U  13           H3         U  13   0.128  22.424  -8.134
  141    H5     U  13           H5         U  13   2.582  20.827  -5.104
  142    H6     U  13           H6         U  13   0.624  20.686  -3.684
  143   1H5*    A  14          1H5*        A  14  -4.599  18.067   0.213
  144   2H5*    A  14          2H5*        A  14  -4.222  16.379  -0.184
  145    H4*    A  14           H4*        A  14  -6.261  17.822  -1.316
  146    H3*    A  14           H3*        A  14  -4.675  15.396  -2.155
  147    H2*    A  14           H2*        A  14  -5.430  15.507  -4.355
  148   2HO*    A  14          2HO*        A  14  -7.723  16.384  -3.077
  149    H1*    A  14           H1*        A  14  -6.003  18.275  -4.520
  150    H8     A  14           H8         A  14  -2.425  17.626  -3.606
  151   1H6     A  14          1H6         A  14  -1.046  17.782  -9.232
  152   2H6     A  14          2H6         A  14  -0.765  16.266  -8.407
  153    H2     A  14           H2         A  14  -5.722  17.030  -9.059
  154   1H5*    A  15          1H5*        A  15  -8.765  12.644  -2.910
  155   2H5*    A  15          2H5*        A  15  -7.578  11.363  -2.591
  156    H4*    A  15           H4*        A  15  -8.710  11.696  -5.003
  157    H3*    A  15           H3*        A  15  -6.046  10.658  -4.106
  158    H2*    A  15           H2*        A  15  -5.049  10.799  -6.240
  159   2HO*    A  15          2HO*        A  15  -6.192  10.419  -7.990
  160    H1*    A  15           H1*        A  15  -6.014  13.169  -7.075
  161    H8     A  15           H8         A  15  -5.326  12.714  -3.303
  162   1H6     A  15          1H6         A  15   0.127  15.338  -4.378
  163   2H6     A  15          2H6         A  15  -0.836  14.500  -3.184
  164    H2     A  15           H2         A  15  -1.927  14.719  -8.338
  165   1H5*    A  16          1H5*        A  16  -6.427   8.570  -7.459
  166   2H5*    A  16          2H5*        A  16  -6.396   6.815  -7.193
  167    H4*    A  16           H4*        A  16  -4.639   7.279  -8.744
  168    H3*    A  16           H3*        A  16  -3.760   6.747  -5.900
  169    H2*    A  16           H2*        A  16  -1.489   7.164  -6.452
  170   2HO*    A  16          2HO*        A  16  -0.729   7.120  -8.523
  171    H1*    A  16           H1*        A  16  -1.846   9.393  -7.939
  172    H8     A  16           H8         A  16  -4.385   9.046  -5.095
  173   1H6     A  16          1H6         A  16  -0.226  11.707  -1.438
  174   2H6     A  16          2H6         A  16  -1.940  11.429  -1.656
  175    H2     A  16           H2         A  16   1.668  11.094  -5.479
  176   1H5*    C  17          1H5*        C  17  -1.175   5.333  -8.444
  177   2H5*    C  17          2H5*        C  17  -0.587   3.668  -8.262
  178    H4*    C  17           H4*        C  17   1.339   5.121  -8.339
  179    H3*    C  17           H3*        C  17   0.645   4.069  -5.570
  180    H2*    C  17           H2*        C  17   2.554   5.173  -4.724
  181   2HO*    C  17          2HO*        C  17   3.796   6.187  -6.839
  182    H1*    C  17           H1*        C  17   2.406   7.439  -6.326
  183   1H4     C  17          1H4         C  17   0.348   8.675  -0.399
  184   2H4     C  17          2H4         C  17  -1.293   8.564  -0.995
  185    H5     C  17           H5         C  17  -1.551   6.707  -2.708
  186    H6     C  17           H6         C  17  -0.627   5.940  -4.841
  187   1H5*    C  18          1H5*        C  18   4.747   3.643  -6.789
  188   2H5*    C  18          2H5*        C  18   5.236   1.938  -6.737
  189    H4*    C  18           H4*        C  18   7.118   3.106  -5.915
  190    H3*    C  18           H3*        C  18   5.402   1.953  -3.696
  191    H2*    C  18           H2*        C  18   6.854   2.905  -2.064
  192   2HO*    C  18          2HO*        C  18   8.903   2.716  -2.641
  193    H1*    C  18           H1*        C  18   7.125   5.350  -3.181
  194   1H4     C  18          1H4         C  18   1.990   5.896   0.536
  195   2H4     C  18          2H4         C  18   0.985   5.265  -0.749
  196    H5     C  18           H5         C  18   1.928   4.001  -2.595
  197    H6     C  18           H6         C  18   3.964   3.595  -3.895
  198   1H5*    U  19          1H5*        U  19   9.256   0.603  -2.899
  199   2H5*    U  19          2H5*        U  19   9.358  -0.854  -1.889
  200    H4*    U  19           H4*        U  19   9.957   1.283  -0.689
  201    H3*    U  19           H3*        U  19   7.770  -0.599   0.203
  202    H2*    U  19           H2*        U  19   7.097   0.842   1.938
  203   2HO*    U  19          2HO*        U  19   9.200   2.662   1.703
  204    H1*    U  19           H1*        U  19   7.474   3.266   0.696
  205    H3     U  19           H3         U  19   3.013   2.810   1.407
  206    H5     U  19           H5         U  19   3.797   0.472  -2.010
  207    H6     U  19           H6         U  19   6.165   0.817  -1.622
  208   1H5*    A  20          1H5*        A  20   8.193  -2.990   3.801
  209   2H5*    A  20          2H5*        A  20   7.817  -1.477   2.951
  210    H4*    A  20           H4*        A  20   9.727  -1.187   5.202
  211    H3*    A  20           H3*        A  20   6.970  -2.365   5.590
  212    H2*    A  20           H2*        A  20   6.471  -0.854   7.319
  213   2HO*    A  20          2HO*        A  20   9.274  -0.753   7.552
  214    H1*    A  20           H1*        A  20   7.758   1.387   6.348
  215    H8     A  20           H8         A  20   5.765  -0.516   3.720
  216   1H6     A  20          1H6         A  20   0.828   2.637   5.582
  217   2H6     A  20          2H6         A  20   1.528   1.771   4.233
  218    H2     A  20           H2         A  20   4.233   3.604   8.369
  219   1H5*    U  21          1H5*        U  21   8.058  -2.906   9.394
  220   2H5*    U  21          2H5*        U  21   8.109  -4.618   9.866
  221    H4*    U  21           H4*        U  21   6.497  -3.735  11.323
  222    H3*    U  21           H3*        U  21   5.210  -4.934   8.856
  223    H2*    U  21           H2*        U  21   3.081  -4.255   9.588
  224   2HO*    U  21          2HO*        U  21   3.045  -3.384  11.933
  225    H1*    U  21           H1*        U  21   3.799  -1.860  10.815
  226    H3     U  21           H3         U  21   1.376  -0.048   7.530
  227    H5     U  21           H5         U  21   4.163  -2.407   5.421
  228    H6     U  21           H6         U  21   5.036  -3.164   7.556
  229   1H5*    C  22          1H5*        C  22   3.224  -6.537  12.410
  230   2H5*    C  22          2H5*        C  22   2.922  -8.279  12.234
  231    H4*    C  22           H4*        C  22   0.838  -7.083  12.777
  232    H3*    C  22           H3*        C  22   1.151  -8.366  10.049
  233    H2*    C  22           H2*        C  22  -0.973  -7.629   9.394
  234   2HO*    C  22          2HO*        C  22  -2.610  -7.379  10.796
  235    H1*    C  22           H1*        C  22  -0.993  -5.158  10.805
  236   1H4     C  22          1H4         C  22   0.023  -3.738   4.683
  237   2H4     C  22          2H4         C  22   1.588  -4.519   4.717
  238    H5     C  22           H5         C  22   2.501  -5.554   6.693
  239    H6     C  22           H6         C  22   2.042  -6.216   9.007
  240   1H5*    G  23          1H5*        G  23  -2.606  -9.188  11.544
  241   2H5*    G  23          2H5*        G  23  -3.165 -10.846  11.247
  242    H4*    G  23           H4*        G  23  -4.736  -9.192  10.301
  243    H3*    G  23           H3*        G  23  -3.170 -10.969   8.397
  244    H2*    G  23           H2*        G  23  -4.251  -9.956   6.577
  245   2HO*    G  23          2HO*        G  23  -6.244  -8.852   6.821
  246    H1*    G  23           H1*        G  23  -4.568  -7.391   7.688
  247    H8     G  23           H8         G  23  -1.088  -8.987   7.684
  248    H1     G  23           H1         G  23  -2.531  -5.930   2.277
  249   1H2     G  23          1H2         G  23  -4.634  -5.223   2.353
  250   2H2     G  23          2H2         G  23  -5.718  -5.649   3.657
  251   1H5*    C  24          1H5*        C  24  -7.647 -10.919   7.738
  252   2H5*    C  24          2H5*        C  24  -8.150 -12.620   7.703
  253    H4*    C  24           H4*        C  24  -9.360 -11.668   5.927
  254    H3*    C  24           H3*        C  24  -6.802 -12.969   4.954
  255    H2*    C  24           H2*        C  24  -7.265 -12.286   2.742
  256   2HO*    C  24          2HO*        C  24  -9.774 -11.196   3.166
  257    H1*    C  24           H1*        C  24  -8.284  -9.791   3.290
  258   1H4     C  24          1H4         C  24  -2.187  -8.921   1.710
  259   2H4     C  24          2H4         C  24  -1.670  -9.471   3.288
  260    H5     C  24           H5         C  24  -3.156 -10.668   4.785
  261    H6     C  24           H6         C  24  -5.502 -11.176   5.287
  262   1H5*    U  25          1H5*        U  25 -10.064 -13.635   2.350
  263   2H5*    U  25          2H5*        U  25 -10.347 -15.373   2.122
  264    H4*    U  25           H4*        U  25 -10.469 -14.394  -0.055
  265    H3*    U  25           H3*        U  25  -7.869 -15.832   0.542
  266    H2*    U  25           H2*        U  25  -7.029 -15.267  -1.594
  267   2HO*    U  25          2HO*        U  25  -8.426 -14.453  -3.243
  268    H1*    U  25           H1*        U  25  -8.010 -12.706  -1.748
  269    H3     U  25           H3         U  25  -3.615 -11.900  -1.297
  270    H5     U  25           H5         U  25  -4.657 -13.660   2.391
  271    H6     U  25           H6         U  25  -6.882 -14.038   1.505
  272   1H5*    C  26          1H5*        C  26  -9.430 -16.648  -3.264
  273   2H5*    C  26          2H5*        C  26  -9.361 -18.347  -3.775
  274    H4*    C  26           H4*        C  26  -8.373 -16.880  -5.487
  275    H3*    C  26           H3*        C  26  -6.593 -18.820  -3.985
  276    H2*    C  26           H2*        C  26  -4.699 -18.064  -5.175
  277   2HO*    C  26          2HO*        C  26  -6.587 -17.548  -7.091
  278    H1*    C  26           H1*        C  26  -5.307 -15.381  -5.259
  279   1H4     C  26          1H4         C  26  -1.224 -16.254  -0.450
  280   2H4     C  26          2H4         C  26  -2.537 -16.745   0.596
  281    H5     C  26           H5         C  26  -4.716 -17.353  -0.266
  282    H6     C  26           H6         C  26  -6.215 -17.210  -2.199
  283   1H5*    C  27          1H5*        C  27  -6.349 -18.928  -8.410
  284   2H5*    C  27          2H5*        C  27  -5.936 -20.524  -9.069
  285    H4*    C  27           H4*        C  27  -4.461 -18.673  -9.884
  286    H3*    C  27           H3*        C  27  -3.384 -21.043  -8.374
  287    H2*    C  27           H2*        C  27  -1.180 -20.222  -8.541
  288   2HO*    C  27          2HO*        C  27  -2.219 -18.900 -10.723
  289    H1*    C  27           H1*        C  27  -1.712 -17.658  -7.863
  290   1H4     C  27          1H4         C  27  -0.738 -20.732  -2.364
  291   2H4     C  27          2H4         C  27  -2.376 -21.343  -2.400
  292    H5     C  27           H5         C  27  -3.837 -21.080  -4.316
  293    H6     C  27           H6         C  27  -4.094 -20.050  -6.496
  294    H3T    C  27           H3T        C  27  -2.411 -20.983 -10.736
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   8.953 -18.306   2.241
    2   2H5*    G   1          2H5*        G   1  10.115 -19.142   1.190
    3    H4*    G   1           H4*        G   1   9.450 -17.668  -0.697
    4    H3*    G   1           H3*        G   1   8.062 -16.221   1.471
    5    H2*    G   1           H2*        G   1   5.917 -16.776   0.839
    6   2HO*    G   1          2HO*        G   1   6.913 -15.652  -1.568
    7    H1*    G   1           H1*        G   1   6.673 -18.129  -1.706
    8    H8     G   1           H8         G   1   5.913 -19.598   1.766
    9    H1     G   1           H1         G   1   1.116 -20.132  -2.402
   10   1H2     G   1          1H2         G   1   1.639 -19.094  -4.293
   11   2H2     G   1          2H2         G   1   3.112 -18.170  -4.479
   12    H5T    G   1           H5T        G   1  11.040 -16.969   0.866
   13   1H5*    G   2          1H5*        G   2   8.199 -14.367  -2.952
   14   2H5*    G   2          2H5*        G   2   8.112 -12.599  -2.813
   15    H4*    G   2           H4*        G   2   6.755 -13.356  -4.705
   16    H3*    G   2           H3*        G   2   5.301 -12.258  -2.275
   17    H2*    G   2           H2*        G   2   3.241 -12.564  -3.381
   18   2HO*    G   2          2HO*        G   2   4.848 -12.665  -5.727
   19    H1*    G   2           H1*        G   2   3.830 -14.953  -4.641
   20    H8     G   2           H8         G   2   4.916 -14.698  -0.989
   21    H1     G   2           H1         G   2  -1.162 -16.470  -1.729
   22   1H2     G   2          1H2         G   2  -1.581 -16.636  -3.972
   23   2H2     G   2          2H2         G   2  -0.775 -15.474  -5.002
   24   1H5*    A   3          1H5*        A   3   4.527 -10.138  -6.291
   25   2H5*    A   3          2H5*        A   3   4.149  -8.428  -6.009
   26    H4*    A   3           H4*        A   3   2.520  -9.476  -7.546
   27    H3*    A   3           H3*        A   3   1.582  -8.520  -4.820
   28    H2*    A   3           H2*        A   3  -0.638  -9.190  -5.375
   29   2HO*    A   3          2HO*        A   3   0.380  -9.483  -8.034
   30    H1*    A   3           H1*        A   3  -0.021 -11.603  -6.437
   31    H8     A   3           H8         A   3   2.265 -10.627  -3.542
   32   1H6     A   3          1H6         A   3  -1.864 -13.200   0.167
   33   2H6     A   3          2H6         A   3  -0.558 -12.037   0.165
   34    H2     A   3           H2         A   3  -3.698 -12.913  -3.952
   35   1H5*    G   4          1H5*        G   4  -1.004  -7.931  -7.668
   36   2H5*    G   4          2H5*        G   4  -1.299  -6.251  -8.149
   37    H4*    G   4           H4*        G   4  -3.436  -7.201  -8.260
   38    H3*    G   4           H3*        G   4  -3.021  -5.860  -5.555
   39    H2*    G   4           H2*        G   4  -5.232  -6.508  -4.935
   40   2HO*    G   4          2HO*        G   4  -6.502  -7.744  -6.545
   41    H1*    G   4           H1*        G   4  -4.950  -9.084  -5.555
   42    H8     G   4           H8         G   4  -1.616  -7.348  -4.795
   43    H1     G   4           H1         G   4  -4.624  -9.503   0.358
   44   1H2     G   4          1H2         G   4  -6.685 -10.141  -0.163
   45   2H2     G   4          2H2         G   4  -7.208 -10.291  -1.826
   46   1H5*    C   5          1H5*        C   5  -6.481  -4.756  -6.016
   47   2H5*    C   5          2H5*        C   5  -6.795  -3.010  -6.086
   48    H4*    C   5           H4*        C   5  -8.057  -3.790  -4.226
   49    H3*    C   5           H3*        C   5  -5.431  -2.480  -3.476
   50    H2*    C   5           H2*        C   5  -5.772  -2.955  -1.209
   51   2HO*    C   5          2HO*        C   5  -7.696  -2.684  -0.378
   52    H1*    C   5           H1*        C   5  -7.143  -5.372  -1.468
   53   1H4     C   5          1H4         C   5  -1.267  -6.682   0.575
   54   2H4     C   5          2H4         C   5  -0.607  -6.352  -1.010
   55    H5     C   5           H5         C   5  -1.906  -5.399  -2.806
   56    H6     C   5           H6         C   5  -4.155  -4.737  -3.523
   57   1H5*    G   6          1H5*        G   6  -8.612  -1.161  -0.836
   58   2H5*    G   6          2H5*        G   6  -8.775   0.594  -1.054
   59    H4*    G   6           H4*        G   6  -8.890   0.332   1.280
   60    H3*    G   6           H3*        G   6  -6.083   1.021   0.369
   61    H2*    G   6           H2*        G   6  -5.299   0.881   2.589
   62   2HO*    G   6          2HO*        G   6  -7.973   0.749   3.565
   63    H1*    G   6           H1*        G   6  -6.855  -1.248   3.438
   64    H8     G   6           H8         G   6  -5.062  -1.279   0.020
   65    H1     G   6           H1         G   6  -1.736  -3.932   4.770
   66   1H2     G   6          1H2         G   6  -2.751  -3.520   6.714
   67   2H2     G   6          2H2         G   6  -4.424  -3.011   6.769
   68   1H5*    G   7          1H5*        G   7  -7.070   2.917   3.856
   69   2H5*    G   7          2H5*        G   7  -6.806   4.672   3.846
   70    H4*    G   7           H4*        G   7  -5.743   3.868   5.826
   71    H3*    G   7           H3*        G   7  -3.860   4.476   3.539
   72    H2*    G   7           H2*        G   7  -2.043   3.598   4.688
   73   2HO*    G   7          2HO*        G   7  -3.303   3.875   7.212
   74    H1*    G   7           H1*        G   7  -3.470   1.914   6.520
   75    H8     G   7           H8         G   7  -3.128   1.723   2.665
   76    H1     G   7           H1         G   7   0.473  -2.439   5.884
   77   1H2     G   7          1H2         G   7   0.548  -1.564   8.151
   78   2H2     G   7          2H2         G   7  -1.128  -1.453   8.640
   79   1H5*    G   8          1H5*        G   8  -2.743   5.837   7.493
   80   2H5*    G   8          2H5*        G   8  -2.555   7.601   7.518
   81    H4*    G   8           H4*        G   8  -0.870   6.631   8.961
   82    H3*    G   8           H3*        G   8  -0.032   7.943   6.400
   83    H2*    G   8           H2*        G   8   2.190   7.166   6.500
   84   2HO*    G   8          2HO*        G   8   2.404   5.907   8.836
   85    H1*    G   8           H1*        G   8   1.799   4.644   7.371
   86    H8     G   8           H8         G   8  -1.112   5.513   5.150
   87    H1     G   8           H1         G   8   4.146   4.099   1.833
   88   1H2     G   8          1H2         G   8   5.844   3.735   3.264
   89   2H2     G   8          2H2         G   8   5.807   4.470   4.851
   90   1H5*    G   9          1H5*        G   9   2.905   9.153   9.320
   91   2H5*    G   9          2H5*        G   9   3.023  10.924   9.378
   92    H4*    G   9           H4*        G   9   5.253  10.016   9.107
   93    H3*    G   9           H3*        G   9   4.000  11.468   6.780
   94    H2*    G   9           H2*        G   9   5.838  10.969   5.361
   95   2HO*    G   9          2HO*        G   9   7.151  10.365   7.806
   96    H1*    G   9           H1*        G   9   6.174   8.394   5.996
   97    H8     G   9           H8         G   9   2.520   9.517   6.199
   98    H1     G   9           H1         G   9   4.295   7.495   0.417
   99   1H2     G   9          1H2         G   9   6.481   7.122   0.382
  100   2H2     G   9          2H2         G   9   7.521   7.539   1.726
  101   1H5*    G  10          1H5*        G  10   7.724  12.144   6.520
  102   2H5*    G  10          2H5*        G  10   8.278  13.830   6.518
  103    H4*    G  10           H4*        G  10   9.213  12.932   4.545
  104    H3*    G  10           H3*        G  10   6.603  14.385   3.985
  105    H2*    G  10           H2*        G  10   6.848  13.898   1.687
  106   2HO*    G  10          2HO*        G  10   9.480  12.907   2.068
  107    H1*    G  10           H1*        G  10   7.898  11.348   1.955
  108    H8     G  10           H8         G  10   4.893  12.366   4.120
  109    H1     G  10           H1         G  10   3.289   9.818  -1.491
  110   1H2     G  10          1H2         G  10   5.125   9.413  -2.689
  111   2H2     G  10          2H2         G  10   6.669  10.116  -2.259
  112   1H5*    U  11          1H5*        U  11   9.130  15.282   1.114
  113   2H5*    U  11          2H5*        U  11   9.291  17.007   0.730
  114    H4*    U  11           H4*        U  11   8.692  15.875  -1.310
  115    H3*    U  11           H3*        U  11   6.533  17.508   0.029
  116    H2*    U  11           H2*        U  11   4.900  16.716  -1.406
  117   2HO*    U  11          2HO*        U  11   5.528  16.075  -3.616
  118    H1*    U  11           H1*        U  11   6.282  14.368  -2.367
  119    H3     U  11           H3         U  11   2.219  12.587  -1.717
  120    H5     U  11           H5         U  11   3.151  14.241   2.048
  121    H6     U  11           H6         U  11   5.183  15.146   1.075
  122   1H5*    G  12          1H5*        G  12   4.650  21.074  -1.478
  123   2H5*    G  12          2H5*        G  12   4.632  19.487  -0.680
  124    H4*    G  12           H4*        G  12   3.461  20.021  -3.438
  125    H3*    G  12           H3*        G  12   2.237  20.142  -0.664
  126    H2*    G  12           H2*        G  12   0.268  19.099  -1.497
  127   2HO*    G  12          2HO*        G  12   1.305  19.260  -4.150
  128    H1*    G  12           H1*        G  12   1.488  17.186  -3.004
  129    H8     G  12           H8         G  12   3.474  17.826   0.160
  130    H1     G  12           H1         G  12  -1.629  14.140   1.156
  131   1H2     G  12          1H2         G  12  -2.856  14.029  -0.687
  132   2H2     G  12          2H2         G  12  -2.487  14.967  -2.115
  133   1H5*    U  13          1H5*        U  13  -0.443  23.895  -1.969
  134   2H5*    U  13          2H5*        U  13  -0.735  24.315  -0.271
  135    H4*    U  13           H4*        U  13  -2.564  22.987  -0.130
  136    H3*    U  13           H3*        U  13  -0.723  20.975  -0.954
  137    H2*    U  13           H2*        U  13  -1.506  20.260  -3.002
  138   2HO*    U  13          2HO*        U  13  -3.910  20.272  -1.539
  139    H1*    U  13           H1*        U  13  -3.513  22.021  -3.745
  140    H3     U  13           H3         U  13  -1.061  23.775  -7.067
  141    H5     U  13           H5         U  13   1.852  22.358  -4.371
  142    H6     U  13           H6         U  13   0.060  21.788  -2.836
  143   1H5*    A  14          1H5*        A  14  -5.155  18.602   0.309
  144   2H5*    A  14          2H5*        A  14  -4.691  16.928  -0.059
  145    H4*    A  14           H4*        A  14  -6.727  18.223  -1.303
  146    H3*    A  14           H3*        A  14  -4.891  15.979  -2.135
  147    H2*    A  14           H2*        A  14  -5.533  16.111  -4.378
  148   2HO*    A  14          2HO*        A  14  -7.721  15.927  -4.200
  149    H1*    A  14           H1*        A  14  -6.134  18.836  -4.559
  150    H8     A  14           H8         A  14  -2.722  18.214  -3.067
  151   1H6     A  14          1H6         A  14  -0.400  16.994  -8.028
  152   2H6     A  14          2H6         A  14  -0.310  18.739  -7.942
  153    H2     A  14           H2         A  14  -5.068  17.890  -9.012
  154   1H5*    A  15          1H5*        A  15  -8.952  12.394  -3.372
  155   2H5*    A  15          2H5*        A  15  -7.295  11.902  -2.976
  156    H4*    A  15           H4*        A  15  -8.544  12.002  -5.545
  157    H3*    A  15           H3*        A  15  -5.870  11.196  -4.412
  158    H2*    A  15           H2*        A  15  -4.759  11.457  -6.482
  159   2HO*    A  15          2HO*        A  15  -6.679  12.160  -8.200
  160    H1*    A  15           H1*        A  15  -5.838  13.788  -7.279
  161    H8     A  15           H8         A  15  -5.464  13.334  -3.470
  162   1H6     A  15          1H6         A  15  -0.018  16.124  -4.053
  163   2H6     A  15          2H6         A  15  -1.070  15.272  -2.945
  164    H2     A  15           H2         A  15  -1.679  15.435  -8.180
  165   1H5*    A  16          1H5*        A  16  -5.507   9.805  -8.031
  166   2H5*    A  16          2H5*        A  16  -5.006   8.103  -8.022
  167    H4*    A  16           H4*        A  16  -3.315   9.499  -9.136
  168    H3*    A  16           H3*        A  16  -2.632   8.183  -6.490
  169    H2*    A  16           H2*        A  16  -0.461   9.117  -6.569
  170   2HO*    A  16          2HO*        A  16   0.340  10.089  -8.516
  171    H1*    A  16           H1*        A  16  -1.129  11.594  -7.538
  172    H8     A  16           H8         A  16  -3.625  10.376  -4.954
  173   1H6     A  16          1H6         A  16   0.138  12.668  -0.668
  174   2H6     A  16          2H6         A  16  -1.351  11.790  -0.936
  175    H2     A  16           H2         A  16   2.307  12.754  -4.608
  176   1H5*    C  17          1H5*        C  17   0.357   7.873  -9.152
  177   2H5*    C  17          2H5*        C  17   1.000   6.255  -9.498
  178    H4*    C  17           H4*        C  17   2.915   7.587  -9.063
  179    H3*    C  17           H3*        C  17   2.052   5.937  -6.665
  180    H2*    C  17           H2*        C  17   3.821   6.838  -5.399
  181   2HO*    C  17          2HO*        C  17   5.264   8.284  -7.101
  182    H1*    C  17           H1*        C  17   3.817   9.405  -6.473
  183   1H4     C  17          1H4         C  17   1.072   9.299  -0.678
  184   2H4     C  17          2H4         C  17  -0.440   9.617  -1.496
  185    H5     C  17           H5         C  17  -0.458   7.909  -3.508
  186    H6     C  17           H6         C  17   0.719   7.563  -5.627
  187   1H5*    C  18          1H5*        C  18   6.232   5.853  -7.464
  188   2H5*    C  18          2H5*        C  18   6.808   4.195  -7.731
  189    H4*    C  18           H4*        C  18   8.483   5.163  -6.384
  190    H3*    C  18           H3*        C  18   6.507   3.532  -4.756
  191    H2*    C  18           H2*        C  18   7.675   4.096  -2.767
  192   2HO*    C  18          2HO*        C  18   9.733   5.518  -3.317
  193    H1*    C  18           H1*        C  18   8.122   6.731  -3.312
  194   1H4     C  18          1H4         C  18   2.671   6.707  -0.045
  195   2H4     C  18          2H4         C  18   1.791   6.191  -1.467
  196    H5     C  18           H5         C  18   2.901   5.321  -3.431
  197    H6     C  18           H6         C  18   5.042   5.156  -4.610
  198   1H5*    U  19          1H5*        U  19  10.224   1.782  -3.648
  199   2H5*    U  19          2H5*        U  19   9.983   0.135  -3.032
  200    H4*    U  19           H4*        U  19  10.497   1.886  -1.265
  201    H3*    U  19           H3*        U  19   8.096   0.057  -1.253
  202    H2*    U  19           H2*        U  19   7.176   1.103   0.643
  203   2HO*    U  19          2HO*        U  19   8.742   2.770   1.700
  204    H1*    U  19           H1*        U  19   7.895   3.707   0.126
  205    H3     U  19           H3         U  19   3.379   3.597  -0.099
  206    H5     U  19           H5         U  19   4.638   1.852  -3.721
  207    H6     U  19           H6         U  19   6.910   1.893  -2.875
  208   1H5*    A  20          1H5*        A  20   9.049  -3.827   1.400
  209   2H5*    A  20          2H5*        A  20   7.338  -3.420   1.642
  210    H4*    A  20           H4*        A  20   9.764  -2.463   3.102
  211    H3*    A  20           H3*        A  20   6.924  -3.276   3.748
  212    H2*    A  20           H2*        A  20   6.803  -1.763   5.547
  213   2HO*    A  20          2HO*        A  20   8.528  -1.215   6.707
  214    H1*    A  20           H1*        A  20   8.177   0.345   4.463
  215    H8     A  20           H8         A  20   5.908  -1.266   1.889
  216   1H6     A  20          1H6         A  20   1.382   2.270   4.089
  217   2H6     A  20          2H6         A  20   1.761   0.979   2.972
  218    H2     A  20           H2         A  20   4.899   2.610   6.881
  219   1H5*    U  21          1H5*        U  21   8.200  -3.826   7.368
  220   2H5*    U  21          2H5*        U  21   8.091  -5.501   7.946
  221    H4*    U  21           H4*        U  21   6.716  -4.351   9.455
  222    H3*    U  21           H3*        U  21   5.112  -5.542   7.181
  223    H2*    U  21           H2*        U  21   3.137  -4.554   7.979
  224   2HO*    U  21          2HO*        U  21   3.336  -3.562  10.261
  225    H1*    U  21           H1*        U  21   4.218  -2.204   9.024
  226    H3     U  21           H3         U  21   1.693  -0.350   5.832
  227    H5     U  21           H5         U  21   4.188  -2.955   3.650
  228    H6     U  21           H6         U  21   5.130  -3.711   5.756
  229   1H5*    C  22          1H5*        C  22   3.393  -6.447  11.212
  230   2H5*    C  22          2H5*        C  22   2.973  -8.171  11.295
  231    H4*    C  22           H4*        C  22   1.109  -6.840  12.142
  232    H3*    C  22           H3*        C  22   0.798  -8.306   9.520
  233    H2*    C  22           H2*        C  22  -1.345  -7.434   9.151
  234   2HO*    C  22          2HO*        C  22  -1.795  -6.092  11.503
  235    H1*    C  22           H1*        C  22  -0.931  -4.839  10.169
  236   1H4     C  22          1H4         C  22  -0.230  -4.315   3.862
  237   2H4     C  22          2H4         C  22   1.240  -5.262   3.903
  238    H5     C  22           H5         C  22   2.171  -6.160   5.933
  239    H6     C  22           H6         C  22   1.815  -6.481   8.336
  240   1H5*    G  23          1H5*        G  23  -2.780  -8.853  11.385
  241   2H5*    G  23          2H5*        G  23  -3.380 -10.516  11.239
  242    H4*    G  23           H4*        G  23  -4.946  -8.914  10.202
  243    H3*    G  23           H3*        G  23  -3.453 -10.855   8.398
  244    H2*    G  23           H2*        G  23  -4.602  -9.983   6.545
  245   2HO*    G  23          2HO*        G  23  -6.690  -9.838   6.885
  246    H1*    G  23           H1*        G  23  -4.827  -7.333   7.456
  247    H8     G  23           H8         G  23  -1.350  -8.893   7.510
  248    H1     G  23           H1         G  23  -2.962  -6.422   1.857
  249   1H2     G  23          1H2         G  23  -5.056  -5.555   2.022
  250   2H2     G  23          2H2         G  23  -6.167  -6.320   3.135
  251   1H5*    C  24          1H5*        C  24  -7.980 -10.888   7.917
  252   2H5*    C  24          2H5*        C  24  -8.453 -12.592   8.064
  253    H4*    C  24           H4*        C  24  -9.749 -11.801   6.257
  254    H3*    C  24           H3*        C  24  -7.244 -13.234   5.331
  255    H2*    C  24           H2*        C  24  -7.780 -12.781   3.076
  256   2HO*    C  24          2HO*        C  24 -10.135 -11.595   3.079
  257    H1*    C  24           H1*        C  24  -8.758 -10.230   3.391
  258   1H4     C  24          1H4         C  24  -2.689  -9.700   1.500
  259   2H4     C  24          2H4         C  24  -2.176  -9.726   3.173
  260    H5     C  24           H5         C  24  -3.582 -10.887   4.824
  261    H6     C  24           H6         C  24  -5.908 -11.345   5.456
  262   1H5*    U  25          1H5*        U  25 -10.438 -14.097   2.735
  263   2H5*    U  25          2H5*        U  25 -10.766 -15.841   2.794
  264    H4*    U  25           H4*        U  25 -10.786 -15.296   0.484
  265    H3*    U  25           H3*        U  25  -8.185 -16.540   1.414
  266    H2*    U  25           H2*        U  25  -7.261 -16.317  -0.746
  267   2HO*    U  25          2HO*        U  25  -9.971 -16.003  -1.568
  268    H1*    U  25           H1*        U  25  -8.299 -13.855  -1.391
  269    H3     U  25           H3         U  25  -3.970 -12.769  -0.906
  270    H5     U  25           H5         U  25  -5.067 -14.068   2.952
  271    H6     U  25           H6         U  25  -7.248 -14.643   2.066
  272   1H5*    C  26          1H5*        C  26  -9.646 -18.123  -2.264
  273   2H5*    C  26          2H5*        C  26  -9.452 -19.878  -2.437
  274    H4*    C  26           H4*        C  26  -8.497 -18.695  -4.377
  275    H3*    C  26           H3*        C  26  -6.635 -20.173  -2.489
  276    H2*    C  26           H2*        C  26  -4.786 -19.573  -3.849
  277   2HO*    C  26          2HO*        C  26  -5.382 -18.366  -5.923
  278    H1*    C  26           H1*        C  26  -5.528 -16.984  -4.358
  279   1H4     C  26          1H4         C  26  -1.570 -16.767   0.618
  280   2H4     C  26          2H4         C  26  -2.834 -17.330   1.689
  281    H5     C  26           H5         C  26  -4.982 -18.094   0.904
  282    H6     C  26           H6         C  26  -6.435 -18.332  -1.055
  283   1H5*    C  27          1H5*        C  27  -6.468 -21.606  -6.859
  284   2H5*    C  27          2H5*        C  27  -5.542 -23.111  -7.027
  285    H4*    C  27           H4*        C  27  -4.682 -20.997  -8.247
  286    H3*    C  27           H3*        C  27  -3.062 -22.873  -6.536
  287    H2*    C  27           H2*        C  27  -1.108 -21.600  -6.889
  288   2HO*    C  27          2HO*        C  27  -2.003 -19.590  -8.459
  289    H1*    C  27           H1*        C  27  -2.202 -19.164  -6.464
  290   1H4     C  27          1H4         C  27  -0.363 -21.510  -0.803
  291   2H4     C  27          2H4         C  27  -1.945 -22.228  -0.604
  292    H5     C  27           H5         C  27  -3.508 -22.453  -2.447
  293    H6     C  27           H6         C  27  -4.045 -21.722  -4.695
  294    H3T    C  27           H3T        C  27  -3.139 -22.225  -9.325
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   9.234 -17.727   0.785
    2   2H5*    G   1          2H5*        G   1  10.263 -18.505  -0.434
    3    H4*    G   1           H4*        G   1   9.428 -16.897  -2.139
    4    H3*    G   1           H3*        G   1   8.270 -15.605   0.256
    5    H2*    G   1           H2*        G   1   6.073 -16.131  -0.212
    6   2HO*    G   1          2HO*        G   1   6.463 -15.207  -2.869
    7    H1*    G   1           H1*        G   1   6.618 -17.262  -2.924
    8    H8     G   1           H8         G   1   6.022 -18.923   0.507
    9    H1     G   1           H1         G   1   1.077 -19.321  -3.508
   10   1H2     G   1          1H2         G   1   1.531 -18.210  -5.372
   11   2H2     G   1          2H2         G   1   3.009 -17.299  -5.589
   12    H5T    G   1           H5T        G   1  11.600 -17.091   0.455
   13   1H5*    G   2          1H5*        G   2   8.055 -13.713  -4.187
   14   2H5*    G   2          2H5*        G   2   7.923 -11.951  -4.010
   15    H4*    G   2           H4*        G   2   6.566 -12.691  -5.905
   16    H3*    G   2           H3*        G   2   5.069 -11.748  -3.430
   17    H2*    G   2           H2*        G   2   3.035 -12.037  -4.612
   18   2HO*    G   2          2HO*        G   2   3.010 -12.369  -6.884
   19    H1*    G   2           H1*        G   2   3.688 -14.401  -5.858
   20    H8     G   2           H8         G   2   4.866 -14.293  -2.256
   21    H1     G   2           H1         G   2  -1.333 -15.673  -2.811
   22   1H2     G   2          1H2         G   2  -1.863 -15.693  -5.031
   23   2H2     G   2          2H2         G   2  -0.996 -14.588  -6.072
   24   1H5*    A   3          1H5*        A   3   4.016  -9.447  -7.199
   25   2H5*    A   3          2H5*        A   3   3.759  -7.743  -6.777
   26    H4*    A   3           H4*        A   3   1.924  -8.591  -8.188
   27    H3*    A   3           H3*        A   3   1.325  -7.832  -5.309
   28    H2*    A   3           H2*        A   3  -0.962  -8.368  -5.656
   29   2HO*    A   3          2HO*        A   3  -1.277  -9.114  -8.119
   30    H1*    A   3           H1*        A   3  -0.590 -10.676  -7.057
   31    H8     A   3           H8         A   3   1.970 -10.176  -4.280
   32   1H6     A   3          1H6         A   3  -2.101 -12.801  -0.497
   33   2H6     A   3          2H6         A   3  -0.526 -12.049  -0.600
   34    H2     A   3           H2         A   3  -4.142 -12.056  -4.437
   35   1H5*    G   4          1H5*        G   4  -1.477  -6.901  -7.884
   36   2H5*    G   4          2H5*        G   4  -1.674  -5.169  -8.217
   37    H4*    G   4           H4*        G   4  -3.876  -5.961  -8.286
   38    H3*    G   4           H3*        G   4  -3.227  -4.863  -5.523
   39    H2*    G   4           H2*        G   4  -5.445  -5.407  -4.820
   40   2HO*    G   4          2HO*        G   4  -5.864  -5.738  -7.607
   41    H1*    G   4           H1*        G   4  -5.378  -7.943  -5.630
   42    H8     G   4           H8         G   4  -1.887  -6.511  -4.983
   43    H1     G   4           H1         G   4  -4.722  -8.784   0.222
   44   1H2     G   4          1H2         G   4  -6.785  -9.471  -0.271
   45   2H2     G   4          2H2         G   4  -7.560  -8.996  -1.764
   46   1H5*    C   5          1H5*        C   5  -6.495  -3.715  -5.765
   47   2H5*    C   5          2H5*        C   5  -6.927  -1.992  -5.785
   48    H4*    C   5           H4*        C   5  -8.097  -2.808  -3.916
   49    H3*    C   5           H3*        C   5  -5.437  -1.579  -3.163
   50    H2*    C   5           H2*        C   5  -5.690  -2.207  -0.926
   51   2HO*    C   5          2HO*        C   5  -8.477  -2.612  -1.428
   52    H1*    C   5           H1*        C   5  -7.126  -4.576  -1.281
   53   1H4     C   5          1H4         C   5  -1.174  -5.975   0.509
   54   2H4     C   5          2H4         C   5  -0.627  -5.818  -1.145
   55    H5     C   5           H5         C   5  -1.960  -4.700  -2.837
   56    H6     C   5           H6         C   5  -4.220  -3.953  -3.431
   57   1H5*    G   6          1H5*        G   6  -8.386  -0.316  -0.512
   58   2H5*    G   6          2H5*        G   6  -8.634   1.441  -0.523
   59    H4*    G   6           H4*        G   6  -8.587   0.943   1.769
   60    H3*    G   6           H3*        G   6  -5.839   1.779   0.788
   61    H2*    G   6           H2*        G   6  -4.953   1.433   2.941
   62   2HO*    G   6          2HO*        G   6  -6.378   1.250   4.784
   63    H1*    G   6           H1*        G   6  -6.538  -0.744   3.682
   64    H8     G   6           H8         G   6  -4.704  -0.587   0.290
   65    H1     G   6           H1         G   6  -1.450  -3.520   4.923
   66   1H2     G   6          1H2         G   6  -2.446  -2.992   6.927
   67   2H2     G   6          2H2         G   6  -4.193  -2.907   6.891
   68   1H5*    G   7          1H5*        G   7  -6.904   3.475   4.553
   69   2H5*    G   7          2H5*        G   7  -6.676   5.235   4.562
   70    H4*    G   7           H4*        G   7  -5.627   4.502   6.553
   71    H3*    G   7           H3*        G   7  -3.703   4.989   4.275
   72    H2*    G   7           H2*        G   7  -1.922   4.076   5.448
   73   2HO*    G   7          2HO*        G   7  -1.543   4.854   7.371
   74    H1*    G   7           H1*        G   7  -3.398   2.496   7.328
   75    H8     G   7           H8         G   7  -2.988   2.241   3.479
   76    H1     G   7           H1         G   7   0.297  -2.078   6.826
   77   1H2     G   7          1H2         G   7   0.333  -1.266   9.068
   78   2H2     G   7          2H2         G   7  -1.312  -0.912   9.548
   79   1H5*    G   8          1H5*        G   8  -2.550   6.705   8.295
   80   2H5*    G   8          2H5*        G   8  -2.181   8.422   8.036
   81    H4*    G   8           H4*        G   8  -0.574   7.428   9.601
   82    H3*    G   8           H3*        G   8   0.310   8.426   6.904
   83    H2*    G   8           H2*        G   8   2.500   7.582   7.148
   84   2HO*    G   8          2HO*        G   8   1.835   7.344   9.918
   85    H1*    G   8           H1*        G   8   1.950   5.182   8.265
   86    H8     G   8           H8         G   8  -0.826   5.902   5.844
   87    H1     G   8           H1         G   8   4.514   3.987   2.930
   88   1H2     G   8          1H2         G   8   6.178   3.892   4.396
   89   2H2     G   8          2H2         G   8   6.033   4.562   6.006
   90   1H5*    G   9          1H5*        G   9   3.299   9.810   9.582
   91   2H5*    G   9          2H5*        G   9   3.534  11.563   9.437
   92    H4*    G   9           H4*        G   9   5.689  10.491   9.183
   93    H3*    G   9           H3*        G   9   4.427  11.710   6.724
   94    H2*    G   9           H2*        G   9   6.198  10.933   5.344
   95   2HO*    G   9          2HO*        G   9   7.957   9.718   6.721
   96    H1*    G   9           H1*        G   9   6.419   8.443   6.321
   97    H8     G   9           H8         G   9   2.827   9.758   6.387
   98    H1     G   9           H1         G   9   4.460   6.939   0.905
   99   1H2     G   9          1H2         G   9   6.620   6.375   0.969
  100   2H2     G   9          2H2         G   9   7.704   7.090   2.141
  101   1H5*    G  10          1H5*        G  10   8.105  12.226   6.169
  102   2H5*    G  10          2H5*        G  10   8.700  13.888   5.974
  103    H4*    G  10           H4*        G  10   9.467  12.825   4.024
  104    H3*    G  10           H3*        G  10   6.798  14.191   3.514
  105    H2*    G  10           H2*        G  10   6.897  13.474   1.264
  106   2HO*    G  10          2HO*        G  10   8.864  12.664   0.358
  107    H1*    G  10           H1*        G  10   8.020  10.977   1.723
  108    H8     G  10           H8         G  10   5.130  12.129   3.967
  109    H1     G  10           H1         G  10   3.242   9.097  -1.303
  110   1H2     G  10          1H2         G  10   4.961   8.800  -2.670
  111   2H2     G  10          2H2         G  10   6.600   9.217  -2.220
  112   1H5*    U  11          1H5*        U  11   8.978  14.722   0.411
  113   2H5*    U  11          2H5*        U  11   9.229  16.394  -0.122
  114    H4*    U  11           H4*        U  11   8.428  15.252  -2.044
  115    H3*    U  11           H3*        U  11   6.350  16.904  -0.603
  116    H2*    U  11           H2*        U  11   4.623  16.025  -1.864
  117   2HO*    U  11          2HO*        U  11   4.897  16.460  -3.911
  118    H1*    U  11           H1*        U  11   5.970  13.667  -2.852
  119    H3     U  11           H3         U  11   2.026  11.820  -1.792
  120    H5     U  11           H5         U  11   3.201  13.691   1.803
  121    H6     U  11           H6         U  11   5.136  14.579   0.629
  122   1H5*    G  12          1H5*        G  12   4.212  20.200  -2.001
  123   2H5*    G  12          2H5*        G  12   4.326  18.566  -1.317
  124    H4*    G  12           H4*        G  12   3.036  19.039  -4.015
  125    H3*    G  12           H3*        G  12   1.883  19.560  -1.264
  126    H2*    G  12           H2*        G  12  -0.130  18.467  -1.851
  127   2HO*    G  12          2HO*        G  12   0.693  19.159  -4.420
  128    H1*    G  12           H1*        G  12   0.935  16.370  -3.250
  129    H8     G  12           H8         G  12   2.886  17.429  -0.130
  130    H1     G  12           H1         G  12  -1.898  13.400   1.088
  131   1H2     G  12          1H2         G  12  -3.278  13.357  -0.735
  132   2H2     G  12          2H2         G  12  -2.498  13.497  -2.295
  133   1H5*    U  13          1H5*        U  13  -0.855  22.947  -3.531
  134   2H5*    U  13          2H5*        U  13  -1.437  23.643  -2.006
  135    H4*    U  13           H4*        U  13  -3.311  22.376  -2.013
  136    H3*    U  13           H3*        U  13  -1.416  20.247  -2.042
  137    H2*    U  13           H2*        U  13  -1.790  19.145  -4.034
  138   2HO*    U  13          2HO*        U  13  -4.572  19.634  -3.602
  139    H1*    U  13           H1*        U  13  -3.523  20.721  -5.509
  140    H3     U  13           H3         U  13  -0.359  21.839  -8.485
  141    H5     U  13           H5         U  13   1.860  20.958  -5.011
  142    H6     U  13           H6         U  13  -0.236  20.688  -3.821
  143   1H5*    A  14          1H5*        A  14  -5.706  17.820  -0.450
  144   2H5*    A  14          2H5*        A  14  -5.135  16.148  -0.626
  145    H4*    A  14           H4*        A  14  -7.115  17.280  -2.150
  146    H3*    A  14           H3*        A  14  -5.220  14.963  -2.553
  147    H2*    A  14           H2*        A  14  -5.719  14.810  -4.826
  148   2HO*    A  14          2HO*        A  14  -8.213  15.718  -3.931
  149    H1*    A  14           H1*        A  14  -6.482  17.491  -5.317
  150    H8     A  14           H8         A  14  -3.005  17.157  -3.907
  151   1H6     A  14          1H6         A  14  -0.843  15.476  -8.925
  152   2H6     A  14          2H6         A  14  -0.740  17.213  -8.748
  153    H2     A  14           H2         A  14  -5.529  16.079  -9.686
  154   1H5*    A  15          1H5*        A  15  -9.027  11.809  -3.651
  155   2H5*    A  15          2H5*        A  15  -7.792  10.686  -3.048
  156    H4*    A  15           H4*        A  15  -8.616  10.678  -5.607
  157    H3*    A  15           H3*        A  15  -6.037   9.961  -4.268
  158    H2*    A  15           H2*        A  15  -4.750  10.010  -6.240
  159   2HO*    A  15          2HO*        A  15  -5.604   9.664  -8.227
  160    H1*    A  15           H1*        A  15  -5.781  12.179  -7.464
  161    H8     A  15           H8         A  15  -5.580  12.170  -3.604
  162   1H6     A  15          1H6         A  15  -0.326  15.271  -4.282
  163   2H6     A  15          2H6         A  15  -1.280  14.355  -3.138
  164    H2     A  15           H2         A  15  -1.737  14.009  -8.374
  165   1H5*    A  16          1H5*        A  16  -5.737   7.925  -7.559
  166   2H5*    A  16          2H5*        A  16  -5.242   6.234  -7.338
  167    H4*    A  16           H4*        A  16  -3.548   7.442  -8.632
  168    H3*    A  16           H3*        A  16  -2.849   6.569  -5.811
  169    H2*    A  16           H2*        A  16  -0.671   7.469  -6.072
  170   2HO*    A  16          2HO*        A  16   0.027   8.203  -8.199
  171    H1*    A  16           H1*        A  16  -1.371   9.774  -7.376
  172    H8     A  16           H8         A  16  -3.793   8.809  -4.593
  173   1H6     A  16          1H6         A  16  -0.044  11.777  -0.718
  174   2H6     A  16          2H6         A  16  -1.532  10.869  -0.857
  175    H2     A  16           H2         A  16   1.980  11.567  -4.728
  176   1H5*    C  17          1H5*        C  17   0.228   5.628  -8.615
  177   2H5*    C  17          2H5*        C  17   0.972   4.043  -8.322
  178    H4*    C  17           H4*        C  17   2.691   5.801  -8.408
  179    H3*    C  17           H3*        C  17   2.153   4.477  -5.721
  180    H2*    C  17           H2*        C  17   3.911   5.760  -4.793
  181   2HO*    C  17          2HO*        C  17   4.690   6.382  -7.477
  182    H1*    C  17           H1*        C  17   3.449   8.097  -6.220
  183   1H4     C  17          1H4         C  17   1.164   8.512  -0.232
  184   2H4     C  17          2H4         C  17  -0.431   8.518  -0.949
  185    H5     C  17           H5         C  17  -0.445   6.648  -2.761
  186    H6     C  17           H6         C  17   0.610   6.137  -4.912
  187   1H5*    C  18          1H5*        C  18   6.365   4.346  -6.724
  188   2H5*    C  18          2H5*        C  18   6.960   2.678  -6.615
  189    H4*    C  18           H4*        C  18   8.589   3.990  -5.490
  190    H3*    C  18           H3*        C  18   6.671   2.584  -3.603
  191    H2*    C  18           H2*        C  18   7.813   3.533  -1.747
  192   2HO*    C  18          2HO*        C  18   9.948   3.147  -2.705
  193    H1*    C  18           H1*        C  18   8.106   6.051  -2.737
  194   1H4     C  18          1H4         C  18   2.606   6.232   0.456
  195   2H4     C  18          2H4         C  18   1.780   5.465  -0.882
  196    H5     C  18           H5         C  18   2.967   4.374  -2.684
  197    H6     C  18           H6         C  18   5.137   4.138  -3.797
  198   1H5*    U  19          1H5*        U  19  10.459   1.508  -2.328
  199   2H5*    U  19          2H5*        U  19  10.624  -0.115  -1.628
  200    H4*    U  19           H4*        U  19  10.981   1.612   0.089
  201    H3*    U  19           H3*        U  19   8.586  -0.225   0.244
  202    H2*    U  19           H2*        U  19   7.761   0.879   2.166
  203   2HO*    U  19          2HO*        U  19   9.479   1.132   3.483
  204    H1*    U  19           H1*        U  19   8.292   3.451   1.442
  205    H3     U  19           H3         U  19   3.807   3.225   1.069
  206    H5     U  19           H5         U  19   5.179   0.878  -2.149
  207    H6     U  19           H6         U  19   7.438   1.162  -1.310
  208   1H5*    A  20          1H5*        A  20   9.274  -3.965   2.935
  209   2H5*    A  20          2H5*        A  20   7.587  -3.411   2.991
  210    H4*    A  20           H4*        A  20   9.996  -2.371   4.471
  211    H3*    A  20           H3*        A  20   7.200  -3.290   5.122
  212    H2*    A  20           H2*        A  20   6.885  -1.626   6.745
  213   2HO*    A  20          2HO*        A  20   9.384  -0.529   6.887
  214    H1*    A  20           H1*        A  20   8.232   0.462   5.581
  215    H8     A  20           H8         A  20   6.130  -1.473   3.078
  216   1H6     A  20          1H6         A  20   1.405   2.097   4.758
  217   2H6     A  20          2H6         A  20   1.911   0.798   3.702
  218    H2     A  20           H2         A  20   4.807   2.860   7.597
  219   1H5*    U  21          1H5*        U  21   8.346  -3.410   8.897
  220   2H5*    U  21          2H5*        U  21   8.270  -5.056   9.559
  221    H4*    U  21           H4*        U  21   6.757  -3.891  10.918
  222    H3*    U  21           H3*        U  21   5.318  -5.217   8.599
  223    H2*    U  21           H2*        U  21   3.275  -4.309   9.329
  224   2HO*    U  21          2HO*        U  21   4.148  -3.306  11.769
  225    H1*    U  21           H1*        U  21   4.255  -1.891  10.346
  226    H3     U  21           H3         U  21   1.703  -0.170   7.107
  227    H5     U  21           H5         U  21   4.239  -2.790   4.992
  228    H6     U  21           H6         U  21   5.202  -3.464   7.113
  229   1H5*    C  22          1H5*        C  22   3.279  -5.830  11.860
  230   2H5*    C  22          2H5*        C  22   2.890  -7.487  12.363
  231    H4*    C  22           H4*        C  22   0.813  -6.331  12.409
  232    H3*    C  22           H3*        C  22   1.202  -7.968   9.883
  233    H2*    C  22           H2*        C  22  -0.883  -7.271   9.079
  234   2HO*    C  22          2HO*        C  22  -1.541  -6.347  11.711
  235    H1*    C  22           H1*        C  22  -0.876  -4.656  10.233
  236   1H4     C  22          1H4         C  22   0.169  -3.736   4.032
  237   2H4     C  22          2H4         C  22   1.593  -4.752   4.063
  238    H5     C  22           H5         C  22   2.504  -5.651   6.113
  239    H6     C  22           H6         C  22   2.055  -6.088   8.482
  240   1H5*    G  23          1H5*        G  23  -2.619  -8.483  11.391
  241   2H5*    G  23          2H5*        G  23  -3.222 -10.150  11.303
  242    H4*    G  23           H4*        G  23  -4.757  -8.631  10.137
  243    H3*    G  23           H3*        G  23  -3.136 -10.554   8.423
  244    H2*    G  23           H2*        G  23  -4.248  -9.740   6.529
  245   2HO*    G  23          2HO*        G  23  -6.239  -8.488   8.127
  246    H1*    G  23           H1*        G  23  -4.690  -7.105   7.478
  247    H8     G  23           H8         G  23  -1.149  -8.564   7.347
  248    H1     G  23           H1         G  23  -3.009  -5.775   1.923
  249   1H2     G  23          1H2         G  23  -5.116  -5.038   2.157
  250   2H2     G  23          2H2         G  23  -6.158  -5.717   3.387
  251   1H5*    C  24          1H5*        C  24  -7.697 -10.823   8.002
  252   2H5*    C  24          2H5*        C  24  -8.096 -12.553   7.993
  253    H4*    C  24           H4*        C  24  -9.418 -11.657   6.254
  254    H3*    C  24           H3*        C  24  -6.843 -12.874   5.199
  255    H2*    C  24           H2*        C  24  -7.481 -12.290   2.998
  256   2HO*    C  24          2HO*        C  24 -10.089 -11.746   4.042
  257    H1*    C  24           H1*        C  24  -8.581  -9.827   3.555
  258   1H4     C  24          1H4         C  24  -2.642  -8.885   1.440
  259   2H4     C  24          2H4         C  24  -2.021  -9.138   3.055
  260    H5     C  24           H5         C  24  -3.317 -10.419   4.675
  261    H6     C  24           H6         C  24  -5.595 -10.998   5.382
  262   1H5*    U  25          1H5*        U  25 -10.318 -13.973   2.818
  263   2H5*    U  25          2H5*        U  25 -10.369 -15.741   2.677
  264    H4*    U  25           H4*        U  25 -10.775 -14.832   0.483
  265    H3*    U  25           H3*        U  25  -8.027 -16.034   0.929
  266    H2*    U  25           H2*        U  25  -7.406 -15.497  -1.291
  267   2HO*    U  25          2HO*        U  25  -8.936 -14.960  -2.874
  268    H1*    U  25           H1*        U  25  -8.576 -13.020  -1.445
  269    H3     U  25           H3         U  25  -4.193 -11.979  -1.333
  270    H5     U  25           H5         U  25  -4.930 -13.539   2.513
  271    H6     U  25           H6         U  25  -7.180 -14.071   1.791
  272   1H5*    C  26          1H5*        C  26  -9.731 -17.256  -2.810
  273   2H5*    C  26          2H5*        C  26  -9.520 -18.993  -3.103
  274    H4*    C  26           H4*        C  26  -8.737 -17.678  -5.033
  275    H3*    C  26           H3*        C  26  -6.733 -19.243  -3.383
  276    H2*    C  26           H2*        C  26  -4.965 -18.492  -4.760
  277   2HO*    C  26          2HO*        C  26  -6.526 -17.157  -6.641
  278    H1*    C  26           H1*        C  26  -5.815 -15.903  -5.138
  279   1H4     C  26          1H4         C  26  -1.597 -15.591  -0.408
  280   2H4     C  26          2H4         C  26  -2.638 -16.514   0.654
  281    H5     C  26           H5         C  26  -4.880 -17.165   0.027
  282    H6     C  26           H6         C  26  -6.450 -17.392  -1.839
  283   1H5*    C  27          1H5*        C  27  -6.620 -19.739  -7.653
  284   2H5*    C  27          2H5*        C  27  -6.246 -21.361  -8.266
  285    H4*    C  27           H4*        C  27  -4.845 -19.606  -9.313
  286    H3*    C  27           H3*        C  27  -3.585 -21.752  -7.615
  287    H2*    C  27           H2*        C  27  -1.432 -20.871  -8.029
  288   2HO*    C  27          2HO*        C  27  -2.734 -19.669 -10.195
  289    H1*    C  27           H1*        C  27  -2.041 -18.280  -7.568
  290   1H4     C  27          1H4         C  27  -0.651 -20.713  -1.843
  291   2H4     C  27          2H4         C  27  -2.198 -21.528  -1.789
  292    H5     C  27           H5         C  27  -3.806 -21.429  -3.594
  293    H6     C  27           H6         C  27  -4.234 -20.617  -5.838
  294    H3T    C  27           H3T        C  27  -4.477 -21.505 -10.111
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   9.247 -15.241   2.859
    2   2H5*    G   1          2H5*        G   1  10.258 -16.293   1.848
    3    H4*    G   1           H4*        G   1   9.560 -14.788  -0.125
    4    H3*    G   1           H3*        G   1   8.049 -13.527   2.081
    5    H2*    G   1           H2*        G   1   5.987 -14.368   1.475
    6   2HO*    G   1          2HO*        G   1   6.753 -13.109  -0.961
    7    H1*    G   1           H1*        G   1   6.921 -15.526  -1.122
    8    H8     G   1           H8         G   1   6.161 -17.072   2.330
    9    H1     G   1           H1         G   1   1.777 -18.318  -2.134
   10   1H2     G   1          1H2         G   1   2.232 -17.165  -3.980
   11   2H2     G   1          2H2         G   1   3.724 -16.272  -4.176
   12    H5T    G   1           H5T        G   1  11.409 -14.556   2.838
   13   1H5*    G   2          1H5*        G   2   8.076 -12.349  -2.390
   14   2H5*    G   2          2H5*        G   2   7.937 -10.594  -2.614
   15    H4*    G   2           H4*        G   2   6.860 -11.590  -4.501
   16    H3*    G   2           H3*        G   2   4.935 -10.581  -2.379
   17    H2*    G   2           H2*        G   2   3.115 -11.262  -3.722
   18   2HO*    G   2          2HO*        G   2   4.346 -12.127  -5.976
   19    H1*    G   2           H1*        G   2   4.212 -13.612  -4.684
   20    H8     G   2           H8         G   2   4.810 -13.115  -0.975
   21    H1     G   2           H1         G   2  -1.003 -15.379  -2.285
   22   1H2     G   2          1H2         G   2  -1.323 -15.404  -4.485
   23   2H2     G   2          2H2         G   2  -0.211 -14.634  -5.594
   24   1H5*    A   3          1H5*        A   3   4.236  -9.107  -6.644
   25   2H5*    A   3          2H5*        A   3   3.968  -7.355  -6.532
   26    H4*    A   3           H4*        A   3   2.371  -8.246  -8.108
   27    H3*    A   3           H3*        A   3   1.262  -7.459  -5.395
   28    H2*    A   3           H2*        A   3  -0.925  -8.078  -6.130
   29   2HO*    A   3          2HO*        A   3  -0.474  -8.989  -8.620
   30    H1*    A   3           H1*        A   3  -0.257 -10.457  -7.198
   31    H8     A   3           H8         A   3   1.965  -9.487  -4.249
   32   1H6     A   3          1H6         A   3  -2.396 -11.497  -0.526
   33   2H6     A   3          2H6         A   3  -0.662 -11.613  -0.701
   34    H2     A   3           H2         A   3  -3.928 -11.923  -4.779
   35   1H5*    G   4          1H5*        G   4  -1.379  -6.621  -8.111
   36   2H5*    G   4          2H5*        G   4  -1.616  -4.884  -8.384
   37    H4*    G   4           H4*        G   4  -3.805  -5.701  -8.401
   38    H3*    G   4           H3*        G   4  -3.101  -4.750  -5.586
   39    H2*    G   4           H2*        G   4  -5.336  -5.295  -4.930
   40   2HO*    G   4          2HO*        G   4  -6.601  -6.392  -6.819
   41    H1*    G   4           H1*        G   4  -5.277  -7.788  -5.891
   42    H8     G   4           H8         G   4  -1.796  -6.421  -5.038
   43    H1     G   4           H1         G   4  -4.853  -8.936  -0.083
   44   1H2     G   4          1H2         G   4  -6.923  -9.489  -0.646
   45   2H2     G   4          2H2         G   4  -7.591  -9.100  -2.216
   46   1H5*    C   5          1H5*        C   5  -6.437  -3.434  -5.865
   47   2H5*    C   5          2H5*        C   5  -6.772  -1.695  -5.726
   48    H4*    C   5           H4*        C   5  -8.048  -2.686  -3.989
   49    H3*    C   5           H3*        C   5  -5.426  -1.496  -3.062
   50    H2*    C   5           H2*        C   5  -5.729  -2.302  -0.893
   51   2HO*    C   5          2HO*        C   5  -8.333  -3.125  -0.956
   52    H1*    C   5           H1*        C   5  -7.196  -4.618  -1.463
   53   1H4     C   5          1H4         C   5  -1.405  -6.381   0.477
   54   2H4     C   5          2H4         C   5  -0.703  -5.871  -1.041
   55    H5     C   5           H5         C   5  -1.976  -4.796  -2.794
   56    H6     C   5           H6         C   5  -4.187  -3.960  -3.443
   57   1H5*    G   6          1H5*        G   6  -8.696  -0.240  -0.323
   58   2H5*    G   6          2H5*        G   6  -8.703   1.535  -0.349
   59    H4*    G   6           H4*        G   6  -8.880   1.005   1.943
   60    H3*    G   6           H3*        G   6  -6.035   1.637   1.112
   61    H2*    G   6           H2*        G   6  -5.260   1.195   3.297
   62   2HO*    G   6          2HO*        G   6  -7.937   1.757   3.964
   63    H1*    G   6           H1*        G   6  -6.901  -0.944   3.893
   64    H8     G   6           H8         G   6  -5.190  -0.650   0.447
   65    H1     G   6           H1         G   6  -1.889  -3.987   4.765
   66   1H2     G   6          1H2         G   6  -2.875  -3.839   6.746
   67   2H2     G   6          2H2         G   6  -4.443  -3.091   6.955
   68   1H5*    G   7          1H5*        G   7  -6.864   3.505   4.857
   69   2H5*    G   7          2H5*        G   7  -6.480   5.236   4.773
   70    H4*    G   7           H4*        G   7  -5.383   4.451   6.734
   71    H3*    G   7           H3*        G   7  -3.582   4.800   4.337
   72    H2*    G   7           H2*        G   7  -1.800   3.746   5.373
   73   2HO*    G   7          2HO*        G   7  -2.916   4.583   7.868
   74    H1*    G   7           H1*        G   7  -3.248   2.321   7.408
   75    H8     G   7           H8         G   7  -3.017   1.996   3.547
   76    H1     G   7           H1         G   7  -0.065  -2.611   6.819
   77   1H2     G   7          1H2         G   7  -0.146  -2.157   8.999
   78   2H2     G   7          2H2         G   7  -1.221  -0.935   9.641
   79   1H5*    G   8          1H5*        G   8  -1.947   6.302   8.248
   80   2H5*    G   8          2H5*        G   8  -1.635   8.031   7.993
   81    H4*    G   8           H4*        G   8   0.137   7.099   9.375
   82    H3*    G   8           H3*        G   8   0.775   7.990   6.570
   83    H2*    G   8           H2*        G   8   2.985   7.160   6.675
   84   2HO*    G   8          2HO*        G   8   2.621   6.725   9.478
   85    H1*    G   8           H1*        G   8   2.526   4.801   7.902
   86    H8     G   8           H8         G   8  -0.452   5.421   5.713
   87    H1     G   8           H1         G   8   4.640   3.520   2.379
   88   1H2     G   8          1H2         G   8   6.442   3.534   3.679
   89   2H2     G   8          2H2         G   8   6.408   4.142   5.319
   90   1H5*    G   9          1H5*        G   9   3.859   9.198   8.961
   91   2H5*    G   9          2H5*        G   9   4.157  10.947   9.014
   92    H4*    G   9           H4*        G   9   6.283   9.952   8.621
   93    H3*    G   9           H3*        G   9   4.973  11.179   6.192
   94    H2*    G   9           H2*        G   9   6.719  10.403   4.766
   95   2HO*    G   9          2HO*        G   9   8.416   9.100   6.273
   96    H1*    G   9           H1*        G   9   6.888   7.897   5.674
   97    H8     G   9           H8         G   9   3.367   9.394   5.967
   98    H1     G   9           H1         G   9   4.500   6.465   0.416
   99   1H2     G   9          1H2         G   9   6.629   5.650   0.458
  100   2H2     G   9          2H2         G   9   7.816   6.573   1.354
  101   1H5*    G  10          1H5*        G  10   8.567  11.736   5.593
  102   2H5*    G  10          2H5*        G  10   9.195  13.375   5.327
  103    H4*    G  10           H4*        G  10   9.844  12.221   3.379
  104    H3*    G  10           H3*        G  10   7.245  13.732   2.963
  105    H2*    G  10           H2*        G  10   7.131  12.934   0.744
  106   2HO*    G  10          2HO*        G  10   9.835  13.010   0.978
  107    H1*    G  10           H1*        G  10   8.136  10.389   1.190
  108    H8     G  10           H8         G  10   5.505  11.728   3.642
  109    H1     G  10           H1         G  10   3.053   8.758  -1.431
  110   1H2     G  10          1H2         G  10   4.653   8.258  -2.871
  111   2H2     G  10          2H2         G  10   6.310   8.774  -2.648
  112   1H5*    U  11          1H5*        U  11   9.189  14.167  -0.331
  113   2H5*    U  11          2H5*        U  11   9.442  15.833  -0.885
  114    H4*    U  11           H4*        U  11   8.357  14.735  -2.696
  115    H3*    U  11           H3*        U  11   6.556  16.470  -1.001
  116    H2*    U  11           H2*        U  11   4.642  15.704  -2.058
  117   2HO*    U  11          2HO*        U  11   5.785  16.449  -4.127
  118    H1*    U  11           H1*        U  11   5.721  13.276  -3.178
  119    H3     U  11           H3         U  11   1.861  11.635  -1.598
  120    H5     U  11           H5         U  11   3.602  13.422   1.803
  121    H6     U  11           H6         U  11   5.405  14.217   0.382
  122   1H5*    G  12          1H5*        G  12   5.166  20.384  -2.675
  123   2H5*    G  12          2H5*        G  12   4.328  19.869  -1.198
  124    H4*    G  12           H4*        G  12   3.541  19.561  -4.036
  125    H3*    G  12           H3*        G  12   2.193  19.850  -1.339
  126    H2*    G  12           H2*        G  12   0.277  18.682  -2.098
  127   2HO*    G  12          2HO*        G  12   1.005  18.187  -4.693
  128    H1*    G  12           H1*        G  12   1.520  16.653  -3.368
  129    H8     G  12           H8         G  12   3.647  17.700  -0.421
  130    H1     G  12           H1         G  12  -1.323  14.093   1.290
  131   1H2     G  12          1H2         G  12  -2.782  13.981  -0.408
  132   2H2     G  12          2H2         G  12  -2.263  14.321  -2.044
  133   1H5*    U  13          1H5*        U  13  -0.478  23.392  -3.245
  134   2H5*    U  13          2H5*        U  13  -0.880  24.038  -1.642
  135    H4*    U  13           H4*        U  13  -2.749  22.774  -1.475
  136    H3*    U  13           H3*        U  13  -0.893  20.637  -1.820
  137    H2*    U  13           H2*        U  13  -1.515  19.622  -3.796
  138   2HO*    U  13          2HO*        U  13  -4.242  20.050  -3.660
  139    H1*    U  13           H1*        U  13  -3.381  21.277  -4.992
  140    H3     U  13           H3         U  13  -0.565  22.534  -8.254
  141    H5     U  13           H5         U  13   2.025  21.454  -5.110
  142    H6     U  13           H6         U  13   0.077  21.133  -3.704
  143   1H5*    A  14          1H5*        A  14  -4.814  18.070   0.409
  144   2H5*    A  14          2H5*        A  14  -4.292  16.427  -0.022
  145    H4*    A  14           H4*        A  14  -6.471  17.757  -1.100
  146    H3*    A  14           H3*        A  14  -4.810  15.367  -1.913
  147    H2*    A  14           H2*        A  14  -5.668  15.369  -4.083
  148   2HO*    A  14          2HO*        A  14  -7.917  15.849  -2.793
  149    H1*    A  14           H1*        A  14  -6.273  18.108  -4.351
  150    H8     A  14           H8         A  14  -2.675  17.557  -3.420
  151   1H6     A  14          1H6         A  14  -1.481  16.261  -9.246
  152   2H6     A  14          2H6         A  14  -0.855  17.297  -7.982
  153    H2     A  14           H2         A  14  -5.982  16.715  -8.833
  154   1H5*    A  15          1H5*        A  15  -9.062  12.228  -2.650
  155   2H5*    A  15          2H5*        A  15  -7.607  11.313  -2.207
  156    H4*    A  15           H4*        A  15  -8.826  11.243  -4.677
  157    H3*    A  15           H3*        A  15  -6.139  10.481  -3.593
  158    H2*    A  15           H2*        A  15  -5.052  10.509  -5.683
  159   2HO*    A  15          2HO*        A  15  -7.554   9.838  -6.558
  160    H1*    A  15           H1*        A  15  -6.145  12.705  -6.790
  161    H8     A  15           H8         A  15  -5.591  12.649  -2.961
  162   1H6     A  15          1H6         A  15  -0.267  15.508  -4.105
  163   2H6     A  15          2H6         A  15  -1.259  14.779  -2.861
  164    H2     A  15           H2         A  15  -2.161  14.457  -8.047
  165   1H5*    A  16          1H5*        A  16  -6.273   8.549  -6.946
  166   2H5*    A  16          2H5*        A  16  -5.810   6.837  -6.867
  167    H4*    A  16           H4*        A  16  -4.275   8.067  -8.333
  168    H3*    A  16           H3*        A  16  -3.259   6.939  -5.719
  169    H2*    A  16           H2*        A  16  -1.108   7.853  -6.086
  170   2HO*    A  16          2HO*        A  16  -0.317   8.081  -8.049
  171    H1*    A  16           H1*        A  16  -1.845  10.285  -7.056
  172    H8     A  16           H8         A  16  -4.166   9.062  -4.292
  173   1H6     A  16          1H6         A  16  -0.139  11.429  -0.279
  174   2H6     A  16          2H6         A  16  -1.769  10.826  -0.480
  175    H2     A  16           H2         A  16   1.662  11.706  -4.386
  176   1H5*    C  17          1H5*        C  17  -0.417   6.387  -8.700
  177   2H5*    C  17          2H5*        C  17   0.170   4.715  -8.814
  178    H4*    C  17           H4*        C  17   2.116   6.105  -8.667
  179    H3*    C  17           H3*        C  17   1.389   4.721  -6.061
  180    H2*    C  17           H2*        C  17   3.291   5.688  -5.049
  181   2HO*    C  17          2HO*        C  17   4.974   5.419  -6.365
  182    H1*    C  17           H1*        C  17   3.187   8.146  -6.323
  183   1H4     C  17          1H4         C  17   0.918   8.478  -0.336
  184   2H4     C  17          2H4         C  17  -0.669   8.701  -1.039
  185    H5     C  17           H5         C  17  -0.833   6.872  -2.923
  186    H6     C  17           H6         C  17   0.165   6.384  -5.106
  187   1H5*    C  18          1H5*        C  18   5.634   4.144  -7.405
  188   2H5*    C  18          2H5*        C  18   6.001   2.412  -7.286
  189    H4*    C  18           H4*        C  18   7.888   3.615  -6.396
  190    H3*    C  18           H3*        C  18   6.102   2.228  -4.374
  191    H2*    C  18           H2*        C  18   7.457   3.024  -2.593
  192   2HO*    C  18          2HO*        C  18   9.334   4.223  -4.329
  193    H1*    C  18           H1*        C  18   7.761   5.578  -3.456
  194   1H4     C  18          1H4         C  18   2.507   5.814   0.092
  195   2H4     C  18          2H4         C  18   1.589   4.973  -1.135
  196    H5     C  18           H5         C  18   2.572   4.093  -3.149
  197    H6     C  18           H6         C  18   4.643   3.864  -4.440
  198   1H5*    U  19          1H5*        U  19   9.947   0.727  -3.480
  199   2H5*    U  19          2H5*        U  19   9.908  -0.918  -2.813
  200    H4*    U  19           H4*        U  19  10.607   0.806  -1.141
  201    H3*    U  19           H3*        U  19   8.202  -0.972  -0.786
  202    H2*    U  19           H2*        U  19   7.483   0.153   1.149
  203   2HO*    U  19          2HO*        U  19  10.206   0.669   1.370
  204    H1*    U  19           H1*        U  19   8.185   2.728   0.507
  205    H3     U  19           H3         U  19   3.691   2.899   0.568
  206    H5     U  19           H5         U  19   4.547   0.640  -2.885
  207    H6     U  19           H6         U  19   6.887   0.662  -2.240
  208   1H5*    A  20          1H5*        A  20   8.401  -3.937   2.909
  209   2H5*    A  20          2H5*        A  20   7.888  -2.434   2.116
  210    H4*    A  20           H4*        A  20   9.806  -2.148   4.384
  211    H3*    A  20           H3*        A  20   7.025  -3.303   4.682
  212    H2*    A  20           H2*        A  20   6.541  -1.840   6.464
  213   2HO*    A  20          2HO*        A  20   8.324  -0.601   7.445
  214    H1*    A  20           H1*        A  20   7.854   0.407   5.549
  215    H8     A  20           H8         A  20   5.814  -1.510   2.937
  216   1H6     A  20          1H6         A  20   0.965   1.771   4.747
  217   2H6     A  20          2H6         A  20   1.687   1.043   3.330
  218    H2     A  20           H2         A  20   4.436   2.824   7.442
  219   1H5*    U  21          1H5*        U  21   8.020  -4.093   8.634
  220   2H5*    U  21          2H5*        U  21   7.746  -5.821   8.933
  221    H4*    U  21           H4*        U  21   6.253  -4.567  10.366
  222    H3*    U  21           H3*        U  21   5.034  -6.008   8.004
  223    H2*    U  21           H2*        U  21   2.914  -5.120   8.437
  224   2HO*    U  21          2HO*        U  21   3.069  -3.971  10.830
  225    H1*    U  21           H1*        U  21   3.667  -2.667   9.564
  226    H3     U  21           H3         U  21   1.536  -0.907   6.062
  227    H5     U  21           H5         U  21   4.162  -3.656   4.243
  228    H6     U  21           H6         U  21   4.906  -4.310   6.460
  229   1H5*    C  22          1H5*        C  22   2.847  -6.871  11.759
  230   2H5*    C  22          2H5*        C  22   2.392  -8.585  11.842
  231    H4*    C  22           H4*        C  22   0.417  -7.204  12.238
  232    H3*    C  22           H3*        C  22   0.586  -8.723   9.620
  233    H2*    C  22           H2*        C  22  -1.491  -7.884   8.944
  234   2HO*    C  22          2HO*        C  22  -1.946  -7.128  11.675
  235    H1*    C  22           H1*        C  22  -1.291  -5.321  10.177
  236   1H4     C  22          1H4         C  22  -0.294  -4.241   3.990
  237   2H4     C  22          2H4         C  22   1.081  -5.322   3.968
  238    H5     C  22           H5         C  22   1.951  -6.364   5.959
  239    H6     C  22           H6         C  22   1.513  -6.861   8.318
  240   1H5*    G  23          1H5*        G  23  -3.249  -9.240  11.173
  241   2H5*    G  23          2H5*        G  23  -3.853 -10.893  10.947
  242    H4*    G  23           H4*        G  23  -5.354  -9.250   9.878
  243    H3*    G  23           H3*        G  23  -3.775 -11.129   8.079
  244    H2*    G  23           H2*        G  23  -4.825 -10.178   6.211
  245   2HO*    G  23          2HO*        G  23  -6.813  -9.209   8.026
  246    H1*    G  23           H1*        G  23  -5.162  -7.575   7.259
  247    H8     G  23           H8         G  23  -1.688  -9.198   7.206
  248    H1     G  23           H1         G  23  -3.191  -6.110   1.835
  249   1H2     G  23          1H2         G  23  -5.255  -5.241   2.039
  250   2H2     G  23          2H2         G  23  -6.386  -5.945   3.172
  251   1H5*    C  24          1H5*        C  24  -8.305 -11.138   7.480
  252   2H5*    C  24          2H5*        C  24  -8.775 -12.850   7.445
  253    H4*    C  24           H4*        C  24 -10.023 -11.905   5.687
  254    H3*    C  24           H3*        C  24  -7.452 -13.157   4.664
  255    H2*    C  24           H2*        C  24  -8.035 -12.516   2.460
  256   2HO*    C  24          2HO*        C  24 -10.586 -11.568   3.181
  257    H1*    C  24           H1*        C  24  -9.066 -10.036   3.042
  258   1H4     C  24          1H4         C  24  -3.037  -9.193   1.148
  259   2H4     C  24          2H4         C  24  -2.486  -9.470   2.785
  260    H5     C  24           H5         C  24  -3.864 -10.768   4.333
  261    H6     C  24           H6         C  24  -6.175 -11.316   4.942
  262   1H5*    U  25          1H5*        U  25 -10.586 -14.088   1.983
  263   2H5*    U  25          2H5*        U  25 -10.762 -15.852   1.919
  264    H4*    U  25           H4*        U  25 -10.786 -15.189  -0.349
  265    H3*    U  25           H3*        U  25  -8.056 -16.160   0.545
  266    H2*    U  25           H2*        U  25  -7.172 -15.713  -1.602
  267   2HO*    U  25          2HO*        U  25  -8.380 -15.736  -3.396
  268    H1*    U  25           H1*        U  25  -8.491 -13.354  -2.098
  269    H3     U  25           H3         U  25  -4.313 -11.816  -1.531
  270    H5     U  25           H5         U  25  -5.257 -13.440   2.246
  271    H6     U  25           H6         U  25  -7.353 -14.221   1.311
  272   1H5*    C  26          1H5*        C  26  -9.180 -17.949  -3.279
  273   2H5*    C  26          2H5*        C  26  -8.685 -19.653  -3.349
  274    H4*    C  26           H4*        C  26  -7.813 -18.400  -5.284
  275    H3*    C  26           H3*        C  26  -5.860 -19.472  -3.223
  276    H2*    C  26           H2*        C  26  -4.053 -18.638  -4.515
  277   2HO*    C  26          2HO*        C  26  -5.084 -17.547  -6.667
  278    H1*    C  26           H1*        C  26  -5.170 -16.228  -5.189
  279   1H4     C  26          1H4         C  26  -1.651 -15.094  -0.015
  280   2H4     C  26          2H4         C  26  -2.769 -15.986   0.993
  281    H5     C  26           H5         C  26  -4.759 -17.037   0.139
  282    H6     C  26           H6         C  26  -6.032 -17.589  -1.881
  283   1H5*    C  27          1H5*        C  27  -4.958 -20.595  -7.359
  284   2H5*    C  27          2H5*        C  27  -3.997 -22.079  -7.514
  285    H4*    C  27           H4*        C  27  -2.977 -19.983  -8.521
  286    H3*    C  27           H3*        C  27  -1.592 -21.715  -6.483
  287    H2*    C  27           H2*        C  27   0.333 -20.345  -6.583
  288   2HO*    C  27          2HO*        C  27  -0.474 -19.891  -9.075
  289    H1*    C  27           H1*        C  27  -0.952 -17.974  -6.407
  290   1H4     C  27          1H4         C  27   0.048 -20.058  -0.447
  291   2H4     C  27          2H4         C  27  -1.476 -20.914  -0.500
  292    H5     C  27           H5         C  27  -2.691 -21.284  -2.572
  293    H6     C  27           H6         C  27  -2.893 -20.634  -4.901
  294    H3T    C  27           H3T        C  27  -0.507 -21.386  -8.970
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   9.102 -16.281   2.142
    2   2H5*    G   1          2H5*        G   1  10.212 -17.307   1.210
    3    H4*    G   1           H4*        G   1   9.543 -16.148  -0.868
    4    H3*    G   1           H3*        G   1   8.307 -14.272   1.044
    5    H2*    G   1           H2*        G   1   6.126 -14.877   0.607
    6   2HO*    G   1          2HO*        G   1   6.029 -13.335  -0.948
    7    H1*    G   1           H1*        G   1   6.816 -16.553  -1.784
    8    H8     G   1           H8         G   1   5.787 -17.325   1.855
    9    H1     G   1           H1         G   1   1.311 -18.649  -2.497
   10   1H2     G   1          1H2         G   1   1.972 -17.932  -4.495
   11   2H2     G   1          2H2         G   1   3.600 -17.363  -4.786
   12    H5T    G   1           H5T        G   1  11.612 -15.765   1.223
   13   1H5*    G   2          1H5*        G   2   8.226 -13.770  -3.702
   14   2H5*    G   2          2H5*        G   2   8.433 -12.037  -4.026
   15    H4*    G   2           H4*        G   2   6.978 -12.704  -5.739
   16    H3*    G   2           H3*        G   2   5.406 -11.643  -3.367
   17    H2*    G   2           H2*        G   2   3.391 -12.065  -4.523
   18   2HO*    G   2          2HO*        G   2   3.961 -12.880  -6.927
   19    H1*    G   2           H1*        G   2   4.133 -14.439  -5.740
   20    H8     G   2           H8         G   2   5.192 -14.366  -2.124
   21    H1     G   2           H1         G   2  -1.003 -15.681  -2.823
   22   1H2     G   2          1H2         G   2  -1.585 -15.456  -4.960
   23   2H2     G   2          2H2         G   2  -0.518 -14.733  -6.142
   24   1H5*    A   3          1H5*        A   3   4.327  -9.730  -7.332
   25   2H5*    A   3          2H5*        A   3   4.192  -7.981  -7.066
   26    H4*    A   3           H4*        A   3   2.299  -8.731  -8.399
   27    H3*    A   3           H3*        A   3   1.713  -7.949  -5.522
   28    H2*    A   3           H2*        A   3  -0.596  -8.348  -5.919
   29   2HO*    A   3          2HO*        A   3   0.183  -8.278  -8.658
   30    H1*    A   3           H1*        A   3  -0.311 -10.674  -7.322
   31    H8     A   3           H8         A   3   2.169 -10.267  -4.447
   32   1H6     A   3          1H6         A   3  -2.144 -12.719  -0.810
   33   2H6     A   3          2H6         A   3  -0.544 -12.015  -0.852
   34    H2     A   3           H2         A   3  -3.982 -11.976  -4.847
   35   1H5*    G   4          1H5*        G   4  -0.961  -6.800  -8.118
   36   2H5*    G   4          2H5*        G   4  -1.112  -5.055  -8.404
   37    H4*    G   4           H4*        G   4  -3.334  -5.786  -8.483
   38    H3*    G   4           H3*        G   4  -2.676  -4.825  -5.661
   39    H2*    G   4           H2*        G   4  -4.952  -5.262  -5.072
   40   2HO*    G   4          2HO*        G   4  -5.969  -6.419  -7.239
   41    H1*    G   4           H1*        G   4  -4.965  -7.773  -5.990
   42    H8     G   4           H8         G   4  -1.457  -6.538  -5.057
   43    H1     G   4           H1         G   4  -4.751  -8.849  -0.151
   44   1H2     G   4          1H2         G   4  -6.820  -9.350  -0.775
   45   2H2     G   4          2H2         G   4  -7.438  -8.916  -2.354
   46   1H5*    C   5          1H5*        C   5  -5.894  -3.498  -6.013
   47   2H5*    C   5          2H5*        C   5  -6.243  -1.757  -5.981
   48    H4*    C   5           H4*        C   5  -7.578  -2.618  -4.239
   49    H3*    C   5           H3*        C   5  -4.954  -1.468  -3.276
   50    H2*    C   5           H2*        C   5  -5.324  -2.193  -1.092
   51   2HO*    C   5          2HO*        C   5  -8.037  -2.818  -1.428
   52    H1*    C   5           H1*        C   5  -6.841  -4.488  -1.607
   53   1H4     C   5          1H4         C   5  -1.141  -6.415   0.431
   54   2H4     C   5          2H4         C   5  -0.380  -5.850  -1.039
   55    H5     C   5           H5         C   5  -1.611  -4.847  -2.854
   56    H6     C   5           H6         C   5  -3.788  -3.971  -3.561
   57   1H5*    G   6          1H5*        G   6  -8.145  -0.124  -0.728
   58   2H5*    G   6          2H5*        G   6  -8.243   1.648  -0.762
   59    H4*    G   6           H4*        G   6  -8.404   1.151   1.530
   60    H3*    G   6           H3*        G   6  -5.564   1.826   0.721
   61    H2*    G   6           H2*        G   6  -4.793   1.394   2.899
   62   2HO*    G   6          2HO*        G   6  -7.456   1.326   3.903
   63    H1*    G   6           H1*        G   6  -6.524  -0.690   3.556
   64    H8     G   6           H8         G   6  -4.595  -0.591   0.215
   65    H1     G   6           H1         G   6  -1.652  -3.802   4.873
   66   1H2     G   6          1H2         G   6  -2.695  -3.403   6.819
   67   2H2     G   6          2H2         G   6  -4.365  -2.882   6.826
   68   1H5*    G   7          1H5*        G   7  -6.752   3.702   4.437
   69   2H5*    G   7          2H5*        G   7  -6.371   5.436   4.406
   70    H4*    G   7           H4*        G   7  -5.498   4.673   6.475
   71    H3*    G   7           H3*        G   7  -3.417   4.935   4.295
   72    H2*    G   7           H2*        G   7  -1.777   3.961   5.622
   73   2HO*    G   7          2HO*        G   7  -1.751   4.196   7.868
   74    H1*    G   7           H1*        G   7  -3.459   2.478   7.386
   75    H8     G   7           H8         G   7  -2.707   2.342   3.576
   76    H1     G   7           H1         G   7  -0.407  -2.543   6.967
   77   1H2     G   7          1H2         G   7  -0.543  -1.398   9.441
   78   2H2     G   7          2H2         G   7  -2.238  -1.824   9.364
   79   1H5*    G   8          1H5*        G   8  -2.215   6.777   8.331
   80   2H5*    G   8          2H5*        G   8  -1.885   8.473   7.924
   81    H4*    G   8           H4*        G   8  -0.245   7.682   9.556
   82    H3*    G   8           H3*        G   8   0.617   8.382   6.760
   83    H2*    G   8           H2*        G   8   2.819   7.572   7.077
   84   2HO*    G   8          2HO*        G   8   2.135   7.708   9.836
   85    H1*    G   8           H1*        G   8   2.272   5.271   8.342
   86    H8     G   8           H8         G   8  -0.650   5.754   6.077
   87    H1     G   8           H1         G   8   4.553   3.972   2.854
   88   1H2     G   8          1H2         G   8   6.359   4.249   4.124
   89   2H2     G   8          2H2         G   8   6.242   4.574   5.839
   90   1H5*    G   9          1H5*        G   9   3.755   9.864   9.268
   91   2H5*    G   9          2H5*        G   9   3.976  11.599   8.966
   92    H4*    G   9           H4*        G   9   6.135  10.490   8.812
   93    H3*    G   9           H3*        G   9   4.889  11.578   6.286
   94    H2*    G   9           H2*        G   9   6.652  10.697   4.948
   95   2HO*    G   9          2HO*        G   9   8.059   9.797   7.236
   96    H1*    G   9           H1*        G   9   6.793   8.262   6.016
   97    H8     G   9           H8         G   9   3.225   9.569   6.218
   98    H1     G   9           H1         G   9   4.628   6.814   0.648
   99   1H2     G   9          1H2         G   9   6.806   6.428   0.516
  100   2H2     G   9          2H2         G   9   7.916   6.876   1.791
  101   1H5*    G  10          1H5*        G  10   8.545  12.020   5.604
  102   2H5*    G  10          2H5*        G  10   9.140  13.681   5.407
  103    H4*    G  10           H4*        G  10   9.898  12.637   3.451
  104    H3*    G  10           H3*        G  10   7.237  14.014   2.986
  105    H2*    G  10           H2*        G  10   7.211  13.250   0.749
  106   2HO*    G  10          2HO*        G  10   9.289  12.092   0.038
  107    H1*    G  10           H1*        G  10   8.227  10.731   1.177
  108    H8     G  10           H8         G  10   5.657  12.047   3.704
  109    H1     G  10           H1         G  10   3.076   9.016  -1.266
  110   1H2     G  10          1H2         G  10   4.632   8.585  -2.785
  111   2H2     G  10          2H2         G  10   6.316   9.001  -2.553
  112   1H5*    U  11          1H5*        U  11   9.295  14.420  -0.169
  113   2H5*    U  11          2H5*        U  11   9.498  16.035  -0.875
  114    H4*    U  11           H4*        U  11   8.547  14.661  -2.592
  115    H3*    U  11           H3*        U  11   6.663  16.597  -1.244
  116    H2*    U  11           H2*        U  11   4.803  15.667  -2.256
  117   2HO*    U  11          2HO*        U  11   5.265  14.501  -4.411
  118    H1*    U  11           H1*        U  11   5.956  13.130  -3.026
  119    H3     U  11           H3         U  11   1.998  11.688  -1.487
  120    H5     U  11           H5         U  11   3.568  13.838   1.782
  121    H6     U  11           H6         U  11   5.445  14.474   0.378
  122   1H5*    G  12          1H5*        G  12   4.580  19.799  -2.966
  123   2H5*    G  12          2H5*        G  12   4.598  18.319  -1.986
  124    H4*    G  12           H4*        G  12   3.095  18.464  -4.615
  125    H3*    G  12           H3*        G  12   2.266  19.468  -1.874
  126    H2*    G  12           H2*        G  12   0.101  18.550  -2.188
  127   2HO*    G  12          2HO*        G  12   0.119  17.465  -4.600
  128    H1*    G  12           H1*        G  12   0.867  16.168  -3.278
  129    H8     G  12           H8         G  12   3.194  17.440  -0.537
  130    H1     G  12           H1         G  12  -1.906  14.345   1.705
  131   1H2     G  12          1H2         G  12  -3.392  14.067   0.054
  132   2H2     G  12          2H2         G  12  -2.882  14.146  -1.616
  133   1H5*    U  13          1H5*        U  13  -0.212  22.989  -4.181
  134   2H5*    U  13          2H5*        U  13  -0.476  23.882  -2.671
  135    H4*    U  13           H4*        U  13  -2.462  22.869  -2.283
  136    H3*    U  13           H3*        U  13  -0.869  20.507  -2.392
  137    H2*    U  13           H2*        U  13  -1.679  19.327  -4.202
  138   2HO*    U  13          2HO*        U  13  -3.834  19.564  -2.694
  139    H1*    U  13           H1*        U  13  -3.401  21.018  -5.553
  140    H3     U  13           H3         U  13  -0.598  21.518  -9.022
  141    H5     U  13           H5         U  13   1.984  20.566  -5.831
  142    H6     U  13           H6         U  13   0.071  20.643  -4.346
  143   1H5*    A  14          1H5*        A  14  -5.375  18.971  -0.361
  144   2H5*    A  14          2H5*        A  14  -5.025  17.237  -0.218
  145    H4*    A  14           H4*        A  14  -7.041  18.188  -1.732
  146    H3*    A  14           H3*        A  14  -5.267  15.760  -2.007
  147    H2*    A  14           H2*        A  14  -6.029  15.309  -4.171
  148   2HO*    A  14          2HO*        A  14  -8.084  16.421  -4.868
  149    H1*    A  14           H1*        A  14  -6.605  17.911  -5.028
  150    H8     A  14           H8         A  14  -3.120  17.485  -3.589
  151   1H6     A  14          1H6         A  14  -1.331  15.426  -9.032
  152   2H6     A  14          2H6         A  14  -0.809  16.590  -7.835
  153    H2     A  14           H2         A  14  -5.828  16.057  -9.211
  154   1H5*    A  15          1H5*        A  15  -9.287  12.612  -2.353
  155   2H5*    A  15          2H5*        A  15  -7.972  11.556  -1.797
  156    H4*    A  15           H4*        A  15  -9.120  11.350  -4.252
  157    H3*    A  15           H3*        A  15  -6.451  10.601  -3.112
  158    H2*    A  15           H2*        A  15  -5.391  10.374  -5.204
  159   2HO*    A  15          2HO*        A  15  -6.976  10.619  -7.143
  160    H1*    A  15           H1*        A  15  -6.399  12.508  -6.497
  161    H8     A  15           H8         A  15  -5.868  12.894  -2.695
  162   1H6     A  15          1H6         A  15  -0.337  15.176  -4.082
  163   2H6     A  15          2H6         A  15  -1.395  14.689  -2.778
  164    H2     A  15           H2         A  15  -2.230  13.717  -7.891
  165   1H5*    A  16          1H5*        A  16  -6.534   8.516  -6.375
  166   2H5*    A  16          2H5*        A  16  -6.102   6.810  -6.151
  167    H4*    A  16           H4*        A  16  -4.501   7.933  -7.651
  168    H3*    A  16           H3*        A  16  -3.563   6.968  -4.933
  169    H2*    A  16           H2*        A  16  -1.377   7.745  -5.398
  170   2HO*    A  16          2HO*        A  16  -1.752   8.619  -7.982
  171    H1*    A  16           H1*        A  16  -2.052  10.108  -6.611
  172    H8     A  16           H8         A  16  -4.272   9.325  -3.626
  173   1H6     A  16          1H6         A  16   0.058  11.912  -0.099
  174   2H6     A  16          2H6         A  16  -1.528  11.177  -0.112
  175    H2     A  16           H2         A  16   1.700  11.537  -4.267
  176   1H5*    C  17          1H5*        C  17  -0.857   5.665  -8.132
  177   2H5*    C  17          2H5*        C  17  -0.298   4.005  -7.843
  178    H4*    C  17           H4*        C  17   1.632   5.456  -8.195
  179    H3*    C  17           H3*        C  17   1.176   4.435  -5.369
  180    H2*    C  17           H2*        C  17   3.133   5.548  -4.667
  181   2HO*    C  17          2HO*        C  17   4.399   6.556  -6.626
  182    H1*    C  17           H1*        C  17   2.885   7.810  -6.251
  183   1H4     C  17          1H4         C  17   0.865   9.648  -0.528
  184   2H4     C  17          2H4         C  17  -0.354   8.395  -0.491
  185    H5     C  17           H5         C  17  -0.840   7.010  -2.405
  186    H6     C  17           H6         C  17  -0.011   6.236  -4.576
  187   1H5*    C  18          1H5*        C  18   5.316   3.780  -6.950
  188   2H5*    C  18          2H5*        C  18   5.744   2.083  -6.654
  189    H4*    C  18           H4*        C  18   7.656   3.433  -6.070
  190    H3*    C  18           H3*        C  18   6.095   2.234  -3.768
  191    H2*    C  18           H2*        C  18   7.520   3.295  -2.192
  192   2HO*    C  18          2HO*        C  18   9.215   4.067  -4.362
  193    H1*    C  18           H1*        C  18   7.668   5.733  -3.361
  194   1H4     C  18          1H4         C  18   2.649   6.055   0.534
  195   2H4     C  18          2H4         C  18   1.626   5.392  -0.721
  196    H5     C  18           H5         C  18   2.566   4.141  -2.581
  197    H6     C  18           H6         C  18   4.574   3.824  -3.951
  198   1H5*    U  19          1H5*        U  19   9.831   1.518  -2.878
  199   2H5*    U  19          2H5*        U  19  10.328  -0.090  -2.314
  200    H4*    U  19           H4*        U  19  10.754   1.449  -0.515
  201    H3*    U  19           H3*        U  19   8.374  -0.382  -0.197
  202    H2*    U  19           H2*        U  19   7.751   0.643   1.843
  203   2HO*    U  19          2HO*        U  19  10.257   2.025   1.819
  204    H1*    U  19           H1*        U  19   8.193   3.237   1.172
  205    H3     U  19           H3         U  19   3.695   2.928   1.193
  206    H5     U  19           H5         U  19   4.822   0.810  -2.273
  207    H6     U  19           H6         U  19   7.139   1.083  -1.607
  208   1H5*    A  20          1H5*        A  20   8.649  -3.679   3.142
  209   2H5*    A  20          2H5*        A  20   8.083  -2.107   2.538
  210    H4*    A  20           H4*        A  20   9.950  -2.109   4.885
  211    H3*    A  20           H3*        A  20   7.113  -3.180   4.920
  212    H2*    A  20           H2*        A  20   6.641  -1.954   6.877
  213   2HO*    A  20          2HO*        A  20   9.459  -1.545   7.172
  214    H1*    A  20           H1*        A  20   8.135   0.316   6.317
  215    H8     A  20           H8         A  20   6.023  -0.958   3.417
  216   1H6     A  20          1H6         A  20   1.316   1.347   5.537
  217   2H6     A  20          2H6         A  20   2.061   2.562   4.524
  218    H2     A  20           H2         A  20   4.808   2.494   8.668
  219   1H5*    U  21          1H5*        U  21   8.117  -4.122   8.910
  220   2H5*    U  21          2H5*        U  21   7.602  -5.797   9.195
  221    H4*    U  21           H4*        U  21   6.397  -4.276  10.697
  222    H3*    U  21           H3*        U  21   4.871  -5.697   8.502
  223    H2*    U  21           H2*        U  21   2.890  -4.585   9.065
  224   2HO*    U  21          2HO*        U  21   2.389  -4.567  11.112
  225    H1*    U  21           H1*        U  21   3.999  -2.196  10.072
  226    H3     U  21           H3         U  21   1.287  -0.627   6.845
  227    H5     U  21           H5         U  21   4.133  -2.891   4.713
  228    H6     U  21           H6         U  21   5.065  -3.599   6.838
  229   1H5*    C  22          1H5*        C  22   2.684  -6.460  12.056
  230   2H5*    C  22          2H5*        C  22   2.308  -8.183  12.255
  231    H4*    C  22           H4*        C  22   0.227  -6.954  12.359
  232    H3*    C  22           H3*        C  22   0.728  -8.492   9.790
  233    H2*    C  22           H2*        C  22  -1.331  -7.786   8.931
  234   2HO*    C  22          2HO*        C  22  -3.013  -7.046  10.278
  235    H1*    C  22           H1*        C  22  -1.386  -5.208  10.154
  236   1H4     C  22          1H4         C  22  -0.015  -4.130   4.039
  237   2H4     C  22          2H4         C  22   1.384  -5.179   4.113
  238    H5     C  22           H5         C  22   2.177  -6.145   6.175
  239    H6     C  22           H6         C  22   1.613  -6.627   8.509
  240   1H5*    G  23          1H5*        G  23  -3.093  -8.946  11.151
  241   2H5*    G  23          2H5*        G  23  -3.787 -10.571  10.991
  242    H4*    G  23           H4*        G  23  -5.201  -8.904   9.856
  243    H3*    G  23           H3*        G  23  -3.711 -10.924   8.140
  244    H2*    G  23           H2*        G  23  -4.673  -9.982   6.225
  245   2HO*    G  23          2HO*        G  23  -6.748  -9.462   8.001
  246    H1*    G  23           H1*        G  23  -4.938  -7.334   7.196
  247    H8     G  23           H8         G  23  -1.528  -9.085   7.190
  248    H1     G  23           H1         G  23  -2.867  -5.985   1.784
  249   1H2     G  23          1H2         G  23  -4.922  -5.138   1.899
  250   2H2     G  23          2H2         G  23  -6.061  -5.665   3.116
  251   1H5*    C  24          1H5*        C  24  -8.194 -10.684   7.406
  252   2H5*    C  24          2H5*        C  24  -8.771 -12.357   7.536
  253    H4*    C  24           H4*        C  24  -9.935 -11.569   5.665
  254    H3*    C  24           H3*        C  24  -7.387 -12.984   4.842
  255    H2*    C  24           H2*        C  24  -7.776 -12.465   2.583
  256   2HO*    C  24          2HO*        C  24 -10.447 -12.317   3.452
  257    H1*    C  24           H1*        C  24  -8.889  -9.951   2.903
  258   1H4     C  24          1H4         C  24  -2.812  -9.257   1.092
  259   2H4     C  24          2H4         C  24  -2.317  -9.295   2.769
  260    H5     C  24           H5         C  24  -3.710 -10.575   4.351
  261    H6     C  24           H6         C  24  -6.032 -11.092   4.949
  262   1H5*    U  25          1H5*        U  25 -10.610 -13.957   2.184
  263   2H5*    U  25          2H5*        U  25 -10.771 -15.721   2.078
  264    H4*    U  25           H4*        U  25 -10.794 -14.913  -0.174
  265    H3*    U  25           H3*        U  25  -8.146 -16.123   0.686
  266    H2*    U  25           H2*        U  25  -7.249 -15.686  -1.452
  267   2HO*    U  25          2HO*        U  25  -9.922 -15.882  -2.184
  268    H1*    U  25           H1*        U  25  -8.511 -13.259  -1.925
  269    H3     U  25           H3         U  25  -4.229 -11.917  -1.693
  270    H5     U  25           H5         U  25  -4.965 -13.463   2.161
  271    H6     U  25           H6         U  25  -7.155 -14.154   1.391
  272   1H5*    C  26          1H5*        C  26  -9.517 -17.488  -3.117
  273   2H5*    C  26          2H5*        C  26  -9.229 -19.214  -3.414
  274    H4*    C  26           H4*        C  26  -8.317 -17.842  -5.248
  275    H3*    C  26           H3*        C  26  -6.386 -19.347  -3.450
  276    H2*    C  26           H2*        C  26  -4.573 -18.547  -4.739
  277   2HO*    C  26          2HO*        C  26  -6.203 -17.359  -6.704
  278    H1*    C  26           H1*        C  26  -5.525 -15.993  -5.195
  279   1H4     C  26          1H4         C  26  -1.324 -15.643  -0.433
  280   2H4     C  26          2H4         C  26  -2.507 -16.264   0.695
  281    H5     C  26           H5         C  26  -4.615 -17.207  -0.009
  282    H6     C  26           H6         C  26  -6.142 -17.515  -1.902
  283   1H5*    C  27          1H5*        C  27  -5.416 -19.341  -7.264
  284   2H5*    C  27          2H5*        C  27  -5.594 -20.896  -8.101
  285    H4*    C  27           H4*        C  27  -3.672 -19.975  -9.066
  286    H3*    C  27           H3*        C  27  -2.998 -21.897  -6.854
  287    H2*    C  27           H2*        C  27  -0.694 -21.478  -7.084
  288   2HO*    C  27          2HO*        C  27   0.191 -20.499  -8.872
  289    H1*    C  27           H1*        C  27  -0.822 -18.781  -7.291
  290   1H4     C  27          1H4         C  27  -0.523 -19.788  -1.015
  291   2H4     C  27          2H4         C  27  -2.079 -20.587  -1.028
  292    H5     C  27           H5         C  27  -3.483 -20.656  -3.010
  293    H6     C  27           H6         C  27  -3.537 -20.359  -5.414
  294    H3T    C  27           H3T        C  27  -3.629 -22.069  -9.388
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  10.697 -16.560   1.628
    2   2H5*    G   1          2H5*        G   1  10.027 -15.142   2.460
    3    H4*    G   1           H4*        G   1   9.922 -15.330  -0.180
    4    H3*    G   1           H3*        G   1   8.194 -14.078   1.840
    5    H2*    G   1           H2*        G   1   6.167 -14.669   0.926
    6   2HO*    G   1          2HO*        G   1   7.366 -13.437  -1.346
    7    H1*    G   1           H1*        G   1   7.222 -15.847  -1.589
    8    H8     G   1           H8         G   1   6.308 -17.587   1.712
    9    H1     G   1           H1         G   1   1.836 -18.058  -2.813
   10   1H2     G   1          1H2         G   1   2.414 -16.841  -4.577
   11   2H2     G   1          2H2         G   1   3.868 -15.869  -4.612
   12    H5T    G   1           H5T        G   1   9.420 -17.609   2.906
   13   1H5*    G   2          1H5*        G   2   8.679 -12.049  -2.469
   14   2H5*    G   2          2H5*        G   2   8.516 -10.293  -2.270
   15    H4*    G   2           H4*        G   2   7.353 -10.972  -4.298
   16    H3*    G   2           H3*        G   2   5.622 -10.149  -1.940
   17    H2*    G   2           H2*        G   2   3.695 -10.473  -3.266
   18   2HO*    G   2          2HO*        G   2   3.803  -9.811  -5.269
   19    H1*    G   2           H1*        G   2   4.552 -12.724  -4.629
   20    H8     G   2           H8         G   2   5.224 -12.624  -0.861
   21    H1     G   2           H1         G   2  -0.570 -14.802  -2.390
   22   1H2     G   2          1H2         G   2  -0.920 -14.554  -4.567
   23   2H2     G   2          2H2         G   2   0.282 -13.869  -5.639
   24   1H5*    A   3          1H5*        A   3   4.991  -7.812  -5.818
   25   2H5*    A   3          2H5*        A   3   4.508  -6.145  -5.446
   26    H4*    A   3           H4*        A   3   3.014  -7.147  -7.133
   27    H3*    A   3           H3*        A   3   1.868  -6.528  -4.383
   28    H2*    A   3           H2*        A   3  -0.271  -7.200  -5.198
   29   2HO*    A   3          2HO*        A   3   0.170  -7.944  -7.710
   30    H1*    A   3           H1*        A   3   0.559  -9.463  -6.448
   31    H8     A   3           H8         A   3   2.481  -8.670  -3.239
   32   1H6     A   3          1H6         A   3  -2.089 -10.941  -0.081
   33   2H6     A   3          2H6         A   3  -0.400 -11.384  -0.178
   34    H2     A   3           H2         A   3  -3.238 -11.239  -4.520
   35   1H5*    G   4          1H5*        G   4  -0.715  -5.644  -7.264
   36   2H5*    G   4          2H5*        G   4  -0.985  -3.899  -7.441
   37    H4*    G   4           H4*        G   4  -3.136  -4.776  -7.710
   38    H3*    G   4           H3*        G   4  -2.713  -3.981  -4.796
   39    H2*    G   4           H2*        G   4  -4.960  -4.657  -4.352
   40   2HO*    G   4          2HO*        G   4  -6.371  -4.490  -5.932
   41    H1*    G   4           H1*        G   4  -4.715  -7.084  -5.438
   42    H8     G   4           H8         G   4  -1.375  -5.589  -4.269
   43    H1     G   4           H1         G   4  -4.558  -8.647   0.284
   44   1H2     G   4          1H2         G   4  -6.569  -9.244  -0.442
   45   2H2     G   4          2H2         G   4  -7.127  -8.863  -2.056
   46   1H5*    C   5          1H5*        C   5  -6.038  -2.830  -5.244
   47   2H5*    C   5          2H5*        C   5  -6.490  -1.118  -5.100
   48    H4*    C   5           H4*        C   5  -7.850  -2.163  -3.491
   49    H3*    C   5           H3*        C   5  -5.313  -1.021  -2.302
   50    H2*    C   5           H2*        C   5  -5.797  -1.917  -0.199
   51   2HO*    C   5          2HO*        C   5  -7.801  -1.333   0.309
   52    H1*    C   5           H1*        C   5  -7.127  -4.238  -0.992
   53   1H4     C   5          1H4         C   5  -1.395  -5.922   1.182
   54   2H4     C   5          2H4         C   5  -0.622  -5.260  -0.242
   55    H5     C   5           H5         C   5  -1.825  -4.117  -1.988
   56    H6     C   5           H6         C   5  -4.025  -3.327  -2.730
   57   1H5*    G   6          1H5*        G   6  -8.723   0.180   0.264
   58   2H5*    G   6          2H5*        G   6  -8.714   1.954   0.289
   59    H4*    G   6           H4*        G   6  -9.016   1.337   2.554
   60    H3*    G   6           H3*        G   6  -6.156   2.060   1.878
   61    H2*    G   6           H2*        G   6  -5.443   1.526   4.058
   62   2HO*    G   6          2HO*        G   6  -6.695   1.832   5.765
   63    H1*    G   6           H1*        G   6  -7.084  -0.649   4.528
   64    H8     G   6           H8         G   6  -5.253  -0.228   1.158
   65    H1     G   6           H1         G   6  -2.089  -3.689   5.477
   66   1H2     G   6          1H2         G   6  -3.141  -3.605   7.433
   67   2H2     G   6          2H2         G   6  -4.728  -2.891   7.605
   68   1H5*    G   7          1H5*        G   7  -6.870   3.627   5.536
   69   2H5*    G   7          2H5*        G   7  -6.572   5.374   5.631
   70    H4*    G   7           H4*        G   7  -5.278   4.529   7.398
   71    H3*    G   7           H3*        G   7  -3.621   4.885   4.888
   72    H2*    G   7           H2*        G   7  -1.800   3.830   5.864
   73   2HO*    G   7          2HO*        G   7  -1.656   3.883   8.289
   74    H1*    G   7           H1*        G   7  -3.228   2.430   7.951
   75    H8     G   7           H8         G   7  -2.955   2.085   4.091
   76    H1     G   7           H1         G   7  -0.210  -2.608   7.425
   77   1H2     G   7          2H2         G   7   0.004  -1.460   9.770
   78   2H2     G   7          1H2         G   7  -1.718  -1.592  10.053
   79   1H5*    G   8          1H5*        G   8  -1.847   6.656   8.733
   80   2H5*    G   8          2H5*        G   8  -1.395   8.320   8.313
   81    H4*    G   8           H4*        G   8   0.334   7.283   9.716
   82    H3*    G   8           H3*        G   8   0.900   8.102   6.882
   83    H2*    G   8           H2*        G   8   3.019   7.065   6.823
   84   2HO*    G   8          2HO*        G   8   4.110   7.475   8.614
   85    H1*    G   8           H1*        G   8   2.456   4.757   8.099
   86    H8     G   8           H8         G   8  -0.640   5.652   6.178
   87    H1     G   8           H1         G   8   3.933   3.270   2.428
   88   1H2     G   8          1H2         G   8   5.814   3.026   3.607
   89   2H2     G   8          2H2         G   8   6.028   3.821   5.151
   90   1H5*    G   9          1H5*        G   9   4.381   9.438   9.174
   91   2H5*    G   9          2H5*        G   9   4.654  11.163   8.860
   92    H4*    G   9           H4*        G   9   6.729   9.932   8.495
   93    H3*    G   9           H3*        G   9   5.319  11.200   6.153
   94    H2*    G   9           H2*        G   9   6.804  10.230   4.579
   95   2HO*    G   9          2HO*        G   9   8.446   9.211   6.660
   96    H1*    G   9           H1*        G   9   6.940   7.751   5.567
   97    H8     G   9           H8         G   9   3.524   9.343   6.190
   98    H1     G   9           H1         G   9   4.052   6.493   0.510
   99   1H2     G   9          1H2         G   9   6.141   5.705   0.274
  100   2H2     G   9          2H2         G   9   7.447   6.398   1.206
  101   1H5*    G  10          1H5*        G  10   8.947  11.315   5.102
  102   2H5*    G  10          2H5*        G  10   9.661  12.918   4.838
  103    H4*    G  10           H4*        G  10  10.114  11.825   2.816
  104    H3*    G  10           H3*        G  10   7.523  13.397   2.609
  105    H2*    G  10           H2*        G  10   7.279  12.668   0.376
  106   2HO*    G  10          2HO*        G  10  10.052  12.021   0.557
  107    H1*    G  10           H1*        G  10   8.259  10.093   0.705
  108    H8     G  10           H8         G  10   5.768  11.511   3.265
  109    H1     G  10           H1         G  10   3.030   8.457  -1.608
  110   1H2     G  10          1H2         G  10   4.570   7.880  -3.104
  111   2H2     G  10          2H2         G  10   6.231   8.418  -2.987
  112   1H5*    U  11          1H5*        U  11   9.326  13.771  -0.774
  113   2H5*    U  11          2H5*        U  11   9.631  15.428  -1.327
  114    H4*    U  11           H4*        U  11   8.485  14.405  -3.130
  115    H3*    U  11           H3*        U  11   6.706  16.109  -1.374
  116    H2*    U  11           H2*        U  11   4.798  15.410  -2.497
  117   2HO*    U  11          2HO*        U  11   5.208  16.102  -4.523
  118    H1*    U  11           H1*        U  11   5.835  12.969  -3.608
  119    H3     U  11           H3         U  11   1.942  11.431  -2.010
  120    H5     U  11           H5         U  11   3.739  13.178   1.381
  121    H6     U  11           H6         U  11   5.557  13.920  -0.047
  122   1H5*    G  12          1H5*        G  12   4.698  19.679  -2.359
  123   2H5*    G  12          2H5*        G  12   4.847  17.990  -1.836
  124    H4*    G  12           H4*        G  12   3.448  18.585  -4.433
  125    H3*    G  12           H3*        G  12   2.413  19.220  -1.656
  126    H2*    G  12           H2*        G  12   0.304  18.287  -2.204
  127   2HO*    G  12          2HO*        G  12  -0.254  17.786  -4.370
  128    H1*    G  12           H1*        G  12   1.197  16.076  -3.532
  129    H8     G  12           H8         G  12   3.341  17.077  -0.532
  130    H1     G  12           H1         G  12  -1.688  13.484   1.023
  131   1H2     G  12          1H2         G  12  -3.049  13.293  -0.726
  132   2H2     G  12          2H2         G  12  -2.539  13.743  -2.337
  133   1H5*    U  13          1H5*        U  13  -0.014  22.868  -3.945
  134   2H5*    U  13          2H5*        U  13  -0.502  23.640  -2.423
  135    H4*    U  13           H4*        U  13  -2.513  22.612  -2.416
  136    H3*    U  13           H3*        U  13  -0.894  20.262  -2.422
  137    H2*    U  13           H2*        U  13  -1.422  19.187  -4.397
  138   2HO*    U  13          2HO*        U  13  -4.008  19.841  -3.494
  139    H1*    U  13           H1*        U  13  -2.932  20.954  -5.893
  140    H3     U  13           H3         U  13   0.359  21.683  -8.860
  141    H5     U  13           H5         U  13   2.444  20.573  -5.370
  142    H6     U  13           H6         U  13   0.325  20.530  -4.197
  143   1H5*    A  14          1H5*        A  14  -5.126  18.251  -0.246
  144   2H5*    A  14          2H5*        A  14  -4.679  16.550  -0.487
  145    H4*    A  14           H4*        A  14  -6.621  17.933  -1.914
  146    H3*    A  14           H3*        A  14  -5.076  15.365  -2.351
  147    H2*    A  14           H2*        A  14  -5.759  15.247  -4.576
  148   2HO*    A  14          2HO*        A  14  -8.066  16.154  -3.466
  149    H1*    A  14           H1*        A  14  -6.244  18.019  -5.029
  150    H8     A  14           H8         A  14  -2.682  17.354  -4.096
  151   1H6     A  14          1H6         A  14  -1.595  16.240 -10.007
  152   2H6     A  14          2H6         A  14  -0.932  15.905  -8.423
  153    H2     A  14           H2         A  14  -6.080  16.202  -9.395
  154   1H5*    A  15          1H5*        A  15  -9.564  12.155  -2.895
  155   2H5*    A  15          2H5*        A  15  -8.002  11.498  -2.375
  156    H4*    A  15           H4*        A  15  -9.222  11.179  -4.893
  157    H3*    A  15           H3*        A  15  -6.559  10.511  -3.649
  158    H2*    A  15           H2*        A  15  -5.495  10.245  -5.744
  159   2HO*    A  15          2HO*        A  15  -8.144  10.240  -6.826
  160    H1*    A  15           H1*        A  15  -6.478  12.401  -7.015
  161    H8     A  15           H8         A  15  -5.957  12.611  -3.188
  162   1H6     A  15          1H6         A  15  -0.648  15.356  -4.431
  163   2H6     A  15          2H6         A  15  -1.384  14.333  -3.219
  164    H2     A  15           H2         A  15  -2.392  13.880  -8.347
  165   1H5*    A  16          1H5*        A  16  -6.704   8.272  -6.706
  166   2H5*    A  16          2H5*        A  16  -6.302   6.557  -6.491
  167    H4*    A  16           H4*        A  16  -4.721   7.580  -8.049
  168    H3*    A  16           H3*        A  16  -3.697   6.785  -5.305
  169    H2*    A  16           H2*        A  16  -1.523   7.533  -5.901
  170   2HO*    A  16          2HO*        A  16  -0.837   7.552  -7.930
  171    H1*    A  16           H1*        A  16  -2.251   9.845  -7.142
  172    H8     A  16           H8         A  16  -4.464   9.165  -4.133
  173   1H6     A  16          1H6         A  16  -0.019  11.600  -0.636
  174   2H6     A  16          2H6         A  16  -1.700  11.119  -0.683
  175    H2     A  16           H2         A  16   1.553  11.233  -4.833
  176   1H5*    C  17          1H5*        C  17  -1.215   5.769  -8.273
  177   2H5*    C  17          2H5*        C  17  -0.689   4.081  -8.423
  178    H4*    C  17           H4*        C  17   1.305   5.351  -8.612
  179    H3*    C  17           H3*        C  17   0.889   4.231  -5.822
  180    H2*    C  17           H2*        C  17   2.919   5.223  -5.126
  181   2HO*    C  17          2HO*        C  17   4.146   6.312  -7.064
  182    H1*    C  17           H1*        C  17   2.691   7.588  -6.526
  183   1H4     C  17          2H4         C  17   0.934   8.274  -0.403
  184   2H4     C  17          1H4         C  17  -0.703   8.479  -0.981
  185    H5     C  17           H5         C  17  -1.079   6.614  -2.769
  186    H6     C  17           H6         C  17  -0.271   5.992  -4.996
  187   1H5*    C  18          1H5*        C  18   4.848   3.775  -7.134
  188   2H5*    C  18          2H5*        C  18   5.213   2.052  -7.354
  189    H4*    C  18           H4*        C  18   7.187   2.860  -6.397
  190    H3*    C  18           H3*        C  18   5.334   1.729  -4.282
  191    H2*    C  18           H2*        C  18   6.862   2.356  -2.571
  192   2HO*    C  18          2HO*        C  18   8.665   2.343  -4.709
  193    H1*    C  18           H1*        C  18   7.464   4.839  -3.482
  194   1H4     C  18          1H4         C  18   2.429   5.767   0.293
  195   2H4     C  18          2H4         C  18   1.354   5.210  -0.968
  196    H5     C  18           H5         C  18   2.138   4.095  -2.958
  197    H6     C  18           H6         C  18   4.109   3.561  -4.313
  198   1H5*    U  19          1H5*        U  19   8.924  -0.428  -3.415
  199   2H5*    U  19          2H5*        U  19   8.503  -1.903  -2.520
  200    H4*    U  19           H4*        U  19   9.531  -0.004  -1.150
  201    H3*    U  19           H3*        U  19   6.942  -1.430  -0.522
  202    H2*    U  19           H2*        U  19   6.519  -0.019   1.323
  203   2HO*    U  19          2HO*        U  19   8.523  -0.061   2.323
  204    H1*    U  19           H1*        U  19   7.369   2.352   0.256
  205    H3     U  19           H3         U  19   2.847   2.539   0.742
  206    H5     U  19           H5         U  19   3.458   0.422  -2.852
  207    H6     U  19           H6         U  19   5.831   0.370  -2.340
  208   1H5*    A  20          1H5*        A  20   8.355  -5.264   2.101
  209   2H5*    A  20          2H5*        A  20   6.668  -4.865   2.480
  210    H4*    A  20           H4*        A  20   9.191  -3.617   3.444
  211    H3*    A  20           H3*        A  20   6.392  -4.139   4.496
  212    H2*    A  20           H2*        A  20   6.583  -2.323   5.989
  213   2HO*    A  20          2HO*        A  20   8.496  -2.406   6.958
  214    H1*    A  20           H1*        A  20   7.915  -0.571   4.341
  215    H8     A  20           H8         A  20   5.211  -2.372   2.418
  216   1H6     A  20          2H6         A  20   1.217   1.718   4.704
  217   2H6     A  20          1H6         A  20   1.388   0.306   3.686
  218    H2     A  20           H2         A  20   5.132   2.239   6.854
  219   1H5*    U  21          1H5*        U  21   7.876  -4.523   8.318
  220   2H5*    U  21          2H5*        U  21   7.598  -6.207   8.803
  221    H4*    U  21           H4*        U  21   6.385  -4.931  10.385
  222    H3*    U  21           H3*        U  21   4.644  -6.027   8.162
  223    H2*    U  21           H2*        U  21   2.757  -4.939   9.042
  224   2HO*    U  21          2HO*        U  21   3.891  -4.131  11.454
  225    H1*    U  21           H1*        U  21   4.012  -2.660  10.058
  226    H3     U  21           H3         U  21   1.491  -0.605   6.992
  227    H5     U  21           H5         U  21   3.609  -3.438   4.700
  228    H6     U  21           H6         U  21   4.619  -4.246   6.752
  229   1H5*    C  22          1H5*        C  22   2.828  -7.061  11.942
  230   2H5*    C  22          2H5*        C  22   2.354  -8.771  12.005
  231    H4*    C  22           H4*        C  22   0.429  -7.430  12.615
  232    H3*    C  22           H3*        C  22   0.376  -8.722   9.873
  233    H2*    C  22           H2*        C  22  -1.738  -7.803   9.427
  234   2HO*    C  22          2HO*        C  22  -1.975  -7.068  12.188
  235    H1*    C  22           H1*        C  22  -1.354  -5.316  10.735
  236   1H4     C  22          1H4         C  22  -0.550  -4.146   4.528
  237   2H4     C  22          2H4         C  22   0.937  -5.068   4.506
  238    H5     C  22           H5         C  22   1.786  -6.250   6.424
  239    H6     C  22           H6         C  22   1.385  -6.820   8.773
  240   1H5*    G  23          1H5*        G  23  -3.357  -9.522  11.444
  241   2H5*    G  23          2H5*        G  23  -3.889 -11.175  11.071
  242    H4*    G  23           H4*        G  23  -5.430  -9.517  10.092
  243    H3*    G  23           H3*        G  23  -3.725 -11.193   8.217
  244    H2*    G  23           H2*        G  23  -4.705 -10.126   6.377
  245   2HO*    G  23          2HO*        G  23  -6.743  -8.735   7.503
  246    H1*    G  23           H1*        G  23  -5.175  -7.622   7.583
  247    H8     G  23           H8         G  23  -1.644  -9.095   7.668
  248    H1     G  23           H1         G  23  -2.948  -5.808   2.363
  249   1H2     G  23          1H2         G  23  -5.075  -5.170   2.383
  250   2H2     G  23          2H2         G  23  -6.214  -5.765   3.570
  251   1H5*    C  24          1H5*        C  24  -8.221 -11.304   7.415
  252   2H5*    C  24          2H5*        C  24  -8.641 -13.014   7.187
  253    H4*    C  24           H4*        C  24  -9.811 -11.893   5.464
  254    H3*    C  24           H3*        C  24  -7.196 -13.088   4.489
  255    H2*    C  24           H2*        C  24  -7.629 -12.258   2.318
  256   2HO*    C  24          2HO*        C  24  -9.624 -12.405   1.641
  257    H1*    C  24           H1*        C  24  -8.683  -9.823   3.035
  258   1H4     C  24          1H4         C  24  -2.539  -8.971   1.570
  259   2H4     C  24          2H4         C  24  -2.118  -9.215   3.249
  260    H5     C  24           H5         C  24  -3.577 -10.705   4.585
  261    H6     C  24           H6         C  24  -5.925 -11.283   5.003
  262   1H5*    U  25          1H5*        U  25 -10.358 -14.040   1.660
  263   2H5*    U  25          2H5*        U  25 -10.408 -15.806   1.480
  264    H4*    U  25           H4*        U  25 -10.480 -14.950  -0.738
  265    H3*    U  25           H3*        U  25  -7.732 -15.924   0.098
  266    H2*    U  25           H2*        U  25  -6.851 -15.304  -2.011
  267   2HO*    U  25          2HO*        U  25  -9.533 -15.531  -2.776
  268    H1*    U  25           H1*        U  25  -8.160 -12.920  -2.303
  269    H3     U  25           H3         U  25  -3.947 -11.549  -1.483
  270    H5     U  25           H5         U  25  -5.109 -13.351   2.147
  271    H6     U  25           H6         U  25  -7.185 -14.004   1.080
  272   1H5*    C  26          1H5*        C  26  -8.843 -17.235  -3.800
  273   2H5*    C  26          2H5*        C  26  -8.385 -18.913  -4.158
  274    H4*    C  26           H4*        C  26  -7.543 -17.369  -5.893
  275    H3*    C  26           H3*        C  26  -5.578 -18.834  -4.107
  276    H2*    C  26           H2*        C  26  -3.762 -17.804  -5.213
  277   2HO*    C  26          2HO*        C  26  -5.281 -16.498  -7.159
  278    H1*    C  26           H1*        C  26  -4.836 -15.295  -5.488
  279   1H4     C  26          1H4         C  26  -1.215 -15.122  -0.264
  280   2H4     C  26          2H4         C  26  -2.417 -16.016   0.641
  281    H5     C  26           H5         C  26  -4.418 -16.915  -0.353
  282    H6     C  26           H6         C  26  -5.713 -17.129  -2.425
  283   1H5*    C  27          1H5*        C  27  -4.950 -18.842  -8.215
  284   2H5*    C  27          2H5*        C  27  -4.317 -20.278  -9.045
  285    H4*    C  27           H4*        C  27  -3.039 -18.270  -9.645
  286    H3*    C  27           H3*        C  27  -1.702 -20.452  -8.062
  287    H2*    C  27           H2*        C  27   0.334 -19.259  -8.029
  288   2HO*    C  27          2HO*        C  27   0.786 -17.604  -9.402
  289    H1*    C  27           H1*        C  27  -0.690 -16.845  -7.373
  290   1H4     C  27          1H4         C  27   0.304 -19.848  -1.835
  291   2H4     C  27          2H4         C  27  -1.159 -20.780  -2.057
  292    H5     C  27           H5         C  27  -2.468 -20.714  -4.093
  293    H6     C  27           H6         C  27  -2.713 -19.674  -6.270
  294    H3T    C  27           H3T        C  27  -1.880 -19.536 -10.728
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  10.018 -17.728   0.035
    2   2H5*    G   1          2H5*        G   1   9.060 -19.224   0.013
    3    H4*    G   1           H4*        G   1   9.743 -17.961  -2.621
    4    H3*    G   1           H3*        G   1   8.233 -16.575  -0.498
    5    H2*    G   1           H2*        G   1   6.123 -17.012  -1.307
    6   2HO*    G   1          2HO*        G   1   7.366 -15.723  -3.465
    7    H1*    G   1           H1*        G   1   6.955 -18.339  -3.828
    8    H8     G   1           H8         G   1   6.158 -19.999  -0.471
    9    H1     G   1           H1         G   1   1.274 -20.016  -4.571
   10   1H2     G   1          1H2         G   1   1.774 -18.790  -6.350
   11   2H2     G   1          2H2         G   1   3.340 -18.039  -6.565
   12    H5T    G   1           H5T        G   1  11.095 -19.919  -0.140
   13   1H5*    G   2          1H5*        G   2   8.298 -14.535  -4.757
   14   2H5*    G   2          2H5*        G   2   8.295 -12.773  -4.542
   15    H4*    G   2           H4*        G   2   6.716 -13.358  -6.298
   16    H3*    G   2           H3*        G   2   5.535 -12.437  -3.654
   17    H2*    G   2           H2*        G   2   3.365 -12.647  -4.565
   18   2HO*    G   2          2HO*        G   2   3.076 -12.930  -6.864
   19    H1*    G   2           H1*        G   2   3.788 -14.945  -6.038
   20    H8     G   2           H8         G   2   5.309 -15.099  -2.565
   21    H1     G   2           H1         G   2  -0.940 -16.363  -2.629
   22   1H2     G   2          1H2         G   2  -1.804 -15.577  -4.588
   23   2H2     G   2          2H2         G   2  -0.773 -15.663  -5.997
   24   1H5*    A   3          1H5*        A   3   4.163 -10.120  -7.317
   25   2H5*    A   3          2H5*        A   3   3.967  -8.408  -6.894
   26    H4*    A   3           H4*        A   3   2.003  -9.255  -8.132
   27    H3*    A   3           H3*        A   3   1.662  -8.452  -5.219
   28    H2*    A   3           H2*        A   3  -0.666  -8.908  -5.404
   29   2HO*    A   3          2HO*        A   3  -0.547  -9.561  -8.136
   30    H1*    A   3           H1*        A   3  -0.441 -11.258  -6.768
   31    H8     A   3           H8         A   3   2.324 -10.773  -4.191
   32   1H6     A   3          1H6         A   3  -1.606 -12.945   0.013
   33   2H6     A   3          2H6         A   3   0.079 -12.631  -0.333
   34    H2     A   3           H2         A   3  -3.835 -12.475  -3.858
   35   1H5*    G   4          1H5*        G   4  -1.183  -7.227  -7.742
   36   2H5*    G   4          2H5*        G   4  -1.537  -5.492  -7.848
   37    H4*    G   4           H4*        G   4  -3.652  -6.574  -7.855
   38    H3*    G   4           H3*        G   4  -2.950  -5.465  -5.097
   39    H2*    G   4           H2*        G   4  -5.132  -6.142  -4.383
   40   2HO*    G   4          2HO*        G   4  -6.533  -7.210  -5.981
   41    H1*    G   4           H1*        G   4  -4.902  -8.661  -5.262
   42    H8     G   4           H8         G   4  -1.507  -7.070  -4.508
   43    H1     G   4           H1         G   4  -4.377  -9.478   0.615
   44   1H2     G   4          1H2         G   4  -6.460 -10.064   0.131
   45   2H2     G   4          2H2         G   4  -7.088  -9.999  -1.500
   46   1H5*    C   5          1H5*        C   5  -6.350  -4.454  -5.348
   47   2H5*    C   5          2H5*        C   5  -6.851  -2.752  -5.270
   48    H4*    C   5           H4*        C   5  -8.002  -3.789  -3.477
   49    H3*    C   5           H3*        C   5  -5.501  -2.309  -2.649
   50    H2*    C   5           H2*        C   5  -5.654  -3.070  -0.452
   51   2HO*    C   5          2HO*        C   5  -7.700  -3.832   0.399
   52    H1*    C   5           H1*        C   5  -6.926  -5.531  -0.893
   53   1H4     C   5          1H4         C   5  -0.947  -6.639   0.980
   54   2H4     C   5          2H4         C   5  -0.340  -6.200  -0.601
   55    H5     C   5           H5         C   5  -1.740  -5.278  -2.344
   56    H6     C   5           H6         C   5  -4.032  -4.680  -2.969
   57   1H5*    G   6          1H5*        G   6  -8.892  -1.337   0.122
   58   2H5*    G   6          2H5*        G   6  -9.122   0.416  -0.046
   59    H4*    G   6           H4*        G   6  -9.280   0.068   2.276
   60    H3*    G   6           H3*        G   6  -6.501   0.938   1.438
   61    H2*    G   6           H2*        G   6  -5.722   0.743   3.656
   62   2HO*    G   6          2HO*        G   6  -8.490   0.814   4.345
   63    H1*    G   6           H1*        G   6  -7.135  -1.508   4.401
   64    H8     G   6           H8         G   6  -5.421  -1.293   0.950
   65    H1     G   6           H1         G   6  -1.850  -3.938   5.520
   66   1H2     G   6          1H2         G   6  -2.859  -3.736   7.484
   67   2H2     G   6          2H2         G   6  -4.511  -3.176   7.625
   68   1H5*    G   7          1H5*        G   7  -7.489   2.773   5.074
   69   2H5*    G   7          2H5*        G   7  -7.292   4.535   4.967
   70    H4*    G   7           H4*        G   7  -6.087   3.896   6.916
   71    H3*    G   7           H3*        G   7  -4.363   4.388   4.486
   72    H2*    G   7           H2*        G   7  -2.471   3.554   5.523
   73   2HO*    G   7          2HO*        G   7  -2.376   3.682   7.941
   74    H1*    G   7           H1*        G   7  -3.755   2.046   7.615
   75    H8     G   7           H8         G   7  -3.487   1.608   3.768
   76    H1     G   7           H1         G   7  -0.027  -2.507   7.196
   77   1H2     G   7          1H2         G   7   0.001  -1.748   9.377
   78   2H2     G   7          2H2         G   7  -1.524  -1.102   9.939
   79   1H5*    G   8          1H5*        G   8  -2.929   6.184   8.358
   80   2H5*    G   8          2H5*        G   8  -2.730   7.922   8.055
   81    H4*    G   8           H4*        G   8  -0.919   7.103   9.485
   82    H3*    G   8           H3*        G   8  -0.324   8.079   6.698
   83    H2*    G   8           H2*        G   8   1.945   7.432   6.824
   84   2HO*    G   8          2HO*        G   8   1.863   6.624   9.504
   85    H1*    G   8           H1*        G   8   1.665   5.028   8.020
   86    H8     G   8           H8         G   8  -1.326   5.388   5.809
   87    H1     G   8           H1         G   8   3.959   4.077   2.489
   88   1H2     G   8          1H2         G   8   5.733   4.178   3.834
   89   2H2     G   8          2H2         G   8   5.641   4.908   5.421
   90   1H5*    G   9          1H5*        G   9   2.578   9.652   9.371
   91   2H5*    G   9          2H5*        G   9   2.817  11.405   9.223
   92    H4*    G   9           H4*        G   9   4.976  10.283   9.099
   93    H3*    G   9           H3*        G   9   3.876  11.637   6.639
   94    H2*    G   9           H2*        G   9   5.664  10.852   5.289
   95   2HO*    G   9          2HO*        G   9   7.525   9.881   6.235
   96    H1*    G   9           H1*        G   9   5.778   8.326   6.147
   97    H8     G   9           H8         G   9   2.202   9.666   6.231
   98    H1     G   9           H1         G   9   3.934   7.289   0.572
   99   1H2     G   9          1H2         G   9   6.084   6.709   0.627
  100   2H2     G   9          2H2         G   9   7.146   7.254   1.906
  101   1H5*    G  10          1H5*        G  10   7.640  11.947   6.328
  102   2H5*    G  10          2H5*        G  10   8.338  13.576   6.220
  103    H4*    G  10           H4*        G  10   9.198  12.481   4.319
  104    H3*    G  10           H3*        G  10   6.728  14.114   3.653
  105    H2*    G  10           H2*        G  10   6.878  13.429   1.399
  106   2HO*    G  10          2HO*        G  10   9.475  12.356   1.897
  107    H1*    G  10           H1*        G  10   7.727  10.825   1.835
  108    H8     G  10           H8         G  10   4.856  12.242   3.959
  109    H1     G  10           H1         G  10   2.949   9.449  -1.437
  110   1H2     G  10          1H2         G  10   4.722   9.072  -2.751
  111   2H2     G  10          2H2         G  10   6.343   9.066  -2.093
  112   1H5*    U  11          1H5*        U  11   9.228  14.680   0.681
  113   2H5*    U  11          2H5*        U  11   9.504  16.371   0.216
  114    H4*    U  11           H4*        U  11   8.715  15.235  -1.746
  115    H3*    U  11           H3*        U  11   6.699  17.012  -0.356
  116    H2*    U  11           H2*        U  11   4.994  16.304  -1.763
  117   2HO*    U  11          2HO*        U  11   6.314  17.045  -3.609
  118    H1*    U  11           H1*        U  11   6.173  13.825  -2.630
  119    H3     U  11           H3         U  11   2.026  12.381  -1.712
  120    H5     U  11           H5         U  11   3.250  14.143   1.919
  121    H6     U  11           H6         U  11   5.301  14.830   0.818
  122   1H5*    G  12          1H5*        G  12   4.966  20.677  -1.999
  123   2H5*    G  12          2H5*        G  12   4.898  19.081  -1.224
  124    H4*    G  12           H4*        G  12   3.929  19.507  -4.067
  125    H3*    G  12           H3*        G  12   2.518  20.121  -1.453
  126    H2*    G  12           H2*        G  12   0.520  19.153  -2.292
  127   2HO*    G  12          2HO*        G  12   1.108  18.387  -4.769
  128    H1*    G  12           H1*        G  12   1.637  16.959  -3.473
  129    H8     G  12           H8         G  12   3.453  17.758  -0.251
  130    H1     G  12           H1         G  12  -2.084  14.757   0.732
  131   1H2     G  12          1H2         G  12  -3.250  14.679  -1.149
  132   2H2     G  12          2H2         G  12  -2.588  15.197  -2.683
  133   1H5*    U  13          1H5*        U  13   0.381  23.887  -3.581
  134   2H5*    U  13          2H5*        U  13  -0.033  24.599  -2.010
  135    H4*    U  13           H4*        U  13  -2.025  23.528  -1.916
  136    H3*    U  13           H3*        U  13  -0.379  21.212  -2.183
  137    H2*    U  13           H2*        U  13  -1.036  20.249  -4.174
  138   2HO*    U  13          2HO*        U  13  -3.601  20.886  -3.146
  139    H1*    U  13           H1*        U  13  -2.669  22.085  -5.445
  140    H3     U  13           H3         U  13   0.376  22.987  -8.615
  141    H5     U  13           H5         U  13   2.732  21.718  -5.358
  142    H6     U  13           H6         U  13   0.708  21.599  -4.026
  143   1H5*    A  14          1H5*        A  14  -5.075  19.415  -0.887
  144   2H5*    A  14          2H5*        A  14  -4.730  17.678  -1.011
  145    H4*    A  14           H4*        A  14  -6.583  18.919  -2.536
  146    H3*    A  14           H3*        A  14  -4.845  16.499  -2.970
  147    H2*    A  14           H2*        A  14  -5.301  16.400  -5.264
  148   2HO*    A  14          2HO*        A  14  -7.235  16.868  -6.049
  149    H1*    A  14           H1*        A  14  -5.587  19.088  -5.844
  150    H8     A  14           H8         A  14  -2.510  18.405  -3.751
  151   1H6     A  14          1H6         A  14   0.490  17.559  -9.009
  152   2H6     A  14          2H6         A  14   0.583  17.132  -7.314
  153    H2     A  14           H2         A  14  -3.944  17.572  -9.930
  154   1H5*    A  15          1H5*        A  15  -8.966  13.694  -4.357
  155   2H5*    A  15          2H5*        A  15  -7.825  12.490  -3.723
  156    H4*    A  15           H4*        A  15  -8.576  12.590  -6.323
  157    H3*    A  15           H3*        A  15  -6.152  11.579  -4.883
  158    H2*    A  15           H2*        A  15  -4.785  11.502  -6.801
  159   2HO*    A  15          2HO*        A  15  -6.149  12.071  -8.902
  160    H1*    A  15           H1*        A  15  -5.504  13.794  -8.020
  161    H8     A  15           H8         A  15  -5.523  13.811  -4.160
  162   1H6     A  15          1H6         A  15   0.165  16.090  -4.545
  163   2H6     A  15          2H6         A  15  -0.993  15.369  -3.449
  164    H2     A  15           H2         A  15  -1.159  14.942  -8.697
  165   1H5*    A  16          1H5*        A  16  -5.797   9.727  -8.218
  166   2H5*    A  16          2H5*        A  16  -5.463   7.991  -8.061
  167    H4*    A  16           H4*        A  16  -3.575   9.129  -9.145
  168    H3*    A  16           H3*        A  16  -3.188   8.005  -6.352
  169    H2*    A  16           H2*        A  16  -0.931   8.716  -6.379
  170   2HO*    A  16          2HO*        A  16   0.148   9.239  -8.279
  171    H1*    A  16           H1*        A  16  -1.307  11.137  -7.636
  172    H8     A  16           H8         A  16  -3.990  10.448  -5.046
  173   1H6     A  16          1H6         A  16  -0.103  12.687  -0.837
  174   2H6     A  16          2H6         A  16  -1.664  11.935  -1.076
  175    H2     A  16           H2         A  16   2.149  12.220  -4.705
  176   1H5*    C  17          1H5*        C  17  -0.021   6.940  -9.059
  177   2H5*    C  17          2H5*        C  17   0.490   5.250  -8.870
  178    H4*    C  17           H4*        C  17   2.446   6.709  -8.760
  179    H3*    C  17           H3*        C  17   1.559   5.375  -6.179
  180    H2*    C  17           H2*        C  17   3.387   6.363  -5.059
  181   2HO*    C  17          2HO*        C  17   4.988   7.534  -6.570
  182    H1*    C  17           H1*        C  17   3.390   8.794  -6.394
  183   1H4     C  17          2H4         C  17   0.704   9.187  -0.566
  184   2H4     C  17          1H4         C  17  -0.789   9.548  -1.404
  185    H5     C  17           H5         C  17  -0.899   7.695  -3.292
  186    H6     C  17           H6         C  17   0.238   7.163  -5.393
  187   1H5*    C  18          1H5*        C  18   5.848   4.803  -7.188
  188   2H5*    C  18          2H5*        C  18   6.225   3.072  -7.062
  189    H4*    C  18           H4*        C  18   8.033   4.263  -6.025
  190    H3*    C  18           H3*        C  18   6.101   2.926  -4.101
  191    H2*    C  18           H2*        C  18   7.405   3.713  -2.266
  192   2HO*    C  18          2HO*        C  18   9.478   4.440  -2.494
  193    H1*    C  18           H1*        C  18   7.749   6.250  -3.139
  194   1H4     C  18          1H4         C  18   2.326   6.480   0.168
  195   2H4     C  18          2H4         C  18   1.456   5.720  -1.146
  196    H5     C  18           H5         C  18   2.530   4.891  -3.135
  197    H6     C  18           H6         C  18   4.665   4.649  -4.315
  198   1H5*    U  19          1H5*        U  19   9.796   1.720  -3.080
  199   2H5*    U  19          2H5*        U  19  10.032   0.153  -2.278
  200    H4*    U  19           H4*        U  19  10.362   2.064  -0.724
  201    H3*    U  19           H3*        U  19   8.188   0.015  -0.304
  202    H2*    U  19           H2*        U  19   7.272   1.189   1.519
  203   2HO*    U  19          2HO*        U  19   9.108   1.552   2.725
  204    H1*    U  19           H1*        U  19   7.651   3.770   0.658
  205    H3     U  19           H3         U  19   3.168   3.048   0.786
  206    H5     U  19           H5         U  19   4.439   1.239  -2.803
  207    H6     U  19           H6         U  19   6.731   1.622  -2.108
  208   1H5*    A  20          1H5*        A  20   8.591  -2.861   3.292
  209   2H5*    A  20          2H5*        A  20   7.961  -1.411   2.484
  210    H4*    A  20           H4*        A  20   9.645  -0.968   4.913
  211    H3*    A  20           H3*        A  20   6.944  -2.356   4.955
  212    H2*    A  20           H2*        A  20   6.287  -1.018   6.788
  213   2HO*    A  20          2HO*        A  20   8.864   0.090   7.131
  214    H1*    A  20           H1*        A  20   7.506   1.344   6.006
  215    H8     A  20           H8         A  20   5.632  -0.543   3.266
  216   1H6     A  20          1H6         A  20   0.537   1.863   5.211
  217   2H6     A  20          2H6         A  20   1.349   2.129   3.684
  218    H2     A  20           H2         A  20   3.904   3.436   7.971
  219   1H5*    U  21          1H5*        U  21   7.978  -2.829   8.811
  220   2H5*    U  21          2H5*        U  21   8.045  -4.517   9.357
  221    H4*    U  21           H4*        U  21   6.478  -3.542  10.817
  222    H3*    U  21           H3*        U  21   5.161  -4.964   8.496
  223    H2*    U  21           H2*        U  21   3.034  -4.228   9.148
  224   2HO*    U  21          2HO*        U  21   2.475  -3.993  11.219
  225    H1*    U  21           H1*        U  21   3.736  -1.768  10.288
  226    H3     U  21           H3         U  21   1.136  -0.171   7.023
  227    H5     U  21           H5         U  21   3.997  -2.433   4.908
  228    H6     U  21           H6         U  21   4.938  -3.112   7.039
  229   1H5*    C  22          1H5*        C  22   3.324  -6.192  12.258
  230   2H5*    C  22          2H5*        C  22   3.104  -7.952  12.341
  231    H4*    C  22           H4*        C  22   0.990  -6.846  12.864
  232    H3*    C  22           H3*        C  22   1.211  -8.323  10.226
  233    H2*    C  22           H2*        C  22  -0.985  -7.747   9.653
  234   2HO*    C  22          2HO*        C  22  -1.318  -7.223  12.450
  235    H1*    C  22           H1*        C  22  -1.041  -5.166  10.843
  236   1H4     C  22          1H4         C  22  -0.334  -4.146   4.600
  237   2H4     C  22          2H4         C  22   1.244  -4.901   4.611
  238    H5     C  22           H5         C  22   2.220  -5.892   6.571
  239    H6     C  22           H6         C  22   1.889  -6.401   8.944
  240   1H5*    G  23          1H5*        G  23  -2.365  -9.006  11.809
  241   2H5*    G  23          2H5*        G  23  -2.946 -10.683  11.780
  242    H4*    G  23           H4*        G  23  -4.553  -9.266  10.618
  243    H3*    G  23           H3*        G  23  -2.867 -11.110   8.886
  244    H2*    G  23           H2*        G  23  -3.986 -10.326   6.986
  245   2HO*    G  23          2HO*        G  23  -6.042  -8.928   8.169
  246    H1*    G  23           H1*        G  23  -4.539  -7.712   7.922
  247    H8     G  23           H8         G  23  -0.941  -9.028   7.882
  248    H1     G  23           H1         G  23  -2.779  -6.317   2.408
  249   1H2     G  23          1H2         G  23  -4.918  -5.690   2.574
  250   2H2     G  23          2H2         G  23  -5.955  -6.348   3.821
  251   1H5*    C  24          1H5*        C  24  -7.394 -11.502   8.428
  252   2H5*    C  24          2H5*        C  24  -7.760 -13.238   8.414
  253    H4*    C  24           H4*        C  24  -9.085 -12.364   6.666
  254    H3*    C  24           H3*        C  24  -6.483 -13.536   5.629
  255    H2*    C  24           H2*        C  24  -7.094 -12.944   3.426
  256   2HO*    C  24          2HO*        C  24  -9.139 -12.862   2.781
  257    H1*    C  24           H1*        C  24  -8.280 -10.514   3.983
  258   1H4     C  24          1H4         C  24  -2.328  -9.530   1.872
  259   2H4     C  24          2H4         C  24  -1.792  -9.424   3.532
  260    H5     C  24           H5         C  24  -3.006 -10.946   5.116
  261    H6     C  24           H6         C  24  -5.264 -11.613   5.804
  262   1H5*    U  25          1H5*        U  25  -9.862 -14.525   3.248
  263   2H5*    U  25          2H5*        U  25 -10.048 -16.287   3.134
  264    H4*    U  25           H4*        U  25 -10.427 -15.469   0.932
  265    H3*    U  25           H3*        U  25  -7.656 -16.628   1.346
  266    H2*    U  25           H2*        U  25  -7.082 -16.115  -0.896
  267   2HO*    U  25          2HO*        U  25  -9.312 -15.052  -1.922
  268    H1*    U  25           H1*        U  25  -8.222 -13.637  -1.035
  269    H3     U  25           H3         U  25  -3.831 -12.629  -0.870
  270    H5     U  25           H5         U  25  -4.606 -14.257   2.942
  271    H6     U  25           H6         U  25  -6.862 -14.737   2.204
  272   1H5*    C  26          1H5*        C  26  -9.478 -17.821  -2.223
  273   2H5*    C  26          2H5*        C  26  -9.354 -19.543  -2.632
  274    H4*    C  26           H4*        C  26  -8.657 -18.133  -4.531
  275    H3*    C  26           H3*        C  26  -6.602 -19.871  -3.136
  276    H2*    C  26           H2*        C  26  -4.916 -19.097  -4.600
  277   2HO*    C  26          2HO*        C  26  -5.546 -17.809  -6.493
  278    H1*    C  26           H1*        C  26  -5.675 -16.460  -4.729
  279   1H4     C  26          1H4         C  26  -1.035 -16.864  -0.395
  280   2H4     C  26          2H4         C  26  -2.156 -17.495   0.790
  281    H5     C  26           H5         C  26  -4.452 -18.028   0.284
  282    H6     C  26           H6         C  26  -6.175 -18.034  -1.459
  283   1H5*    C  27          1H5*        C  27  -6.747 -20.016  -7.436
  284   2H5*    C  27          2H5*        C  27  -6.676 -21.649  -8.127
  285    H4*    C  27           H4*        C  27  -5.184 -20.139  -9.338
  286    H3*    C  27           H3*        C  27  -3.968 -22.333  -7.670
  287    H2*    C  27           H2*        C  27  -1.795 -21.684  -8.331
  288   2HO*    C  27          2HO*        C  27  -3.076 -20.789 -10.521
  289    H1*    C  27           H1*        C  27  -2.108 -19.030  -7.931
  290   1H4     C  27          1H4         C  27  -0.352 -21.511  -2.315
  291   2H4     C  27          2H4         C  27  -2.014 -21.943  -1.981
  292    H5     C  27           H5         C  27  -3.745 -21.883  -3.679
  293    H6     C  27           H6         C  27  -4.325 -21.095  -5.898
  294    H3T    C  27           H3T        C  27  -4.926 -23.059  -9.514
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   9.589 -15.259   2.085
    2   2H5*    G   1          2H5*        G   1   8.839 -16.818   2.484
    3    H4*    G   1           H4*        G   1   9.731 -16.380  -0.347
    4    H3*    G   1           H3*        G   1   7.778 -14.647   1.021
    5    H2*    G   1           H2*        G   1   5.874 -15.666   0.230
    6   2HO*    G   1          2HO*        G   1   6.999 -15.675  -2.377
    7    H1*    G   1           H1*        G   1   7.206 -17.580  -1.606
    8    H8     G   1           H8         G   1   6.165 -18.181   2.026
    9    H1     G   1           H1         G   1   1.897 -20.237  -2.248
   10   1H2     G   1          1H2         G   1   2.471 -19.537  -4.279
   11   2H2     G   1          2H2         G   1   4.000 -18.750  -4.598
   12    H5T    G   1           H5T        G   1  11.029 -16.995   2.787
   13   1H5*    G   2          1H5*        G   2   8.164 -14.050  -3.639
   14   2H5*    G   2          2H5*        G   2   8.045 -12.311  -3.977
   15    H4*    G   2           H4*        G   2   6.688 -13.431  -5.613
   16    H3*    G   2           H3*        G   2   5.128 -12.110  -3.366
   17    H2*    G   2           H2*        G   2   3.108 -12.799  -4.384
   18   2HO*    G   2          2HO*        G   2   3.086 -12.535  -6.488
   19    H1*    G   2           H1*        G   2   3.937 -15.297  -5.213
   20    H8     G   2           H8         G   2   5.024 -14.277  -1.696
   21    H1     G   2           H1         G   2  -0.841 -16.756  -1.942
   22   1H2     G   2          1H2         G   2  -1.355 -17.232  -4.071
   23   2H2     G   2          2H2         G   2  -0.502 -16.457  -5.385
   24   1H5*    A   3          1H5*        A   3   3.852 -10.939  -7.549
   25   2H5*    A   3          2H5*        A   3   3.530  -9.193  -7.572
   26    H4*    A   3           H4*        A   3   1.718 -10.388  -8.703
   27    H3*    A   3           H3*        A   3   1.073  -9.136  -6.006
   28    H2*    A   3           H2*        A   3  -1.196  -9.796  -6.318
   29   2HO*    A   3          2HO*        A   3  -0.578 -10.711  -8.944
   30    H1*    A   3           H1*        A   3  -0.679 -12.315  -7.222
   31    H8     A   3           H8         A   3   1.734 -11.118  -4.515
   32   1H6     A   3          1H6         A   3  -2.381 -13.120  -0.402
   33   2H6     A   3          2H6         A   3  -0.818 -12.362  -0.612
   34    H2     A   3           H2         A   3  -4.245 -13.402  -4.485
   35   1H5*    G   4          1H5*        G   4  -1.921  -8.674  -8.507
   36   2H5*    G   4          2H5*        G   4  -2.137  -6.991  -9.024
   37    H4*    G   4           H4*        G   4  -4.339  -7.712  -8.721
   38    H3*    G   4           H3*        G   4  -3.367  -6.397  -6.139
   39    H2*    G   4           H2*        G   4  -5.570  -6.729  -5.263
   40   2HO*    G   4          2HO*        G   4  -6.195  -7.514  -7.943
   41    H1*    G   4           H1*        G   4  -5.662  -9.340  -5.844
   42    H8     G   4           H8         G   4  -2.088  -8.028  -5.435
   43    H1     G   4           H1         G   4  -4.874  -9.596   0.044
   44   1H2     G   4          1H2         G   4  -6.963 -10.366  -0.375
   45   2H2     G   4          2H2         G   4  -7.796  -9.728  -1.776
   46   1H5*    C   5          1H5*        C   5  -6.672  -4.938  -6.372
   47   2H5*    C   5          2H5*        C   5  -6.889  -3.175  -6.422
   48    H4*    C   5           H4*        C   5  -8.084  -3.912  -4.494
   49    H3*    C   5           H3*        C   5  -5.386  -2.666  -3.943
   50    H2*    C   5           H2*        C   5  -5.508  -3.167  -1.669
   51   2HO*    C   5          2HO*        C   5  -8.269  -3.755  -1.720
   52    H1*    C   5           H1*        C   5  -7.069  -5.494  -1.784
   53   1H4     C   5          1H4         C   5  -1.174  -7.171  -0.092
   54   2H4     C   5          2H4         C   5  -0.603  -6.933  -1.729
   55    H5     C   5           H5         C   5  -1.984  -6.016  -3.490
   56    H6     C   5           H6         C   5  -4.220  -5.194  -4.065
   57   1H5*    G   6          1H5*        G   6  -8.525  -1.232  -1.248
   58   2H5*    G   6          2H5*        G   6  -8.564   0.542  -1.262
   59    H4*    G   6           H4*        G   6  -8.699  -0.122   1.037
   60    H3*    G   6           H3*        G   6  -5.979   0.887   0.155
   61    H2*    G   6           H2*        G   6  -5.105   0.506   2.304
   62   2HO*    G   6          2HO*        G   6  -6.693   0.033   4.077
   63    H1*    G   6           H1*        G   6  -6.576  -1.775   2.949
   64    H8     G   6           H8         G   6  -4.781  -1.477  -0.444
   65    H1     G   6           H1         G   6  -1.298  -4.205   4.150
   66   1H2     G   6          1H2         G   6  -2.383  -4.107   6.081
   67   2H2     G   6          2H2         G   6  -3.950  -3.348   6.242
   68   1H5*    G   7          1H5*        G   7  -7.307   2.800   3.875
   69   2H5*    G   7          2H5*        G   7  -6.936   4.535   3.843
   70    H4*    G   7           H4*        G   7  -6.039   3.647   5.896
   71    H3*    G   7           H3*        G   7  -4.025   4.281   3.725
   72    H2*    G   7           H2*        G   7  -2.290   3.374   4.976
   73   2HO*    G   7          2HO*        G   7  -2.918   3.228   7.465
   74    H1*    G   7           H1*        G   7  -3.862   1.685   6.695
   75    H8     G   7           H8         G   7  -3.148   1.563   2.883
   76    H1     G   7           H1         G   7  -0.002  -2.763   6.354
   77   1H2     G   7          2H2         G   7  -0.152  -1.734   8.706
   78   2H2     G   7          1H2         G   7  -1.871  -2.011   8.882
   79   1H5*    G   8          1H5*        G   8  -3.025   5.938   7.880
   80   2H5*    G   8          2H5*        G   8  -2.873   7.685   7.607
   81    H4*    G   8           H4*        G   8  -1.176   6.969   9.201
   82    H3*    G   8           H3*        G   8  -0.354   7.934   6.478
   83    H2*    G   8           H2*        G   8   1.899   7.282   6.738
   84   2HO*    G   8          2HO*        G   8   2.853   7.026   8.695
   85    H1*    G   8           H1*        G   8   1.573   4.879   7.895
   86    H8     G   8           H8         G   8  -1.367   5.236   5.620
   87    H1     G   8           H1         G   8   3.989   3.968   2.409
   88   1H2     G   8          1H2         G   8   5.741   4.151   3.755
   89   2H2     G   8          2H2         G   8   5.604   4.765   5.388
   90   1H5*    G   9          1H5*        G   9   2.543   9.175   9.167
   91   2H5*    G   9          2H5*        G   9   2.732  10.939   9.234
   92    H4*    G   9           H4*        G   9   4.934   9.977   9.038
   93    H3*    G   9           H3*        G   9   3.803  11.411   6.643
   94    H2*    G   9           H2*        G   9   5.613  10.762   5.250
   95   2HO*    G   9          2HO*        G   9   7.305   9.402   6.649
   96    H1*    G   9           H1*        G   9   5.828   8.205   5.962
   97    H8     G   9           H8         G   9   2.220   9.475   6.162
   98    H1     G   9           H1         G   9   3.865   7.195   0.437
   99   1H2     G   9          1H2         G   9   6.028   6.620   0.460
  100   2H2     G   9          2H2         G   9   7.112   7.280   1.663
  101   1H5*    G  10          1H5*        G  10   7.565  11.850   6.446
  102   2H5*    G  10          2H5*        G  10   8.245  13.484   6.326
  103    H4*    G  10           H4*        G  10   9.092  12.323   4.433
  104    H3*    G  10           H3*        G  10   6.723  14.108   3.803
  105    H2*    G  10           H2*        G  10   6.800  13.448   1.541
  106   2HO*    G  10          2HO*        G  10   9.475  13.066   2.150
  107    H1*    G  10           H1*        G  10   7.509  10.794   1.916
  108    H8     G  10           H8         G  10   4.746  12.272   4.131
  109    H1     G  10           H1         G  10   2.618   9.756  -1.319
  110   1H2     G  10          1H2         G  10   4.326   9.214  -2.626
  111   2H2     G  10          2H2         G  10   5.991   9.448  -2.141
  112   1H5*    U  11          1H5*        U  11   9.319  14.690   0.781
  113   2H5*    U  11          2H5*        U  11   9.551  16.400   0.369
  114    H4*    U  11           H4*        U  11   8.732  15.213  -1.593
  115    H3*    U  11           H3*        U  11   6.910  17.185  -0.214
  116    H2*    U  11           H2*        U  11   5.069  16.523  -1.446
  117   2HO*    U  11          2HO*        U  11   5.201  16.166  -3.626
  118    H1*    U  11           H1*        U  11   6.115  14.005  -2.441
  119    H3     U  11           H3         U  11   1.919  12.714  -1.528
  120    H5     U  11           H5         U  11   3.240  14.338   2.135
  121    H6     U  11           H6         U  11   5.310  14.969   1.031
  122   1H5*    G  12          1H5*        G  12   5.348  20.433  -1.039
  123   2H5*    G  12          2H5*        G  12   5.388  18.668  -0.859
  124    H4*    G  12           H4*        G  12   4.130  19.753  -3.347
  125    H3*    G  12           H3*        G  12   3.046  20.193  -0.553
  126    H2*    G  12           H2*        G  12   0.880  19.531  -1.251
  127   2HO*    G  12          2HO*        G  12   1.905  20.180  -3.786
  128    H1*    G  12           H1*        G  12   1.603  17.389  -2.774
  129    H8     G  12           H8         G  12   3.728  17.912   0.366
  130    H1     G  12           H1         G  12  -1.639  14.636   1.420
  131   1H2     G  12          1H2         G  12  -2.930  14.700  -0.391
  132   2H2     G  12          2H2         G  12  -2.342  15.305  -1.923
  133   1H5*    U  13          1H5*        U  13   1.017  24.275  -2.408
  134   2H5*    U  13          2H5*        U  13   0.576  24.890  -0.803
  135    H4*    U  13           H4*        U  13  -1.505  24.018  -0.916
  136    H3*    U  13           H3*        U  13  -0.061  21.578  -1.211
  137    H2*    U  13           H2*        U  13  -0.641  20.795  -3.302
  138   2HO*    U  13          2HO*        U  13  -3.275  21.792  -3.159
  139    H1*    U  13           H1*        U  13  -2.028  22.829  -4.565
  140    H3     U  13           H3         U  13   1.305  23.650  -7.456
  141    H5     U  13           H5         U  13   3.306  22.006  -4.131
  142    H6     U  13           H6         U  13   1.188  21.987  -2.949
  143   1H5*    A  14          1H5*        A  14  -4.777  19.948   0.116
  144   2H5*    A  14          2H5*        A  14  -4.531  18.205  -0.118
  145    H4*    A  14           H4*        A  14  -6.247  19.687  -1.614
  146    H3*    A  14           H3*        A  14  -4.668  17.173  -2.178
  147    H2*    A  14           H2*        A  14  -5.135  17.267  -4.463
  148   2HO*    A  14          2HO*        A  14  -7.282  17.329  -4.603
  149    H1*    A  14           H1*        A  14  -5.479  20.055  -4.756
  150    H8     A  14           H8         A  14  -2.155  19.050  -3.262
  151   1H6     A  14          2H6         A  14  -0.054  17.640  -8.482
  152   2H6     A  14          1H6         A  14   0.344  19.232  -7.874
  153    H2     A  14           H2         A  14  -4.533  19.000  -9.203
  154   1H5*    A  15          1H5*        A  15  -8.809  14.711  -3.482
  155   2H5*    A  15          2H5*        A  15  -7.791  13.317  -3.066
  156    H4*    A  15           H4*        A  15  -8.588  13.807  -5.584
  157    H3*    A  15           H3*        A  15  -6.178  12.482  -4.407
  158    H2*    A  15           H2*        A  15  -4.877  12.603  -6.363
  159   2HO*    A  15          2HO*        A  15  -7.053  13.477  -7.951
  160    H1*    A  15           H1*        A  15  -5.540  15.058  -7.272
  161    H8     A  15           H8         A  15  -5.349  14.534  -3.451
  162   1H6     A  15          1H6         A  15   0.401  16.663  -3.854
  163   2H6     A  15          2H6         A  15  -0.758  15.897  -2.793
  164    H2     A  15           H2         A  15  -1.218  16.231  -8.032
  165   1H5*    A  16          1H5*        A  16  -6.009  10.941  -7.822
  166   2H5*    A  16          2H5*        A  16  -5.863   9.173  -7.864
  167    H4*    A  16           H4*        A  16  -3.855  10.145  -8.830
  168    H3*    A  16           H3*        A  16  -3.589   8.870  -6.089
  169    H2*    A  16           H2*        A  16  -1.280   9.377  -6.072
  170   2HO*    A  16          2HO*        A  16  -1.108  10.406  -8.648
  171    H1*    A  16           H1*        A  16  -1.424  11.873  -7.233
  172    H8     A  16           H8         A  16  -4.142  11.168  -4.647
  173   1H6     A  16          1H6         A  16  -0.146  13.124  -0.389
  174   2H6     A  16          2H6         A  16  -1.787  12.590  -0.681
  175    H2     A  16           H2         A  16   2.019  12.878  -4.323
  176   1H5*    C  17          1H5*        C  17  -0.611   7.721  -8.873
  177   2H5*    C  17          2H5*        C  17  -0.192   5.996  -8.859
  178    H4*    C  17           H4*        C  17   1.860   7.271  -8.696
  179    H3*    C  17           H3*        C  17   0.943   5.919  -6.131
  180    H2*    C  17           H2*        C  17   2.883   6.723  -5.049
  181   2HO*    C  17          2HO*        C  17   4.678   6.640  -6.160
  182    H1*    C  17           H1*        C  17   2.976   9.212  -6.240
  183   1H4     C  17          1H4         C  17   0.416   9.479  -0.367
  184   2H4     C  17          2H4         C  17  -1.133   9.748  -1.132
  185    H5     C  17           H5         C  17  -1.290   8.052  -3.108
  186    H6     C  17           H6         C  17  -0.218   7.619  -5.264
  187   1H5*    C  18          1H5*        C  18   5.137   5.026  -7.427
  188   2H5*    C  18          2H5*        C  18   5.447   3.287  -7.240
  189    H4*    C  18           H4*        C  18   7.354   4.519  -6.378
  190    H3*    C  18           H3*        C  18   5.568   3.115  -4.371
  191    H2*    C  18           H2*        C  18   6.921   3.910  -2.580
  192   2HO*    C  18          2HO*        C  18   8.825   3.942  -4.533
  193    H1*    C  18           H1*        C  18   7.195   6.463  -3.413
  194   1H4     C  18          1H4         C  18   1.890   6.406   0.111
  195   2H4     C  18          2H4         C  18   0.960   5.931  -1.293
  196    H5     C  18           H5         C  18   2.009   4.975  -3.255
  197    H6     C  18           H6         C  18   4.115   4.777  -4.497
  198   1H5*    U  19          1H5*        U  19   9.376   1.989  -3.646
  199   2H5*    U  19          2H5*        U  19   9.747   0.386  -2.982
  200    H4*    U  19           H4*        U  19  10.196   2.166  -1.331
  201    H3*    U  19           H3*        U  19   8.068   0.084  -0.852
  202    H2*    U  19           H2*        U  19   7.331   1.124   1.130
  203   2HO*    U  19          2HO*        U  19   9.201   1.482   2.227
  204    H1*    U  19           H1*        U  19   7.568   3.748   0.404
  205    H3     U  19           H3         U  19   3.117   2.953   0.740
  206    H5     U  19           H5         U  19   4.214   1.263  -2.961
  207    H6     U  19           H6         U  19   6.532   1.671  -2.384
  208   1H5*    A  20          1H5*        A  20   8.846  -3.059   2.483
  209   2H5*    A  20          2H5*        A  20   8.086  -1.584   1.853
  210    H4*    A  20           H4*        A  20   9.940  -1.339   4.206
  211    H3*    A  20           H3*        A  20   7.193  -2.632   4.233
  212    H2*    A  20           H2*        A  20   6.648  -1.443   6.197
  213   2HO*    A  20          2HO*        A  20   9.347  -1.630   6.598
  214    H1*    A  20           H1*        A  20   7.934   0.936   5.582
  215    H8     A  20           H8         A  20   5.881  -0.625   2.760
  216   1H6     A  20          1H6         A  20   1.100   2.572   4.957
  217   2H6     A  20          2H6         A  20   1.575   1.346   3.803
  218    H2     A  20           H2         A  20   4.495   2.945   7.889
  219   1H5*    U  21          1H5*        U  21   8.202  -3.314   8.006
  220   2H5*    U  21          2H5*        U  21   8.311  -5.038   8.409
  221    H4*    U  21           H4*        U  21   6.787  -4.231   9.998
  222    H3*    U  21           H3*        U  21   5.389  -5.424   7.597
  223    H2*    U  21           H2*        U  21   3.280  -4.771   8.401
  224   2HO*    U  21          2HO*        U  21   3.292  -3.922  10.743
  225    H1*    U  21           H1*        U  21   3.979  -2.370   9.599
  226    H3     U  21           H3         U  21   1.398  -0.749   6.328
  227    H5     U  21           H5         U  21   4.408  -2.803   4.209
  228    H6     U  21           H6         U  21   5.317  -3.532   6.338
  229   1H5*    C  22          1H5*        C  22   3.550  -6.371  11.118
  230   2H5*    C  22          2H5*        C  22   3.211  -8.085  11.441
  231    H4*    C  22           H4*        C  22   1.180  -6.831  11.847
  232    H3*    C  22           H3*        C  22   1.279  -8.535   9.349
  233    H2*    C  22           H2*        C  22  -0.839  -7.824   8.663
  234   2HO*    C  22          2HO*        C  22  -2.296  -6.800  10.178
  235    H1*    C  22           H1*        C  22  -0.726  -5.160   9.637
  236   1H4     C  22          1H4         C  22   0.290  -4.635   3.385
  237   2H4     C  22          2H4         C  22   1.677  -5.698   3.465
  238    H5     C  22           H5         C  22   2.621  -6.420   5.571
  239    H6     C  22           H6         C  22   2.188  -6.698   7.966
  240   1H5*    G  23          1H5*        G  23  -2.434  -8.776  11.006
  241   2H5*    G  23          2H5*        G  23  -3.138 -10.405  11.021
  242    H4*    G  23           H4*        G  23  -4.606  -8.849   9.812
  243    H3*    G  23           H3*        G  23  -3.169 -10.966   8.164
  244    H2*    G  23           H2*        G  23  -4.289 -10.182   6.260
  245   2HO*    G  23          2HO*        G  23  -6.198  -8.730   6.607
  246    H1*    G  23           H1*        G  23  -4.517  -7.476   7.068
  247    H8     G  23           H8         G  23  -1.083  -9.165   6.946
  248    H1     G  23           H1         G  23  -2.913  -6.612   1.395
  249   1H2     G  23          1H2         G  23  -4.955  -5.719   1.634
  250   2H2     G  23          2H2         G  23  -6.004  -6.242   2.931
  251   1H5*    C  24          1H5*        C  24  -7.705 -10.856   7.786
  252   2H5*    C  24          2H5*        C  24  -8.239 -12.532   8.019
  253    H4*    C  24           H4*        C  24  -9.575 -11.782   6.234
  254    H3*    C  24           H3*        C  24  -7.129 -13.270   5.223
  255    H2*    C  24           H2*        C  24  -7.823 -12.886   2.992
  256   2HO*    C  24          2HO*        C  24 -10.246 -13.088   4.058
  257    H1*    C  24           H1*        C  24  -8.728 -10.309   3.301
  258   1H4     C  24          1H4         C  24  -2.784 -10.113   0.970
  259   2H4     C  24          2H4         C  24  -2.169 -10.009   2.603
  260    H5     C  24           H5         C  24  -3.489 -11.047   4.407
  261    H6     C  24           H6         C  24  -5.777 -11.391   5.219
  262   1H5*    U  25          1H5*        U  25 -10.395 -14.512   2.866
  263   2H5*    U  25          2H5*        U  25 -10.602 -16.264   3.063
  264    H4*    U  25           H4*        U  25 -10.665 -15.939   0.723
  265    H3*    U  25           H3*        U  25  -7.934 -16.816   1.700
  266    H2*    U  25           H2*        U  25  -7.077 -16.693  -0.497
  267   2HO*    U  25          2HO*        U  25  -9.513 -16.166  -1.759
  268    H1*    U  25           H1*        U  25  -8.421 -14.434  -1.333
  269    H3     U  25           H3         U  25  -4.233 -12.841  -1.179
  270    H5     U  25           H5         U  25  -5.011 -13.859   2.838
  271    H6     U  25           H6         U  25  -7.147 -14.760   2.123
  272   1H5*    C  26          1H5*        C  26  -9.202 -18.870  -1.848
  273   2H5*    C  26          2H5*        C  26  -8.892 -20.615  -1.765
  274    H4*    C  26           H4*        C  26  -8.011 -19.694  -3.862
  275    H3*    C  26           H3*        C  26  -6.023 -20.662  -1.781
  276    H2*    C  26           H2*        C  26  -4.246 -20.142  -3.254
  277   2HO*    C  26          2HO*        C  26  -6.292 -20.214  -5.220
  278    H1*    C  26           H1*        C  26  -5.276 -17.787  -4.266
  279   1H4     C  26          1H4         C  26  -1.227 -15.989   0.283
  280   2H4     C  26          2H4         C  26  -2.151 -16.823   1.511
  281    H5     C  26           H5         C  26  -4.340 -17.755   1.058
  282    H6     C  26           H6         C  26  -5.855 -18.530  -0.708
  283   1H5*    C  27          1H5*        C  27  -5.578 -22.077  -5.754
  284   2H5*    C  27          2H5*        C  27  -5.207 -23.801  -5.960
  285    H4*    C  27           H4*        C  27  -3.747 -22.392  -7.354
  286    H3*    C  27           H3*        C  27  -2.564 -23.989  -5.093
  287    H2*    C  27           H2*        C  27  -0.395 -23.215  -5.610
  288   2HO*    C  27          2HO*        C  27  -1.393 -23.029  -8.093
  289    H1*    C  27           H1*        C  27  -1.025 -20.603  -5.916
  290   1H4     C  27          1H4         C  27   0.104 -21.356   0.313
  291   2H4     C  27          2H4         C  27  -1.482 -22.064   0.533
  292    H5     C  27           H5         C  27  -2.964 -22.579  -1.310
  293    H6     C  27           H6         C  27  -3.281 -22.437  -3.710
  294    H3T    C  27           H3T        C  27  -2.343 -25.400  -6.679
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   8.538 -19.095  -0.237
    2   2H5*    G   1          2H5*        G   1   8.949 -17.599   0.627
    3    H4*    G   1           H4*        G   1   9.551 -17.125  -1.592
    4    H3*    G   1           H3*        G   1   7.406 -15.705  -0.488
    5    H2*    G   1           H2*        G   1   5.602 -16.255  -1.806
    6   2HO*    G   1          2HO*        G   1   6.807 -15.659  -4.228
    7    H1*    G   1           H1*        G   1   6.759 -17.575  -4.077
    8    H8     G   1           H8         G   1   6.376 -19.458  -0.789
    9    H1     G   1           H1         G   1   1.174 -19.674  -4.471
   10   1H2     G   1          1H2         G   1   1.362 -18.181  -6.122
   11   2H2     G   1          2H2         G   1   2.906 -17.468  -6.529
   12    H5T    G   1           H5T        G   1   6.810 -18.594   1.020
   13   1H5*    G   2          1H5*        G   2   8.195 -13.947  -4.642
   14   2H5*    G   2          2H5*        G   2   8.217 -12.174  -4.546
   15    H4*    G   2           H4*        G   2   6.765 -12.781  -6.372
   16    H3*    G   2           H3*        G   2   5.382 -11.819  -3.851
   17    H2*    G   2           H2*        G   2   3.274 -12.110  -4.877
   18   2HO*    G   2          2HO*        G   2   4.510 -12.607  -7.392
   19    H1*    G   2           H1*        G   2   3.799 -14.453  -6.212
   20    H8     G   2           H8         G   2   5.180 -14.197  -2.649
   21    H1     G   2           H1         G   2  -0.868 -16.190  -2.933
   22   1H2     G   2          1H2         G   2  -1.594 -16.101  -5.031
   23   2H2     G   2          2H2         G   2  -0.652 -15.377  -6.314
   24   1H5*    A   3          1H5*        A   3   3.977  -9.812  -7.603
   25   2H5*    A   3          2H5*        A   3   3.826  -8.070  -7.296
   26    H4*    A   3           H4*        A   3   1.826  -8.890  -8.445
   27    H3*    A   3           H3*        A   3   1.517  -8.075  -5.531
   28    H2*    A   3           H2*        A   3  -0.818  -8.490  -5.715
   29   2HO*    A   3          2HO*        A   3  -0.272  -8.351  -8.493
   30    H1*    A   3           H1*        A   3  -0.631 -10.832  -7.116
   31    H8     A   3           H8         A   3   2.060 -10.360  -4.446
   32   1H6     A   3          1H6         A   3  -1.856 -12.975  -0.515
   33   2H6     A   3          2H6         A   3  -0.388 -12.026  -0.607
   34    H2     A   3           H2         A   3  -4.077 -12.168  -4.355
   35   1H5*    G   4          1H5*        G   4  -1.386  -6.976  -7.860
   36   2H5*    G   4          2H5*        G   4  -1.617  -5.239  -8.128
   37    H4*    G   4           H4*        G   4  -3.810  -6.040  -7.977
   38    H3*    G   4           H3*        G   4  -2.914  -5.062  -5.223
   39    H2*    G   4           H2*        G   4  -5.135  -5.529  -4.462
   40   2HO*    G   4          2HO*        G   4  -6.196  -6.705  -6.661
   41    H1*    G   4           H1*        G   4  -5.167  -8.043  -5.380
   42    H8     G   4           H8         G   4  -1.628  -6.741  -4.686
   43    H1     G   4           H1         G   4  -4.544  -9.086   0.437
   44   1H2     G   4          1H2         G   4  -6.641  -9.627  -0.044
   45   2H2     G   4          2H2         G   4  -7.362  -9.248  -1.591
   46   1H5*    C   5          1H5*        C   5  -6.213  -3.771  -5.420
   47   2H5*    C   5          2H5*        C   5  -6.590  -2.038  -5.337
   48    H4*    C   5           H4*        C   5  -7.836  -3.015  -3.568
   49    H3*    C   5           H3*        C   5  -5.289  -1.634  -2.743
   50    H2*    C   5           H2*        C   5  -5.375  -2.441  -0.569
   51   2HO*    C   5          2HO*        C   5  -7.187  -2.182   0.475
   52    H1*    C   5           H1*        C   5  -6.882  -4.795  -0.964
   53   1H4     C   5          1H4         C   5  -1.034  -6.494   0.863
   54   2H4     C   5          2H4         C   5  -0.394  -6.099  -0.717
   55    H5     C   5           H5         C   5  -1.715  -5.066  -2.456
   56    H6     C   5           H6         C   5  -3.939  -4.231  -3.060
   57   1H5*    G   6          1H5*        G   6  -8.569  -0.744   0.014
   58   2H5*    G   6          2H5*        G   6  -8.836   1.011   0.035
   59    H4*    G   6           H4*        G   6  -8.931   0.419   2.312
   60    H3*    G   6           H3*        G   6  -6.181   1.415   1.516
   61    H2*    G   6           H2*        G   6  -5.366   1.007   3.687
   62   2HO*    G   6          2HO*        G   6  -6.944   0.558   5.427
   63    H1*    G   6           H1*        G   6  -6.830  -1.285   4.259
   64    H8     G   6           H8         G   6  -4.984  -0.835   0.901
   65    H1     G   6           H1         G   6  -1.615  -3.847   5.400
   66   1H2     G   6          1H2         G   6  -2.731  -3.852   7.309
   67   2H2     G   6          2H2         G   6  -4.312  -3.122   7.476
   68   1H5*    G   7          1H5*        G   7  -7.161   3.037   5.250
   69   2H5*    G   7          2H5*        G   7  -6.963   4.801   5.260
   70    H4*    G   7           H4*        G   7  -5.720   4.071   7.135
   71    H3*    G   7           H3*        G   7  -3.989   4.558   4.698
   72    H2*    G   7           H2*        G   7  -2.127   3.675   5.761
   73   2HO*    G   7          2HO*        G   7  -1.912   3.849   8.088
   74    H1*    G   7           H1*        G   7  -3.517   2.189   7.818
   75    H8     G   7           H8         G   7  -3.020   1.800   3.985
   76    H1     G   7           H1         G   7  -0.054  -2.572   7.555
   77   1H2     G   7          1H2         G   7  -0.904  -2.339   9.738
   78   2H2     G   7          2H2         G   7  -0.918  -0.659  10.225
   79   1H5*    G   8          1H5*        G   8  -2.535   6.084   8.520
   80   2H5*    G   8          2H5*        G   8  -2.478   7.855   8.411
   81    H4*    G   8           H4*        G   8  -0.622   7.188   9.773
   82    H3*    G   8           H3*        G   8   0.012   8.096   6.970
   83    H2*    G   8           H2*        G   8   2.290   7.499   7.155
   84   2HO*    G   8          2HO*        G   8   1.944   8.180   9.684
   85    H1*    G   8           H1*        G   8   2.032   5.115   8.381
   86    H8     G   8           H8         G   8  -0.947   5.481   6.120
   87    H1     G   8           H1         G   8   4.366   4.005   2.922
   88   1H2     G   8          1H2         G   8   6.079   3.823   4.493
   89   2H2     G   8          2H2         G   8   6.044   5.096   5.691
   90   1H5*    G   9          1H5*        G   9   3.006   9.805   9.552
   91   2H5*    G   9          2H5*        G   9   3.095  11.560   9.306
   92    H4*    G   9           H4*        G   9   5.336  10.612   9.166
   93    H3*    G   9           H3*        G   9   4.055  11.738   6.676
   94    H2*    G   9           H2*        G   9   5.872  11.031   5.313
   95   2HO*    G   9          2HO*        G   9   7.849  10.458   6.147
   96    H1*    G   9           H1*        G   9   6.183   8.569   6.268
   97    H8     G   9           H8         G   9   2.531   9.686   6.457
   98    H1     G   9           H1         G   9   4.156   7.055   0.882
   99   1H2     G   9          1H2         G   9   6.344   6.528   0.925
  100   2H2     G   9          2H2         G   9   7.417   7.430   1.970
  101   1H5*    G  10          1H5*        G  10   7.854  12.360   6.227
  102   2H5*    G  10          2H5*        G  10   8.351  14.043   5.964
  103    H4*    G  10           H4*        G  10   9.270  12.823   4.137
  104    H3*    G  10           H3*        G  10   6.732  14.331   3.445
  105    H2*    G  10           H2*        G  10   6.826  13.514   1.229
  106   2HO*    G  10          2HO*        G  10   9.554  13.218   1.849
  107    H1*    G  10           H1*        G  10   7.742  10.964   1.777
  108    H8     G  10           H8         G  10   4.974  12.382   4.016
  109    H1     G  10           H1         G  10   2.804   9.348  -1.143
  110   1H2     G  10          1H2         G  10   4.487   8.873  -2.511
  111   2H2     G  10          2H2         G  10   6.153   9.227  -2.110
  112   1H5*    U  11          1H5*        U  11   9.098  14.801   0.310
  113   2H5*    U  11          2H5*        U  11   9.287  16.482  -0.222
  114    H4*    U  11           H4*        U  11   8.463  15.217  -2.101
  115    H3*    U  11           H3*        U  11   6.537  17.092  -0.734
  116    H2*    U  11           H2*        U  11   4.706  16.236  -1.855
  117   2HO*    U  11          2HO*        U  11   6.335  16.673  -3.897
  118    H1*    U  11           H1*        U  11   5.908  13.775  -2.819
  119    H3     U  11           H3         U  11   1.881  12.165  -1.675
  120    H5     U  11           H5         U  11   3.197  14.059   1.858
  121    H6     U  11           H6         U  11   5.163  14.813   0.643
  122   1H5*    G  12          1H5*        G  12   4.555  20.236  -2.012
  123   2H5*    G  12          2H5*        G  12   4.801  18.536  -1.564
  124    H4*    G  12           H4*        G  12   3.619  18.982  -4.254
  125    H3*    G  12           H3*        G  12   2.289  19.951  -1.712
  126    H2*    G  12           H2*        G  12   0.240  18.957  -2.361
  127   2HO*    G  12          2HO*        G  12   1.448  18.832  -4.941
  128    H1*    G  12           H1*        G  12   1.229  16.607  -3.338
  129    H8     G  12           H8         G  12   3.045  17.918  -0.237
  130    H1     G  12           H1         G  12  -2.199  14.550   1.106
  131   1H2     G  12          1H2         G  12  -3.379  14.228  -0.765
  132   2H2     G  12          2H2         G  12  -2.637  14.415  -2.337
  133   1H5*    U  13          1H5*        U  13   0.147  23.327  -4.556
  134   2H5*    U  13          2H5*        U  13  -0.397  24.280  -3.162
  135    H4*    U  13           H4*        U  13  -2.418  23.266  -3.110
  136    H3*    U  13           H3*        U  13  -0.824  20.921  -2.809
  137    H2*    U  13           H2*        U  13  -1.288  19.646  -4.676
  138   2HO*    U  13          2HO*        U  13  -3.732  20.052  -3.641
  139    H1*    U  13           H1*        U  13  -2.731  21.254  -6.402
  140    H3     U  13           H3         U  13   0.657  21.599  -9.323
  141    H5     U  13           H5         U  13   2.618  20.873  -5.664
  142    H6     U  13           H6         U  13   0.463  20.994  -4.561
  143   1H5*    A  14          1H5*        A  14  -5.553  19.302  -1.466
  144   2H5*    A  14          2H5*        A  14  -5.177  17.578  -1.274
  145    H4*    A  14           H4*        A  14  -6.915  18.492  -3.122
  146    H3*    A  14           H3*        A  14  -5.070  16.106  -3.064
  147    H2*    A  14           H2*        A  14  -5.400  15.641  -5.335
  148   2HO*    A  14          2HO*        A  14  -7.416  15.638  -5.950
  149    H1*    A  14           H1*        A  14  -5.771  18.220  -6.308
  150    H8     A  14           H8         A  14  -2.731  17.838  -4.062
  151   1H6     A  14          1H6         A  14   0.526  17.204  -8.630
  152   2H6     A  14          2H6         A  14   0.368  15.616  -7.914
  153    H2     A  14           H2         A  14  -3.986  16.401 -10.167
  154   1H5*    A  15          1H5*        A  15  -8.950  13.348  -4.314
  155   2H5*    A  15          2H5*        A  15  -8.139  12.006  -3.482
  156    H4*    A  15           H4*        A  15  -8.521  11.899  -6.086
  157    H3*    A  15           H3*        A  15  -6.207  11.015  -4.397
  158    H2*    A  15           H2*        A  15  -4.741  10.716  -6.217
  159   2HO*    A  15          2HO*        A  15  -6.848  11.082  -8.091
  160    H1*    A  15           H1*        A  15  -5.369  12.871  -7.721
  161    H8     A  15           H8         A  15  -5.506  13.238  -3.880
  162   1H6     A  15          1H6         A  15   0.150  15.539  -4.284
  163   2H6     A  15          2H6         A  15  -0.944  14.753  -3.168
  164    H2     A  15           H2         A  15  -1.009  13.986  -8.369
  165   1H5*    A  16          1H5*        A  16  -5.970   8.936  -7.647
  166   2H5*    A  16          2H5*        A  16  -5.643   7.202  -7.457
  167    H4*    A  16           H4*        A  16  -3.820   8.290  -8.696
  168    H3*    A  16           H3*        A  16  -3.262   7.226  -5.910
  169    H2*    A  16           H2*        A  16  -1.004   7.920  -6.091
  170   2HO*    A  16          2HO*        A  16  -0.420   8.874  -8.317
  171    H1*    A  16           H1*        A  16  -1.442  10.345  -7.271
  172    H8     A  16           H8         A  16  -4.015   9.388  -4.607
  173   1H6     A  16          1H6         A  16  -0.197  11.923  -0.495
  174   2H6     A  16          2H6         A  16  -1.771  11.197  -0.732
  175    H2     A  16           H2         A  16   1.896  11.834  -4.469
  176   1H5*    C  17          1H5*        C  17  -0.254   6.374  -8.561
  177   2H5*    C  17          2H5*        C  17   0.391   4.722  -8.512
  178    H4*    C  17           H4*        C  17   2.249   6.262  -8.299
  179    H3*    C  17           H3*        C  17   1.442   4.825  -5.744
  180    H2*    C  17           H2*        C  17   3.183   5.920  -4.598
  181   2HO*    C  17          2HO*        C  17   4.895   6.983  -5.811
  182    H1*    C  17           H1*        C  17   3.099   8.343  -5.990
  183   1H4     C  17          1H4         C  17   0.608   9.116  -0.163
  184   2H4     C  17          2H4         C  17  -0.981   8.873  -0.846
  185    H5     C  17           H5         C  17  -1.013   7.139  -2.678
  186    H6     C  17           H6         C  17   0.080   6.560  -4.793
  187   1H5*    C  18          1H5*        C  18   5.820   4.488  -6.847
  188   2H5*    C  18          2H5*        C  18   6.300   2.793  -6.630
  189    H4*    C  18           H4*        C  18   8.027   4.183  -5.666
  190    H3*    C  18           H3*        C  18   6.234   2.708  -3.716
  191    H2*    C  18           H2*        C  18   7.402   3.664  -1.884
  192   2HO*    C  18          2HO*        C  18   9.385   4.154  -3.845
  193    H1*    C  18           H1*        C  18   7.629   6.199  -2.838
  194   1H4     C  18          1H4         C  18   2.247   6.240   0.541
  195   2H4     C  18          2H4         C  18   1.408   5.378  -0.728
  196    H5     C  18           H5         C  18   2.535   4.402  -2.621
  197    H6     C  18           H6         C  18   4.663   4.245  -3.827
  198   1H5*    U  19          1H5*        U  19  10.222   1.340  -2.578
  199   2H5*    U  19          2H5*        U  19  10.097  -0.232  -1.760
  200    H4*    U  19           H4*        U  19  10.723   1.729  -0.268
  201    H3*    U  19           H3*        U  19   8.426  -0.165   0.204
  202    H2*    U  19           H2*        U  19   7.630   1.071   2.050
  203   2HO*    U  19          2HO*        U  19  10.298   1.926   2.146
  204    H1*    U  19           H1*        U  19   8.067   3.605   1.131
  205    H3     U  19           H3         U  19   3.572   3.089   1.157
  206    H5     U  19           H5         U  19   4.835   0.907  -2.219
  207    H6     U  19           H6         U  19   7.128   1.277  -1.521
  208   1H5*    A  20          1H5*        A  20   8.161  -2.624   3.311
  209   2H5*    A  20          2H5*        A  20   8.326  -0.992   2.633
  210    H4*    A  20           H4*        A  20  10.036  -1.202   4.939
  211    H3*    A  20           H3*        A  20   7.301  -2.435   5.271
  212    H2*    A  20           H2*        A  20   6.826  -1.150   7.184
  213   2HO*    A  20          2HO*        A  20   9.629  -0.999   7.328
  214    H1*    A  20           H1*        A  20   7.903   1.234   6.417
  215    H8     A  20           H8         A  20   6.125  -0.826   3.699
  216   1H6     A  20          2H6         A  20   1.038   1.322   5.290
  217   2H6     A  20          1H6         A  20   1.746   2.172   3.935
  218    H2     A  20           H2         A  20   4.264   3.438   8.096
  219   1H5*    U  21          1H5*        U  21   8.248  -3.139   9.334
  220   2H5*    U  21          2H5*        U  21   8.043  -4.897   9.490
  221    H4*    U  21           H4*        U  21   6.484  -3.804  10.994
  222    H3*    U  21           H3*        U  21   5.332  -5.126   8.524
  223    H2*    U  21           H2*        U  21   3.165  -4.423   9.092
  224   2HO*    U  21          2HO*        U  21   3.968  -4.987  11.526
  225    H1*    U  21           H1*        U  21   3.805  -1.982  10.289
  226    H3     U  21           H3         U  21   1.556  -0.246   6.850
  227    H5     U  21           H5         U  21   4.362  -2.747   4.940
  228    H6     U  21           H6         U  21   5.158  -3.417   7.130
  229   1H5*    C  22          1H5*        C  22   3.284  -6.482  12.243
  230   2H5*    C  22          2H5*        C  22   2.994  -8.232  12.178
  231    H4*    C  22           H4*        C  22   0.925  -7.029  12.759
  232    H3*    C  22           H3*        C  22   1.125  -8.465  10.099
  233    H2*    C  22           H2*        C  22  -1.032  -7.784   9.491
  234   2HO*    C  22          2HO*        C  22  -2.528  -7.000  11.089
  235    H1*    C  22           H1*        C  22  -1.010  -5.225  10.725
  236   1H4     C  22          1H4         C  22  -0.082  -4.111   4.526
  237   2H4     C  22          2H4         C  22   1.431  -4.987   4.549
  238    H5     C  22           H5         C  22   2.414  -5.826   6.584
  239    H6     C  22           H6         C  22   1.998  -6.364   8.938
  240   1H5*    G  23          1H5*        G  23  -2.544  -9.137  11.650
  241   2H5*    G  23          2H5*        G  23  -3.127 -10.809  11.520
  242    H4*    G  23           H4*        G  23  -4.702  -9.298  10.412
  243    H3*    G  23           H3*        G  23  -3.042 -11.105   8.612
  244    H2*    G  23           H2*        G  23  -4.164 -10.231   6.748
  245   2HO*    G  23          2HO*        G  23  -6.178  -8.789   7.626
  246    H1*    G  23           H1*        G  23  -4.642  -7.643   7.785
  247    H8     G  23           H8         G  23  -1.074  -9.034   7.693
  248    H1     G  23           H1         G  23  -2.846  -6.109   2.314
  249   1H2     G  23          1H2         G  23  -4.956  -5.369   2.541
  250   2H2     G  23          2H2         G  23  -6.029  -6.148   3.680
  251   1H5*    C  24          1H5*        C  24  -7.586 -11.398   8.147
  252   2H5*    C  24          2H5*        C  24  -7.964 -13.131   8.099
  253    H4*    C  24           H4*        C  24  -9.312 -12.188   6.397
  254    H3*    C  24           H3*        C  24  -6.760 -13.415   5.309
  255    H2*    C  24           H2*        C  24  -7.381 -12.777   3.118
  256   2HO*    C  24          2HO*        C  24  -9.968 -12.648   4.258
  257    H1*    C  24           H1*        C  24  -8.453 -10.313   3.711
  258   1H4     C  24          1H4         C  24  -2.496  -9.355   1.675
  259   2H4     C  24          2H4         C  24  -1.885  -9.672   3.283
  260    H5     C  24           H5         C  24  -3.212 -10.920   4.897
  261    H6     C  24           H6         C  24  -5.499 -11.497   5.572
  262   1H5*    U  25          1H5*        U  25  -9.990 -14.143   2.840
  263   2H5*    U  25          2H5*        U  25 -10.347 -15.878   2.743
  264    H4*    U  25           H4*        U  25 -10.539 -15.141   0.511
  265    H3*    U  25           H3*        U  25  -7.824 -16.362   1.085
  266    H2*    U  25           H2*        U  25  -7.123 -15.905  -1.126
  267   2HO*    U  25          2HO*        U  25  -9.876 -15.388  -1.724
  268    H1*    U  25           H1*        U  25  -8.301 -13.434  -1.421
  269    H3     U  25           H3         U  25  -3.969 -12.265  -1.283
  270    H5     U  25           H5         U  25  -4.649 -13.875   2.554
  271    H6     U  25           H6         U  25  -6.891 -14.457   1.836
  272   1H5*    C  26          1H5*        C  26  -9.469 -17.498  -2.560
  273   2H5*    C  26          2H5*        C  26  -9.426 -19.236  -2.923
  274    H4*    C  26           H4*        C  26  -8.565 -17.970  -4.830
  275    H3*    C  26           H3*        C  26  -6.589 -19.626  -3.226
  276    H2*    C  26           H2*        C  26  -4.861 -18.981  -4.712
  277   2HO*    C  26          2HO*        C  26  -5.430 -18.972  -6.755
  278    H1*    C  26           H1*        C  26  -5.600 -16.351  -5.027
  279   1H4     C  26          1H4         C  26  -1.058 -16.431  -0.574
  280   2H4     C  26          2H4         C  26  -2.204 -16.988   0.625
  281    H5     C  26           H5         C  26  -4.446 -17.696   0.075
  282    H6     C  26           H6         C  26  -6.129 -17.824  -1.703
  283   1H5*    C  27          1H5*        C  27  -6.929 -20.769  -7.665
  284   2H5*    C  27          2H5*        C  27  -6.082 -22.285  -8.033
  285    H4*    C  27           H4*        C  27  -5.284 -20.099  -9.185
  286    H3*    C  27           H3*        C  27  -3.581 -22.185  -7.843
  287    H2*    C  27           H2*        C  27  -1.614 -20.967  -8.292
  288   2HO*    C  27          2HO*        C  27  -3.225 -19.252  -9.926
  289    H1*    C  27           H1*        C  27  -2.521 -18.540  -7.530
  290   1H4     C  27          1H4         C  27  -0.284 -21.413  -2.279
  291   2H4     C  27          2H4         C  27  -1.828 -22.207  -2.058
  292    H5     C  27           H5         C  27  -3.666 -21.979  -3.615
  293    H6     C  27           H6         C  27  -4.378 -21.027  -5.729
  294    H3T    C  27           H3T        C  27  -4.448 -21.456 -10.403
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   9.872 -16.780   0.728
    2   2H5*    G   1          2H5*        G   1  10.724 -17.861  -0.393
    3    H4*    G   1           H4*        G   1  10.062 -16.166  -2.236
    4    H3*    G   1           H3*        G   1   8.759 -14.964   0.131
    5    H2*    G   1           H2*        G   1   6.609 -15.602  -0.409
    6   2HO*    G   1          2HO*        G   1   7.043 -14.624  -3.043
    7    H1*    G   1           H1*        G   1   7.295 -16.677  -3.111
    8    H8     G   1           H8         G   1   6.707 -18.415   0.281
    9    H1     G   1           H1         G   1   1.895 -19.028  -3.861
   10   1H2     G   1          1H2         G   1   2.331 -17.864  -5.702
   11   2H2     G   1          2H2         G   1   3.743 -16.840  -5.851
   12    H5T    G   1           H5T        G   1  11.740 -15.666  -1.028
   13   1H5*    G   2          1H5*        G   2   8.406 -12.952  -4.206
   14   2H5*    G   2          2H5*        G   2   8.211 -11.200  -3.993
   15    H4*    G   2           H4*        G   2   6.773 -11.991  -5.814
   16    H3*    G   2           H3*        G   2   5.422 -11.071  -3.250
   17    H2*    G   2           H2*        G   2   3.312 -11.451  -4.264
   18   2HO*    G   2          2HO*        G   2   3.482 -10.588  -6.271
   19    H1*    G   2           H1*        G   2   3.943 -13.802  -5.540
   20    H8     G   2           H8         G   2   5.350 -13.421  -2.006
   21    H1     G   2           H1         G   2  -0.633 -15.617  -2.162
   22   1H2     G   2          1H2         G   2  -1.484 -15.270  -4.228
   23   2H2     G   2          2H2         G   2  -0.386 -15.224  -5.590
   24   1H5*    A   3          1H5*        A   3   4.062  -8.969  -7.038
   25   2H5*    A   3          2H5*        A   3   3.682  -7.274  -6.680
   26    H4*    A   3           H4*        A   3   1.873  -8.340  -7.981
   27    H3*    A   3           H3*        A   3   1.286  -7.537  -5.104
   28    H2*    A   3           H2*        A   3  -0.974  -8.194  -5.455
   29   2HO*    A   3          2HO*        A   3  -0.273  -8.299  -8.228
   30    H1*    A   3           H1*        A   3  -0.437 -10.507  -6.818
   31    H8     A   3           H8         A   3   1.954  -9.779  -3.930
   32   1H6     A   3          1H6         A   3  -2.134 -12.550  -0.265
   33   2H6     A   3          2H6         A   3  -0.638 -11.645  -0.302
   34    H2     A   3           H2         A   3  -3.991 -12.109  -4.339
   35   1H5*    G   4          1H5*        G   4  -1.582  -6.754  -7.675
   36   2H5*    G   4          2H5*        G   4  -1.885  -5.035  -7.992
   37    H4*    G   4           H4*        G   4  -4.039  -5.948  -8.017
   38    H3*    G   4           H3*        G   4  -3.406  -4.885  -5.228
   39    H2*    G   4           H2*        G   4  -5.624  -5.499  -4.575
   40   2HO*    G   4          2HO*        G   4  -5.979  -5.845  -7.376
   41    H1*    G   4           H1*        G   4  -5.451  -8.017  -5.452
   42    H8     G   4           H8         G   4  -2.036  -6.488  -4.629
   43    H1     G   4           H1         G   4  -5.031  -8.908   0.416
   44   1H2     G   4          1H2         G   4  -7.096  -9.503  -0.119
   45   2H2     G   4          2H2         G   4  -7.722  -9.336  -1.744
   46   1H5*    C   5          1H5*        C   5  -6.737  -3.818  -5.539
   47   2H5*    C   5          2H5*        C   5  -7.216  -2.109  -5.487
   48    H4*    C   5           H4*        C   5  -8.434  -3.093  -3.718
   49    H3*    C   5           H3*        C   5  -5.904  -1.705  -2.821
   50    H2*    C   5           H2*        C   5  -6.165  -2.441  -0.621
   51   2HO*    C   5          2HO*        C   5  -8.772  -2.053  -1.212
   52    H1*    C   5           H1*        C   5  -7.438  -4.883  -1.096
   53   1H4     C   5          1H4         C   5  -1.494  -6.105   0.796
   54   2H4     C   5          2H4         C   5  -0.885  -5.742  -0.805
   55    H5     C   5           H5         C   5  -2.240  -4.687  -2.511
   56    H6     C   5           H6         C   5  -4.516  -4.025  -3.138
   57   1H5*    G   6          1H5*        G   6  -8.981  -0.746   0.019
   58   2H5*    G   6          2H5*        G   6  -9.262   1.003  -0.079
   59    H4*    G   6           H4*        G   6  -9.165   0.625   2.234
   60    H3*    G   6           H3*        G   6  -6.452   1.460   1.164
   61    H2*    G   6           H2*        G   6  -5.518   1.232   3.310
   62   2HO*    G   6          2HO*        G   6  -8.193   1.617   4.137
   63    H1*    G   6           H1*        G   6  -7.042  -0.935   4.188
   64    H8     G   6           H8         G   6  -5.293  -0.903   0.746
   65    H1     G   6           H1         G   6  -1.893  -3.588   5.427
   66   1H2     G   6          1H2         G   6  -2.896  -3.223   7.383
   67   2H2     G   6          2H2         G   6  -4.553  -2.672   7.472
   68   1H5*    G   7          1H5*        G   7  -7.187   3.114   4.821
   69   2H5*    G   7          2H5*        G   7  -6.863   4.856   4.914
   70    H4*    G   7           H4*        G   7  -5.636   3.846   6.703
   71    H3*    G   7           H3*        G   7  -3.989   4.666   4.305
   72    H2*    G   7           H2*        G   7  -2.037   3.761   5.235
   73   2HO*    G   7          2HO*        G   7  -1.689   4.184   7.273
   74    H1*    G   7           H1*        G   7  -3.133   1.589   6.566
   75    H8     G   7           H8         G   7  -3.824   2.652   2.902
   76    H1     G   7           H1         G   7   0.366  -2.108   3.560
   77   1H2     G   7          1H2         G   7   0.568  -2.635   5.722
   78   2H2     G   7          2H2         G   7   0.049  -1.525   6.972
   79   1H5*    G   8          1H5*        G   8  -2.369   5.628   8.309
   80   2H5*    G   8          2H5*        G   8  -2.363   7.399   8.412
   81    H4*    G   8           H4*        G   8  -0.460   6.701   9.645
   82    H3*    G   8           H3*        G   8   0.109   7.789   6.900
   83    H2*    G   8           H2*        G   8   2.387   7.171   6.964
   84   2HO*    G   8          2HO*        G   8   3.388   7.425   8.809
   85    H1*    G   8           H1*        G   8   2.171   4.712   8.029
   86    H8     G   8           H8         G   8  -0.886   5.456   5.921
   87    H1     G   8           H1         G   8   4.109   3.547   2.444
   88   1H2     G   8          1H2         G   8   5.872   3.216   3.825
   89   2H2     G   8          2H2         G   8   5.970   4.159   5.294
   90   1H5*    G   9          1H5*        G   9   3.061   9.172   9.434
   91   2H5*    G   9          2H5*        G   9   3.219  10.937   9.528
   92    H4*    G   9           H4*        G   9   5.423  10.093   9.143
   93    H3*    G   9           H3*        G   9   4.067  11.318   6.731
   94    H2*    G   9           H2*        G   9   5.937  10.775   5.359
   95   2HO*    G   9          2HO*        G   9   7.587   9.544   7.102
   96    H1*    G   9           H1*        G   9   6.294   8.260   6.169
   97    H8     G   9           H8         G   9   2.623   9.339   6.315
   98    H1     G   9           H1         G   9   4.414   7.006   0.653
   99   1H2     G   9          1H2         G   9   6.610   6.682   0.631
  100   2H2     G   9          2H2         G   9   7.640   7.128   1.972
  101   1H5*    G  10          1H5*        G  10   7.964  12.324   6.527
  102   2H5*    G  10          2H5*        G  10   8.263  14.034   6.154
  103    H4*    G  10           H4*        G  10   9.357  12.691   4.461
  104    H3*    G  10           H3*        G  10   6.826  14.125   3.587
  105    H2*    G  10           H2*        G  10   7.115  13.264   1.401
  106   2HO*    G  10          2HO*        G  10   9.733  13.398   2.098
  107    H1*    G  10           H1*        G  10   8.025  10.750   2.101
  108    H8     G  10           H8         G  10   5.059  12.146   4.081
  109    H1     G  10           H1         G  10   3.379   9.058  -1.230
  110   1H2     G  10          1H2         G  10   5.172   8.636  -2.463
  111   2H2     G  10          2H2         G  10   6.794   8.996  -1.917
  112   1H5*    U  11          1H5*        U  11   9.145  14.409   0.639
  113   2H5*    U  11          2H5*        U  11   9.590  16.043   0.113
  114    H4*    U  11           H4*        U  11   8.787  15.028  -1.857
  115    H3*    U  11           H3*        U  11   6.738  16.757  -0.472
  116    H2*    U  11           H2*        U  11   5.009  15.986  -1.800
  117   2HO*    U  11          2HO*        U  11   5.359  15.457  -4.008
  118    H1*    U  11           H1*        U  11   6.254  13.576  -2.789
  119    H3     U  11           H3         U  11   2.173  11.963  -1.871
  120    H5     U  11           H5         U  11   3.398  13.616   1.809
  121    H6     U  11           H6         U  11   5.404  14.425   0.703
  122   1H5*    G  12          1H5*        G  12   4.794  20.247  -2.505
  123   2H5*    G  12          2H5*        G  12   4.600  18.862  -1.412
  124    H4*    G  12           H4*        G  12   3.474  19.041  -4.237
  125    H3*    G  12           H3*        G  12   2.290  19.584  -1.496
  126    H2*    G  12           H2*        G  12   0.252  18.570  -2.184
  127   2HO*    G  12          2HO*        G  12   1.118  19.357  -4.643
  128    H1*    G  12           H1*        G  12   1.331  16.410  -3.425
  129    H8     G  12           H8         G  12   3.417  17.314  -0.399
  130    H1     G  12           H1         G  12  -1.937  14.211   1.133
  131   1H2     G  12          1H2         G  12  -3.253  14.050  -0.648
  132   2H2     G  12          2H2         G  12  -2.736  14.560  -2.240
  133   1H5*    U  13          1H5*        U  13  -0.193  23.292  -3.260
  134   2H5*    U  13          2H5*        U  13  -0.444  23.939  -1.628
  135    H4*    U  13           H4*        U  13  -2.337  22.732  -1.306
  136    H3*    U  13           H3*        U  13  -0.620  20.541  -1.915
  137    H2*    U  13           H2*        U  13  -1.477  19.636  -3.857
  138   2HO*    U  13          2HO*        U  13  -4.153  20.223  -3.206
  139    H1*    U  13           H1*        U  13  -3.379  21.417  -4.790
  140    H3     U  13           H3         U  13  -0.863  22.703  -8.276
  141    H5     U  13           H5         U  13   1.988  21.366  -5.476
  142    H6     U  13           H6         U  13   0.186  21.055  -3.884
  143   1H5*    A  14          1H5*        A  14  -5.149  18.590  -0.372
  144   2H5*    A  14          2H5*        A  14  -4.764  16.860  -0.481
  145    H4*    A  14           H4*        A  14  -6.757  17.968  -1.896
  146    H3*    A  14           H3*        A  14  -4.882  15.682  -2.491
  147    H2*    A  14           H2*        A  14  -5.529  15.565  -4.736
  148   2HO*    A  14          2HO*        A  14  -7.589  16.798  -5.313
  149    H1*    A  14           H1*        A  14  -6.126  18.243  -5.216
  150    H8     A  14           H8         A  14  -2.748  17.733  -3.575
  151   1H6     A  14          2H6         A  14  -0.312  16.170  -8.387
  152   2H6     A  14          1H6         A  14  -0.214  17.916  -8.393
  153    H2     A  14           H2         A  14  -4.945  17.020  -9.543
  154   1H5*    A  15          1H5*        A  15  -8.920  12.147  -3.582
  155   2H5*    A  15          2H5*        A  15  -7.330  11.519  -3.105
  156    H4*    A  15           H4*        A  15  -8.493  11.488  -5.687
  157    H3*    A  15           H3*        A  15  -5.875  10.688  -4.442
  158    H2*    A  15           H2*        A  15  -4.671  10.812  -6.462
  159   2HO*    A  15          2HO*        A  15  -6.251  11.337  -8.418
  160    H1*    A  15           H1*        A  15  -5.702  13.074  -7.501
  161    H8     A  15           H8         A  15  -5.435  12.954  -3.654
  162   1H6     A  15          1H6         A  15   0.076  15.596  -4.360
  163   2H6     A  15          2H6         A  15  -1.041  14.911  -3.202
  164    H2     A  15           H2         A  15  -1.518  14.592  -8.440
  165   1H5*    A  16          1H5*        A  16  -5.494   9.105  -8.049
  166   2H5*    A  16          2H5*        A  16  -5.112   7.376  -7.934
  167    H4*    A  16           H4*        A  16  -3.333   8.580  -9.133
  168    H3*    A  16           H3*        A  16  -2.747   7.370  -6.419
  169    H2*    A  16           H2*        A  16  -0.522   8.160  -6.508
  170   2HO*    A  16          2HO*        A  16  -0.549   9.211  -9.064
  171    H1*    A  16           H1*        A  16  -1.003  10.616  -7.637
  172    H8     A  16           H8         A  16  -3.561   9.595  -4.998
  173   1H6     A  16          1H6         A  16   0.265  12.009  -0.819
  174   2H6     A  16          2H6         A  16  -1.281  11.229  -1.062
  175    H2     A  16           H2         A  16   2.373  11.984  -4.789
  176   1H5*    C  17          1H5*        C  17   0.406   6.855  -8.976
  177   2H5*    C  17          2H5*        C  17   0.944   5.170  -9.119
  178    H4*    C  17           H4*        C  17   2.911   6.457  -8.680
  179    H3*    C  17           H3*        C  17   1.833   4.992  -6.245
  180    H2*    C  17           H2*        C  17   3.615   5.837  -4.968
  181   2HO*    C  17          2HO*        C  17   4.948   6.650  -7.356
  182    H1*    C  17           H1*        C  17   3.851   8.322  -6.226
  183   1H4     C  17          1H4         C  17   1.124   8.768  -0.426
  184   2H4     C  17          2H4         C  17  -0.356   9.172  -1.265
  185    H5     C  17           H5         C  17  -0.504   7.333  -3.164
  186    H6     C  17           H6         C  17   0.629   6.780  -5.261
  187   1H5*    C  18          1H5*        C  18   5.926   4.672  -7.006
  188   2H5*    C  18          2H5*        C  18   6.471   3.003  -7.259
  189    H4*    C  18           H4*        C  18   8.223   3.923  -6.011
  190    H3*    C  18           H3*        C  18   6.234   2.532  -4.180
  191    H2*    C  18           H2*        C  18   7.569   3.142  -2.306
  192   2HO*    C  18          2HO*        C  18   9.675   3.936  -2.543
  193    H1*    C  18           H1*        C  18   8.055   5.718  -3.035
  194   1H4     C  18          1H4         C  18   2.726   6.063   0.413
  195   2H4     C  18          2H4         C  18   1.781   5.485  -0.942
  196    H5     C  18           H5         C  18   2.782   4.546  -2.927
  197    H6     C  18           H6         C  18   4.874   4.238  -4.164
  198   1H5*    U  19          1H5*        U  19   9.849   0.748  -3.115
  199   2H5*    U  19          2H5*        U  19   9.629  -0.852  -2.378
  200    H4*    U  19           H4*        U  19  10.237   0.954  -0.737
  201    H3*    U  19           H3*        U  19   7.705  -0.689  -0.543
  202    H2*    U  19           H2*        U  19   6.977   0.521   1.346
  203   2HO*    U  19          2HO*        U  19   9.605   1.645   1.522
  204    H1*    U  19           H1*        U  19   7.791   3.030   0.592
  205    H3     U  19           H3         U  19   3.261   3.095   0.529
  206    H5     U  19           H5         U  19   4.319   1.024  -2.987
  207    H6     U  19           H6         U  19   6.624   1.049  -2.231
  208   1H5*    A  20          1H5*        A  20   8.355  -4.587   2.132
  209   2H5*    A  20          2H5*        A  20   6.746  -3.919   2.474
  210    H4*    A  20           H4*        A  20   9.396  -3.273   3.713
  211    H3*    A  20           H3*        A  20   6.558  -3.761   4.613
  212    H2*    A  20           H2*        A  20   6.702  -2.174   6.343
  213   2HO*    A  20          2HO*        A  20   8.514  -1.906   7.416
  214    H1*    A  20           H1*        A  20   8.163  -0.237   5.094
  215    H8     A  20           H8         A  20   5.645  -1.799   2.720
  216   1H6     A  20          2H6         A  20   1.895   2.291   4.030
  217   2H6     A  20          1H6         A  20   1.391   0.774   4.744
  218    H2     A  20           H2         A  20   5.215   2.439   7.496
  219   1H5*    U  21          1H5*        U  21   8.141  -4.251   8.143
  220   2H5*    U  21          2H5*        U  21   7.934  -5.869   8.845
  221    H4*    U  21           H4*        U  21   6.848  -4.491  10.402
  222    H3*    U  21           H3*        U  21   4.901  -5.645   8.390
  223    H2*    U  21           H2*        U  21   3.130  -4.420   9.325
  224   2HO*    U  21          2HO*        U  21   4.238  -5.078  11.567
  225    H1*    U  21           H1*        U  21   4.553  -2.145  10.116
  226    H3     U  21           H3         U  21   1.773  -0.235   7.175
  227    H5     U  21           H5         U  21   3.870  -3.024   4.812
  228    H6     U  21           H6         U  21   4.973  -3.803   6.828
  229   1H5*    C  22          1H5*        C  22   3.092  -6.455  12.116
  230   2H5*    C  22          2H5*        C  22   2.603  -8.157  12.249
  231    H4*    C  22           H4*        C  22   0.660  -6.740  12.646
  232    H3*    C  22           H3*        C  22   0.748  -8.261  10.020
  233    H2*    C  22           H2*        C  22  -1.362  -7.405   9.436
  234   2HO*    C  22          2HO*        C  22  -1.672  -7.370  12.169
  235    H1*    C  22           H1*        C  22  -1.018  -4.816  10.541
  236   1H4     C  22          1H4         C  22  -0.149  -4.342   4.239
  237   2H4     C  22          2H4         C  22   1.463  -5.003   4.391
  238    H5     C  22           H5         C  22   2.256  -6.050   6.416
  239    H6     C  22           H6         C  22   1.810  -6.401   8.799
  240   1H5*    G  23          1H5*        G  23  -3.049  -8.689  11.621
  241   2H5*    G  23          2H5*        G  23  -3.643 -10.358  11.509
  242    H4*    G  23           H4*        G  23  -5.227  -8.848  10.420
  243    H3*    G  23           H3*        G  23  -3.599 -10.653   8.586
  244    H2*    G  23           H2*        G  23  -4.829  -9.808   6.765
  245   2HO*    G  23          2HO*        G  23  -6.776  -8.349   7.580
  246    H1*    G  23           H1*        G  23  -5.186  -7.200   7.761
  247    H8     G  23           H8         G  23  -1.644  -8.649   7.673
  248    H1     G  23           H1         G  23  -3.444  -5.909   2.204
  249   1H2     G  23          1H2         G  23  -5.558  -5.141   2.434
  250   2H2     G  23          2H2         G  23  -6.620  -5.919   3.584
  251   1H5*    C  24          1H5*        C  24  -8.109 -11.003   8.120
  252   2H5*    C  24          2H5*        C  24  -8.447 -12.740   8.244
  253    H4*    C  24           H4*        C  24  -9.822 -12.074   6.467
  254    H3*    C  24           H3*        C  24  -7.178 -13.160   5.462
  255    H2*    C  24           H2*        C  24  -7.803 -12.696   3.233
  256   2HO*    C  24          2HO*        C  24 -10.459 -12.380   4.247
  257    H1*    C  24           H1*        C  24  -9.069 -10.294   3.650
  258   1H4     C  24          1H4         C  24  -3.146  -9.005   1.686
  259   2H4     C  24          2H4         C  24  -2.551  -9.196   3.319
  260    H5     C  24           H5         C  24  -3.815 -10.490   4.954
  261    H6     C  24           H6         C  24  -6.072 -11.187   5.620
  262   1H5*    U  25          1H5*        U  25 -10.331 -14.364   2.890
  263   2H5*    U  25          2H5*        U  25 -10.413 -16.138   2.913
  264    H4*    U  25           H4*        U  25 -10.579 -15.547   0.619
  265    H3*    U  25           H3*        U  25  -7.795 -16.433   1.430
  266    H2*    U  25           H2*        U  25  -7.004 -16.051  -0.759
  267   2HO*    U  25          2HO*        U  25  -9.638 -15.645  -1.744
  268    H1*    U  25           H1*        U  25  -8.461 -13.774  -1.330
  269    H3     U  25           H3         U  25  -4.300 -12.090  -1.187
  270    H5     U  25           H5         U  25  -4.930 -13.431   2.760
  271    H6     U  25           H6         U  25  -7.057 -14.340   2.040
  272   1H5*    C  26          1H5*        C  26  -9.154 -17.865  -2.145
  273   2H5*    C  26          2H5*        C  26  -8.937 -19.589  -2.505
  274    H4*    C  26           H4*        C  26  -8.138 -18.297  -4.399
  275    H3*    C  26           H3*        C  26  -6.017 -19.621  -2.676
  276    H2*    C  26           H2*        C  26  -4.335 -18.781  -4.112
  277   2HO*    C  26          2HO*        C  26  -4.684 -18.400  -6.199
  278    H1*    C  26           H1*        C  26  -5.428 -16.292  -4.563
  279   1H4     C  26          1H4         C  26  -1.079 -15.550   0.022
  280   2H4     C  26          2H4         C  26  -2.134 -16.310   1.192
  281    H5     C  26           H5         C  26  -4.199 -17.397   0.589
  282    H6     C  26           H6         C  26  -5.790 -17.820  -1.226
  283   1H5*    C  27          1H5*        C  27  -5.925 -20.229  -6.885
  284   2H5*    C  27          2H5*        C  27  -5.412 -21.813  -7.498
  285    H4*    C  27           H4*        C  27  -4.237 -19.907  -8.588
  286    H3*    C  27           H3*        C  27  -2.736 -21.984  -7.006
  287    H2*    C  27           H2*        C  27  -0.678 -20.935  -7.498
  288   2HO*    C  27          2HO*        C  27  -1.626 -20.373  -9.763
  289    H1*    C  27           H1*        C  27  -1.455 -18.405  -6.952
  290   1H4     C  27          1H4         C  27   0.433 -20.916  -1.398
  291   2H4     C  27          2H4         C  27  -1.120 -21.698  -1.212
  292    H5     C  27           H5         C  27  -2.823 -21.675  -2.930
  293    H6     C  27           H6         C  27  -3.418 -20.857  -5.135
  294    H3T    C  27           H3T        C  27  -3.239 -22.843  -8.900
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   9.556 -15.783   1.706
    2   2H5*    G   1          2H5*        G   1   8.654 -17.297   1.901
    3    H4*    G   1           H4*        G   1   9.200 -16.378  -0.897
    4    H3*    G   1           H3*        G   1   7.768 -14.712   1.073
    5    H2*    G   1           H2*        G   1   5.633 -15.307   0.449
    6   2HO*    G   1          2HO*        G   1   6.683 -14.472  -2.058
    7    H1*    G   1           H1*        G   1   6.407 -16.914  -1.937
    8    H8     G   1           H8         G   1   5.582 -17.937   1.686
    9    H1     G   1           H1         G   1   0.903 -19.087  -2.499
   10   1H2     G   1          1H2         G   1   1.412 -18.151  -4.463
   11   2H2     G   1          2H2         G   1   3.042 -17.632  -4.827
   12    H5T    G   1           H5T        G   1  11.206 -17.006   1.383
   13   1H5*    G   2          1H5*        G   2   7.941 -13.352  -3.536
   14   2H5*    G   2          2H5*        G   2   7.896 -11.578  -3.569
   15    H4*    G   2           H4*        G   2   6.521 -12.419  -5.384
   16    H3*    G   2           H3*        G   2   5.042 -11.224  -3.015
   17    H2*    G   2           H2*        G   2   2.990 -11.612  -4.118
   18   2HO*    G   2          2HO*        G   2   3.317 -12.477  -6.472
   19    H1*    G   2           H1*        G   2   3.619 -14.055  -5.251
   20    H8     G   2           H8         G   2   4.628 -13.425  -1.603
   21    H1     G   2           H1         G   2  -1.279 -15.725  -2.287
   22   1H2     G   2          1H2         G   2  -1.850 -15.708  -4.443
   23   2H2     G   2          2H2         G   2  -0.661 -15.470  -5.703
   24   1H5*    A   3          1H5*        A   3   4.053  -9.393  -7.035
   25   2H5*    A   3          2H5*        A   3   3.696  -7.664  -6.855
   26    H4*    A   3           H4*        A   3   1.945  -8.804  -8.168
   27    H3*    A   3           H3*        A   3   1.205  -7.734  -5.415
   28    H2*    A   3           H2*        A   3  -1.052  -8.365  -5.862
   29   2HO*    A   3          2HO*        A   3  -0.649  -9.389  -8.403
   30    H1*    A   3           H1*        A   3  -0.494 -10.824  -6.883
   31    H8     A   3           H8         A   3   1.827  -9.781  -4.035
   32   1H6     A   3          1H6         A   3  -2.321 -12.180  -0.203
   33   2H6     A   3          2H6         A   3  -0.922 -11.132  -0.271
   34    H2     A   3           H2         A   3  -4.146 -12.062  -4.326
   35   1H5*    G   4          1H5*        G   4  -1.635  -7.124  -8.059
   36   2H5*    G   4          2H5*        G   4  -1.845  -5.417  -8.497
   37    H4*    G   4           H4*        G   4  -4.049  -6.186  -8.409
   38    H3*    G   4           H3*        G   4  -3.299  -5.006  -5.694
   39    H2*    G   4           H2*        G   4  -5.548  -5.434  -4.994
   40   2HO*    G   4          2HO*        G   4  -6.472  -4.938  -7.149
   41    H1*    G   4           H1*        G   4  -5.545  -8.008  -5.728
   42    H8     G   4           H8         G   4  -2.035  -6.656  -4.997
   43    H1     G   4           H1         G   4  -5.168  -8.596   0.166
   44   1H2     G   4          1H2         G   4  -7.249  -9.172  -0.365
   45   2H2     G   4          2H2         G   4  -7.912  -8.862  -1.953
   46   1H5*    C   5          1H5*        C   5  -6.594  -3.630  -5.933
   47   2H5*    C   5          2H5*        C   5  -6.820  -1.869  -5.974
   48    H4*    C   5           H4*        C   5  -8.073  -2.568  -4.094
   49    H3*    C   5           H3*        C   5  -5.330  -1.507  -3.382
   50    H2*    C   5           H2*        C   5  -5.637  -2.029  -1.123
   51   2HO*    C   5          2HO*        C   5  -7.664  -2.202  -0.178
   52    H1*    C   5           H1*        C   5  -7.217  -4.309  -1.398
   53   1H4     C   5          1H4         C   5  -1.422  -6.197   0.396
   54   2H4     C   5          2H4         C   5  -0.770  -5.831  -1.186
   55    H5     C   5           H5         C   5  -2.070  -4.795  -2.945
   56    H6     C   5           H6         C   5  -4.272  -3.912  -3.559
   57   1H5*    G   6          1H5*        G   6  -8.331  -0.251  -0.688
   58   2H5*    G   6          2H5*        G   6  -8.429   1.519  -0.610
   59    H4*    G   6           H4*        G   6  -8.544   0.791   1.652
   60    H3*    G   6           H3*        G   6  -5.790   1.764   0.834
   61    H2*    G   6           H2*        G   6  -4.944   1.258   2.968
   62   2HO*    G   6          2HO*        G   6  -6.324   1.003   4.779
   63    H1*    G   6           H1*        G   6  -6.506  -0.995   3.509
   64    H8     G   6           H8         G   6  -4.615  -0.597   0.174
   65    H1     G   6           H1         G   6  -1.387  -3.749   4.681
   66   1H2     G   6          1H2         G   6  -2.568  -3.784   6.567
   67   2H2     G   6          2H2         G   6  -3.965  -2.757   6.795
   68   1H5*    G   7          1H5*        G   7  -6.565   2.841   4.493
   69   2H5*    G   7          2H5*        G   7  -6.460   4.569   4.888
   70    H4*    G   7           H4*        G   7  -5.119   3.570   6.536
   71    H3*    G   7           H3*        G   7  -3.484   4.570   4.199
   72    H2*    G   7           H2*        G   7  -1.515   3.666   5.094
   73   2HO*    G   7          2HO*        G   7  -1.529   2.956   7.387
   74    H1*    G   7           H1*        G   7  -2.564   1.393   6.293
   75    H8     G   7           H8         G   7  -3.167   2.710   2.691
   76    H1     G   7           H1         G   7   0.926  -2.158   3.128
   77   1H2     G   7          1H2         G   7   1.108  -2.804   5.248
   78   2H2     G   7          2H2         G   7   0.471  -1.841   6.562
   79   1H5*    G   8          1H5*        G   8  -1.957   5.678   8.433
   80   2H5*    G   8          2H5*        G   8  -1.898   7.450   8.368
   81    H4*    G   8           H4*        G   8  -0.013   6.696   9.670
   82    H3*    G   8           H3*        G   8   0.515   7.831   6.934
   83    H2*    G   8           H2*        G   8   2.805   7.261   6.983
   84   2HO*    G   8          2HO*        G   8   3.343   6.221   9.313
   85    H1*    G   8           H1*        G   8   2.648   4.794   8.063
   86    H8     G   8           H8         G   8  -0.401   5.328   5.914
   87    H1     G   8           H1         G   8   4.784   3.857   2.513
   88   1H2     G   8          1H2         G   8   6.588   3.971   3.797
   89   2H2     G   8          2H2         G   8   6.507   4.374   5.497
   90   1H5*    G   9          1H5*        G   9   3.480   9.495   9.566
   91   2H5*    G   9          2H5*        G   9   3.514  11.267   9.455
   92    H4*    G   9           H4*        G   9   5.773  10.424   9.166
   93    H3*    G   9           H3*        G   9   4.358  11.624   6.787
   94    H2*    G   9           H2*        G   9   6.158  11.084   5.335
   95   2HO*    G   9          2HO*        G   9   8.126  10.112   6.382
   96    H1*    G   9           H1*        G   9   6.640   8.586   6.172
   97    H8     G   9           H8         G   9   2.940   9.548   6.419
   98    H1     G   9           H1         G   9   4.619   7.148   0.750
   99   1H2     G   9          1H2         G   9   6.811   6.752   0.728
  100   2H2     G   9          2H2         G   9   7.877   7.495   1.898
  101   1H5*    G  10          1H5*        G  10   8.006  12.458   6.238
  102   2H5*    G  10          2H5*        G  10   8.454  14.173   6.142
  103    H4*    G  10           H4*        G  10   9.347  13.307   4.157
  104    H3*    G  10           H3*        G  10   6.565  14.419   3.657
  105    H2*    G  10           H2*        G  10   6.751  13.804   1.381
  106   2HO*    G  10          2HO*        G  10   9.514  13.889   1.952
  107    H1*    G  10           H1*        G  10   8.110  11.417   1.744
  108    H8     G  10           H8         G  10   5.093  12.272   3.976
  109    H1     G  10           H1         G  10   3.589   9.083  -1.328
  110   1H2     G  10          1H2         G  10   5.375   8.876  -2.625
  111   2H2     G  10          2H2         G  10   6.922   9.584  -2.214
  112   1H5*    U  11          1H5*        U  11   8.728  15.281   0.570
  113   2H5*    U  11          2H5*        U  11   8.818  16.998   0.139
  114    H4*    U  11           H4*        U  11   8.161  15.894  -1.860
  115    H3*    U  11           H3*        U  11   5.918  17.264  -0.372
  116    H2*    U  11           H2*        U  11   4.298  16.301  -1.716
  117   2HO*    U  11          2HO*        U  11   5.747  15.662  -3.950
  118    H1*    U  11           H1*        U  11   5.875  14.140  -2.809
  119    H3     U  11           H3         U  11   2.096  11.883  -1.938
  120    H5     U  11           H5         U  11   3.057  13.615   1.786
  121    H6     U  11           H6         U  11   4.913  14.753   0.703
  122   1H5*    G  12          1H5*        G  12   3.608  20.068  -1.002
  123   2H5*    G  12          2H5*        G  12   4.072  18.355  -0.960
  124    H4*    G  12           H4*        G  12   2.605  19.292  -3.390
  125    H3*    G  12           H3*        G  12   1.417  19.265  -0.602
  126    H2*    G  12           H2*        G  12  -0.536  18.192  -1.425
  127   2HO*    G  12          2HO*        G  12  -0.809  17.923  -3.746
  128    H1*    G  12           H1*        G  12   0.692  16.366  -3.022
  129    H8     G  12           H8         G  12   2.627  17.168   0.177
  130    H1     G  12           H1         G  12  -1.921  12.780   1.003
  131   1H2     G  12          1H2         G  12  -3.326  12.858  -0.794
  132   2H2     G  12          2H2         G  12  -2.594  13.227  -2.340
  133   1H5*    U  13          1H5*        U  13  -1.487  22.863  -2.377
  134   2H5*    U  13          2H5*        U  13  -2.107  23.299  -0.773
  135    H4*    U  13           H4*        U  13  -3.959  22.021  -1.010
  136    H3*    U  13           H3*        U  13  -2.037  19.949  -1.395
  137    H2*    U  13           H2*        U  13  -2.389  19.208  -3.551
  138   2HO*    U  13          2HO*        U  13  -5.182  19.649  -3.386
  139    H1*    U  13           H1*        U  13  -4.121  21.008  -4.742
  140    H3     U  13           H3         U  13  -0.943  22.702  -7.423
  141    H5     U  13           H5         U  13   1.256  21.212  -4.152
  142    H6     U  13           H6         U  13  -0.846  20.693  -3.059
  143   1H5*    A  14          1H5*        A  14  -6.227  17.243  -0.154
  144   2H5*    A  14          2H5*        A  14  -5.589  15.614  -0.463
  145    H4*    A  14           H4*        A  14  -7.551  16.790  -1.952
  146    H3*    A  14           H3*        A  14  -5.513  14.636  -2.495
  147    H2*    A  14           H2*        A  14  -5.818  14.728  -4.800
  148   2HO*    A  14          2HO*        A  14  -7.778  15.080  -5.711
  149    H1*    A  14           H1*        A  14  -6.724  17.391  -5.073
  150    H8     A  14           H8         A  14  -3.371  17.213  -3.404
  151   1H6     A  14          1H6         A  14  -0.833  17.849  -8.436
  152   2H6     A  14          2H6         A  14  -0.571  16.205  -7.900
  153    H2     A  14           H2         A  14  -5.305  16.362  -9.442
  154   1H5*    A  15          1H5*        A  15  -8.920  11.177  -3.837
  155   2H5*    A  15          2H5*        A  15  -7.532  10.188  -3.338
  156    H4*    A  15           H4*        A  15  -8.402  10.301  -5.892
  157    H3*    A  15           H3*        A  15  -5.726   9.785  -4.636
  158    H2*    A  15           H2*        A  15  -4.521  10.087  -6.643
  159   2HO*    A  15          2HO*        A  15  -6.577  10.489  -8.408
  160    H1*    A  15           H1*        A  15  -5.769  12.260  -7.620
  161    H8     A  15           H8         A  15  -5.537  11.920  -3.780
  162   1H6     A  15          1H6         A  15  -0.514  15.420  -4.161
  163   2H6     A  15          2H6         A  15  -1.386  14.324  -3.113
  164    H2     A  15           H2         A  15  -1.833  14.422  -8.358
  165   1H5*    A  16          1H5*        A  16  -5.114   8.272  -8.094
  166   2H5*    A  16          2H5*        A  16  -4.625   6.567  -8.048
  167    H4*    A  16           H4*        A  16  -2.890   7.827  -9.177
  168    H3*    A  16           H3*        A  16  -2.273   6.823  -6.386
  169    H2*    A  16           H2*        A  16  -0.123   7.810  -6.471
  170   2HO*    A  16          2HO*        A  16  -0.610   7.879  -9.272
  171    H1*    A  16           H1*        A  16  -0.813  10.167  -7.670
  172    H8     A  16           H8         A  16  -3.363   8.898  -5.121
  173   1H6     A  16          2H6         A  16   0.076  11.544  -0.781
  174   2H6     A  16          1H6         A  16  -1.568  11.100  -1.179
  175    H2     A  16           H2         A  16   2.218  12.007  -4.721
  176   1H5*    C  17          1H5*        C  17   0.891   6.355  -8.949
  177   2H5*    C  17          2H5*        C  17   1.640   4.747  -8.985
  178    H4*    C  17           H4*        C  17   3.414   6.347  -8.693
  179    H3*    C  17           H3*        C  17   2.642   4.840  -6.168
  180    H2*    C  17           H2*        C  17   4.343   5.983  -4.998
  181   2HO*    C  17          2HO*        C  17   6.182   6.467  -5.941
  182    H1*    C  17           H1*        C  17   4.100   8.440  -6.274
  183   1H4     C  17          1H4         C  17   1.409   8.507  -0.453
  184   2H4     C  17          2H4         C  17  -0.144   8.548  -1.255
  185    H5     C  17           H5         C  17  -0.050   6.821  -3.196
  186    H6     C  17           H6         C  17   1.135   6.455  -5.307
  187   1H5*    C  18          1H5*        C  18   6.830   4.912  -6.920
  188   2H5*    C  18          2H5*        C  18   7.483   3.269  -7.072
  189    H4*    C  18           H4*        C  18   9.108   4.371  -5.785
  190    H3*    C  18           H3*        C  18   7.151   2.853  -4.026
  191    H2*    C  18           H2*        C  18   8.317   3.612  -2.094
  192   2HO*    C  18          2HO*        C  18  10.340   4.466  -3.928
  193    H1*    C  18           H1*        C  18   8.649   6.202  -2.856
  194   1H4     C  18          1H4         C  18   3.104   6.337   0.240
  195   2H4     C  18          2H4         C  18   2.326   5.407  -1.020
  196    H5     C  18           H5         C  18   3.480   4.617  -2.978
  197    H6     C  18           H6         C  18   5.650   4.446  -4.102
  198   1H5*    U  19          1H5*        U  19  10.906   1.181  -2.740
  199   2H5*    U  19          2H5*        U  19  10.601  -0.382  -1.956
  200    H4*    U  19           H4*        U  19  11.156   1.568  -0.397
  201    H3*    U  19           H3*        U  19   8.757  -0.252  -0.173
  202    H2*    U  19           H2*        U  19   7.844   0.990   1.604
  203   2HO*    U  19          2HO*        U  19   9.809   1.095   2.810
  204    H1*    U  19           H1*        U  19   8.536   3.524   0.788
  205    H3     U  19           H3         U  19   4.013   3.283   0.606
  206    H5     U  19           H5         U  19   5.310   1.216  -2.832
  207    H6     U  19           H6         U  19   7.583   1.415  -2.010
  208   1H5*    A  20          1H5*        A  20   9.727  -4.070   2.426
  209   2H5*    A  20          2H5*        A  20   8.007  -3.670   2.601
  210    H4*    A  20           H4*        A  20  10.349  -2.798   4.221
  211    H3*    A  20           H3*        A  20   7.432  -3.476   4.663
  212    H2*    A  20           H2*        A  20   7.302  -2.012   6.505
  213   2HO*    A  20          2HO*        A  20   8.952  -1.966   7.823
  214    H1*    A  20           H1*        A  20   8.842   0.042   5.547
  215    H8     A  20           H8         A  20   6.585  -1.429   2.866
  216   1H6     A  20          1H6         A  20   1.997   1.717   5.083
  217   2H6     A  20          2H6         A  20   2.798   1.823   3.532
  218    H2     A  20           H2         A  20   5.637   2.541   7.797
  219   1H5*    U  21          1H5*        U  21   8.475  -4.130   8.318
  220   2H5*    U  21          2H5*        U  21   8.271  -5.801   8.882
  221    H4*    U  21           H4*        U  21   6.890  -4.596  10.343
  222    H3*    U  21           H3*        U  21   5.337  -5.730   8.009
  223    H2*    U  21           H2*        U  21   3.384  -4.627   8.667
  224   2HO*    U  21          2HO*        U  21   4.504  -4.215  11.261
  225    H1*    U  21           H1*        U  21   4.532  -2.371   9.892
  226    H3     U  21           H3         U  21   2.234  -0.172   6.758
  227    H5     U  21           H5         U  21   4.515  -2.895   4.487
  228    H6     U  21           H6         U  21   5.363  -3.814   6.566
  229   1H5*    C  22          1H5*        C  22   3.276  -6.669  11.686
  230   2H5*    C  22          2H5*        C  22   2.779  -8.372  11.767
  231    H4*    C  22           H4*        C  22   0.859  -6.919  12.228
  232    H3*    C  22           H3*        C  22   0.895  -8.482   9.629
  233    H2*    C  22           H2*        C  22  -1.183  -7.589   9.012
  234   2HO*    C  22          2HO*        C  22  -2.129  -6.210  11.026
  235    H1*    C  22           H1*        C  22  -0.840  -5.001  10.128
  236   1H4     C  22          1H4         C  22   0.165  -4.196   3.902
  237   2H4     C  22          2H4         C  22   1.468  -5.363   3.904
  238    H5     C  22           H5         C  22   2.316  -6.360   5.933
  239    H6     C  22           H6         C  22   1.877  -6.744   8.312
  240   1H5*    G  23          1H5*        G  23  -2.839  -8.643  11.236
  241   2H5*    G  23          2H5*        G  23  -3.601 -10.244  11.180
  242    H4*    G  23           H4*        G  23  -5.034  -8.621  10.050
  243    H3*    G  23           H3*        G  23  -3.601 -10.630   8.269
  244    H2*    G  23           H2*        G  23  -4.675  -9.693   6.407
  245   2HO*    G  23          2HO*        G  23  -6.523  -8.173   7.873
  246    H1*    G  23           H1*        G  23  -4.892  -7.048   7.400
  247    H8     G  23           H8         G  23  -1.476  -8.772   7.223
  248    H1     G  23           H1         G  23  -3.143  -5.773   1.850
  249   1H2     G  23          1H2         G  23  -5.228  -5.036   2.014
  250   2H2     G  23          2H2         G  23  -6.231  -5.353   3.410
  251   1H5*    C  24          1H5*        C  24  -8.150 -10.462   7.874
  252   2H5*    C  24          2H5*        C  24  -8.704 -12.147   7.942
  253    H4*    C  24           H4*        C  24  -9.991 -11.218   6.205
  254    H3*    C  24           H3*        C  24  -7.548 -12.664   5.135
  255    H2*    C  24           H2*        C  24  -8.144 -12.070   2.931
  256   2HO*    C  24          2HO*        C  24 -10.614 -10.929   3.553
  257    H1*    C  24           H1*        C  24  -9.082  -9.523   3.435
  258   1H4     C  24          1H4         C  24  -3.100  -9.135   1.209
  259   2H4     C  24          2H4         C  24  -2.538  -9.022   2.862
  260    H5     C  24           H5         C  24  -3.847 -10.391   4.500
  261    H6     C  24           H6         C  24  -6.142 -10.826   5.249
  262   1H5*    U  25          1H5*        U  25 -10.766 -13.456   2.527
  263   2H5*    U  25          2H5*        U  25 -11.089 -15.201   2.573
  264    H4*    U  25           H4*        U  25 -11.086 -14.691   0.269
  265    H3*    U  25           H3*        U  25  -8.418 -15.792   1.200
  266    H2*    U  25           H2*        U  25  -7.524 -15.536  -0.973
  267   2HO*    U  25          2HO*        U  25  -9.098 -14.908  -2.724
  268    H1*    U  25           H1*        U  25  -8.705 -13.136  -1.619
  269    H3     U  25           H3         U  25  -4.436 -11.821  -1.210
  270    H5     U  25           H5         U  25  -5.401 -13.151   2.675
  271    H6     U  25           H6         U  25  -7.561 -13.852   1.825
  272   1H5*    C  26          1H5*        C  26  -9.830 -17.436  -2.469
  273   2H5*    C  26          2H5*        C  26  -9.604 -19.188  -2.636
  274    H4*    C  26           H4*        C  26  -8.718 -18.004  -4.604
  275    H3*    C  26           H3*        C  26  -6.796 -19.435  -2.746
  276    H2*    C  26           H2*        C  26  -4.962 -18.764  -4.072
  277   2HO*    C  26          2HO*        C  26  -6.074 -17.526  -6.170
  278    H1*    C  26           H1*        C  26  -5.833 -16.226  -4.724
  279   1H4     C  26          1H4         C  26  -1.726 -15.478   0.065
  280   2H4     C  26          2H4         C  26  -2.906 -16.067   1.214
  281    H5     C  26           H5         C  26  -5.029 -17.002   0.560
  282    H6     C  26           H6         C  26  -6.528 -17.457  -1.325
  283   1H5*    C  27          1H5*        C  27  -6.399 -20.372  -7.064
  284   2H5*    C  27          2H5*        C  27  -6.008 -22.080  -7.348
  285    H4*    C  27           H4*        C  27  -4.515 -20.543  -8.596
  286    H3*    C  27           H3*        C  27  -3.415 -22.363  -6.465
  287    H2*    C  27           H2*        C  27  -1.222 -21.580  -6.852
  288   2HO*    C  27          2HO*        C  27  -0.957 -19.956  -8.638
  289    H1*    C  27           H1*        C  27  -1.811 -18.943  -6.915
  290   1H4     C  27          1H4         C  27  -0.875 -20.349  -0.763
  291   2H4     C  27          2H4         C  27  -2.469 -21.064  -0.667
  292    H5     C  27           H5         C  27  -3.941 -21.272  -2.574
  293    H6     C  27           H6         C  27  -4.187 -20.877  -4.953
  294    H3T    C  27           H3T        C  27  -3.473 -22.219  -9.312
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   9.436 -18.124   0.443
    2   2H5*    G   1          2H5*        G   1   8.366 -19.524   0.649
    3    H4*    G   1           H4*        G   1   9.066 -18.760  -2.157
    4    H3*    G   1           H3*        G   1   7.824 -16.857  -0.274
    5    H2*    G   1           H2*        G   1   5.644 -17.197  -0.928
    6   2HO*    G   1          2HO*        G   1   6.169 -17.068  -3.662
    7    H1*    G   1           H1*        G   1   6.251 -18.970  -3.242
    8    H8     G   1           H8         G   1   5.273 -19.874   0.360
    9    H1     G   1           H1         G   1   0.461 -20.245  -3.811
   10   1H2     G   1          1H2         G   1   1.137 -19.556  -5.810
   11   2H2     G   1          2H2         G   1   2.724 -18.868  -6.077
   12    H5T    G   1           H5T        G   1  10.017 -20.376  -1.076
   13   1H5*    G   2          1H5*        G   2   7.862 -15.693  -4.837
   14   2H5*    G   2          2H5*        G   2   8.126 -13.943  -4.964
   15    H4*    G   2           H4*        G   2   6.395 -14.486  -6.532
   16    H3*    G   2           H3*        G   2   5.369 -13.222  -3.963
   17    H2*    G   2           H2*        G   2   3.179 -13.288  -4.854
   18   2HO*    G   2          2HO*        G   2   3.108 -14.067  -7.238
   19    H1*    G   2           H1*        G   2   3.374 -15.743  -6.115
   20    H8     G   2           H8         G   2   4.830 -15.612  -2.593
   21    H1     G   2           H1         G   2  -1.476 -16.539  -2.713
   22   1H2     G   2          1H2         G   2  -2.136 -16.638  -4.902
   23   2H2     G   2          2H2         G   2  -1.286 -15.592  -6.015
   24   1H5*    A   3          1H5*        A   3   4.048 -11.033  -7.676
   25   2H5*    A   3          2H5*        A   3   4.129  -9.288  -7.362
   26    H4*    A   3           H4*        A   3   1.976  -9.850  -8.380
   27    H3*    A   3           H3*        A   3   1.932  -9.042  -5.445
   28    H2*    A   3           H2*        A   3  -0.443  -9.147  -5.522
   29   2HO*    A   3          2HO*        A   3  -1.558  -8.906  -7.350
   30    H1*    A   3           H1*        A   3  -0.617 -11.479  -6.945
   31    H8     A   3           H8         A   3   2.223 -11.390  -4.397
   32   1H6     A   3          1H6         A   3  -1.796 -13.571  -0.321
   33   2H6     A   3          2H6         A   3  -0.237 -12.794  -0.463
   34    H2     A   3           H2         A   3  -4.085 -12.396  -4.031
   35   1H5*    G   4          1H5*        G   4  -0.745  -7.394  -7.877
   36   2H5*    G   4          2H5*        G   4  -0.913  -5.629  -7.954
   37    H4*    G   4           H4*        G   4  -3.133  -6.481  -7.935
   38    H3*    G   4           H3*        G   4  -2.274  -5.508  -5.171
   39    H2*    G   4           H2*        G   4  -4.523  -5.928  -4.456
   40   2HO*    G   4          2HO*        G   4  -5.057  -6.568  -7.203
   41    H1*    G   4           H1*        G   4  -4.582  -8.445  -5.371
   42    H8     G   4           H8         G   4  -1.035  -7.251  -4.597
   43    H1     G   4           H1         G   4  -4.155  -9.381   0.502
   44   1H2     G   4          1H2         G   4  -6.240  -9.958  -0.062
   45   2H2     G   4          2H2         G   4  -6.954  -9.361  -1.543
   46   1H5*    C   5          1H5*        C   5  -5.579  -4.222  -5.465
   47   2H5*    C   5          2H5*        C   5  -5.963  -2.496  -5.297
   48    H4*    C   5           H4*        C   5  -7.243  -3.592  -3.615
   49    H3*    C   5           H3*        C   5  -4.732  -2.226  -2.642
   50    H2*    C   5           H2*        C   5  -4.956  -3.089  -0.490
   51   2HO*    C   5          2HO*        C   5  -6.975  -3.676   0.374
   52    H1*    C   5           H1*        C   5  -6.291  -5.486  -1.067
   53   1H4     C   5          1H4         C   5  -0.341  -6.669   0.917
   54   2H4     C   5          2H4         C   5   0.209  -6.597  -0.743
   55    H5     C   5           H5         C   5  -1.079  -5.385  -2.424
   56    H6     C   5           H6         C   5  -3.338  -4.685  -3.068
   57   1H5*    G   6          1H5*        G   6  -8.262  -1.493   0.031
   58   2H5*    G   6          2H5*        G   6  -8.519   0.261  -0.043
   59    H4*    G   6           H4*        G   6  -8.865  -0.255   2.229
   60    H3*    G   6           H3*        G   6  -6.098   0.806   1.656
   61    H2*    G   6           H2*        G   6  -5.387   0.424   3.868
   62   2HO*    G   6          2HO*        G   6  -8.175   0.280   4.467
   63    H1*    G   6           H1*        G   6  -6.685  -1.945   4.362
   64    H8     G   6           H8         G   6  -5.017  -1.410   0.931
   65    H1     G   6           H1         G   6  -1.240  -4.106   5.303
   66   1H2     G   6          1H2         G   6  -2.265  -4.153   7.265
   67   2H2     G   6          2H2         G   6  -3.875  -3.513   7.502
   68   1H5*    G   7          1H5*        G   7  -7.208   2.342   5.265
   69   2H5*    G   7          2H5*        G   7  -7.207   4.117   5.301
   70    H4*    G   7           H4*        G   7  -5.910   3.557   7.178
   71    H3*    G   7           H3*        G   7  -4.189   4.116   4.753
   72    H2*    G   7           H2*        G   7  -2.279   3.383   5.841
   73   2HO*    G   7          2HO*        G   7  -2.666   3.480   8.419
   74    H1*    G   7           H1*        G   7  -3.569   1.849   7.924
   75    H8     G   7           H8         G   7  -2.971   1.457   4.104
   76    H1     G   7           H1         G   7   0.127  -2.746   7.765
   77   1H2     G   7          1H2         G   7  -0.393  -2.421   9.898
   78   2H2     G   7          2H2         G   7  -1.320  -1.036  10.430
   79   1H5*    G   8          1H5*        G   8  -2.939   5.967   8.578
   80   2H5*    G   8          2H5*        G   8  -2.823   7.721   8.333
   81    H4*    G   8           H4*        G   8  -1.011   6.968   9.787
   82    H3*    G   8           H3*        G   8  -0.399   8.032   7.041
   83    H2*    G   8           H2*        G   8   1.888   7.461   7.170
   84   2HO*    G   8          2HO*        G   8   2.020   6.497   9.730
   85    H1*    G   8           H1*        G   8   1.694   5.022   8.307
   86    H8     G   8           H8         G   8  -1.308   5.315   6.104
   87    H1     G   8           H1         G   8   4.021   4.288   2.752
   88   1H2     G   8          1H2         G   8   5.780   4.245   4.195
   89   2H2     G   8          2H2         G   8   5.684   5.264   5.613
   90   1H5*    G   9          1H5*        G   9   2.579   9.540   9.667
   91   2H5*    G   9          2H5*        G   9   2.633  11.314   9.635
   92    H4*    G   9           H4*        G   9   4.892  10.479   9.360
   93    H3*    G   9           H3*        G   9   3.536  11.752   6.986
   94    H2*    G   9           H2*        G   9   5.346  11.217   5.544
   95   2HO*    G   9          2HO*        G   9   6.835  10.361   7.823
   96    H1*    G   9           H1*        G   9   5.782   8.701   6.314
   97    H8     G   9           H8         G   9   2.094   9.666   6.596
   98    H1     G   9           H1         G   9   3.777   7.530   0.826
   99   1H2     G   9          1H2         G   9   6.002   7.004   0.884
  100   2H2     G   9          2H2         G   9   7.015   8.021   1.883
  101   1H5*    G  10          1H5*        G  10   7.323  12.403   6.611
  102   2H5*    G  10          2H5*        G  10   7.843  14.096   6.511
  103    H4*    G  10           H4*        G  10   8.826  13.062   4.619
  104    H3*    G  10           H3*        G  10   6.249  14.515   3.925
  105    H2*    G  10           H2*        G  10   6.541  13.897   1.659
  106   2HO*    G  10          2HO*        G  10   9.166  13.990   2.366
  107    H1*    G  10           H1*        G  10   7.510  11.343   2.088
  108    H8     G  10           H8         G  10   4.525  12.550   4.180
  109    H1     G  10           H1         G  10   2.872   9.728  -1.284
  110   1H2     G  10          1H2         G  10   4.694   9.253  -2.471
  111   2H2     G  10          2H2         G  10   6.266   9.890  -2.044
  112   1H5*    U  11          1H5*        U  11   8.661  15.086   1.033
  113   2H5*    U  11          2H5*        U  11   9.042  16.768   0.622
  114    H4*    U  11           H4*        U  11   8.354  15.815  -1.429
  115    H3*    U  11           H3*        U  11   6.197  17.408  -0.037
  116    H2*    U  11           H2*        U  11   4.563  16.677  -1.504
  117   2HO*    U  11          2HO*        U  11   4.892  16.769  -3.619
  118    H1*    U  11           H1*        U  11   5.926  14.355  -2.545
  119    H3     U  11           H3         U  11   1.857  12.582  -1.924
  120    H5     U  11           H5         U  11   2.810  14.135   1.878
  121    H6     U  11           H6         U  11   4.853  15.041   0.921
  122   1H5*    G  12          1H5*        G  12   4.966  21.301  -2.183
  123   2H5*    G  12          2H5*        G  12   3.810  20.762  -0.949
  124    H4*    G  12           H4*        G  12   3.777  20.382  -3.903
  125    H3*    G  12           H3*        G  12   1.802  20.867  -1.671
  126    H2*    G  12           H2*        G  12   0.113  19.598  -2.725
  127   2HO*    G  12          2HO*        G  12   1.459  18.979  -5.062
  128    H1*    G  12           H1*        G  12   1.579  17.492  -3.544
  129    H8     G  12           H8         G  12   3.060  18.747  -0.308
  130    H1     G  12           H1         G  12  -2.219  15.289   0.597
  131   1H2     G  12          1H2         G  12  -3.349  15.166  -1.364
  132   2H2     G  12          2H2         G  12  -2.425  15.206  -2.849
  133   1H5*    U  13          1H5*        U  13  -0.435  24.180  -4.120
  134   2H5*    U  13          2H5*        U  13  -0.942  24.984  -2.621
  135    H4*    U  13           H4*        U  13  -2.776  23.668  -2.388
  136    H3*    U  13           H3*        U  13  -0.858  21.564  -2.547
  137    H2*    U  13           H2*        U  13  -1.403  20.413  -4.465
  138   2HO*    U  13          2HO*        U  13  -3.967  20.402  -4.774
  139    H1*    U  13           H1*        U  13  -3.319  21.928  -5.783
  140    H3     U  13           H3         U  13  -0.531  22.940  -9.145
  141    H5     U  13           H5         U  13   2.082  22.231  -5.915
  142    H6     U  13           H6         U  13   0.140  21.980  -4.484
  143   1H5*    A  14          1H5*        A  14  -5.355  19.324  -1.149
  144   2H5*    A  14          2H5*        A  14  -4.863  17.623  -1.273
  145    H4*    A  14           H4*        A  14  -6.825  18.722  -2.791
  146    H3*    A  14           H3*        A  14  -4.921  16.423  -3.224
  147    H2*    A  14           H2*        A  14  -5.433  16.257  -5.498
  148   2HO*    A  14          2HO*        A  14  -7.770  16.250  -4.931
  149    H1*    A  14           H1*        A  14  -6.024  18.925  -6.065
  150    H8     A  14           H8         A  14  -2.717  18.469  -4.269
  151   1H6     A  14          1H6         A  14  -0.130  16.873  -9.281
  152   2H6     A  14          2H6         A  14   0.077  18.492  -8.649
  153    H2     A  14           H2         A  14  -4.653  17.602 -10.309
  154   1H5*    A  15          1H5*        A  15  -8.807  13.233  -4.605
  155   2H5*    A  15          2H5*        A  15  -7.512  12.206  -3.956
  156    H4*    A  15           H4*        A  15  -8.284  12.232  -6.580
  157    H3*    A  15           H3*        A  15  -5.835  11.377  -5.095
  158    H2*    A  15           H2*        A  15  -4.385  11.470  -6.940
  159   2HO*    A  15          2HO*        A  15  -5.256  11.598  -9.115
  160    H1*    A  15           H1*        A  15  -5.277  13.681  -8.206
  161    H8     A  15           H8         A  15  -5.370  13.664  -4.344
  162   1H6     A  15          1H6         A  15   0.079  16.485  -4.609
  163   2H6     A  15          2H6         A  15  -1.052  15.684  -3.542
  164    H2     A  15           H2         A  15  -1.081  15.302  -8.797
  165   1H5*    A  16          1H5*        A  16  -5.476   9.401  -8.486
  166   2H5*    A  16          2H5*        A  16  -5.121   7.670  -8.314
  167    H4*    A  16           H4*        A  16  -3.301   8.761  -9.525
  168    H3*    A  16           H3*        A  16  -2.774   7.742  -6.724
  169    H2*    A  16           H2*        A  16  -0.552   8.550  -6.787
  170   2HO*    A  16          2HO*        A  16   0.529   8.940  -8.653
  171    H1*    A  16           H1*        A  16  -1.022  10.952  -7.982
  172    H8     A  16           H8         A  16  -3.758   9.893  -5.537
  173   1H6     A  16          1H6         A  16  -0.329  12.417  -1.091
  174   2H6     A  16          2H6         A  16  -1.877  11.700  -1.477
  175    H2     A  16           H2         A  16   2.050  12.503  -4.905
  176   1H5*    C  17          1H5*        C  17   0.354   7.204  -8.995
  177   2H5*    C  17          2H5*        C  17   0.994   5.559  -9.185
  178    H4*    C  17           H4*        C  17   2.895   6.854  -8.645
  179    H3*    C  17           H3*        C  17   1.750   5.493  -6.177
  180    H2*    C  17           H2*        C  17   3.479   6.442  -4.890
  181   2HO*    C  17          2HO*        C  17   5.161   7.639  -6.458
  182    H1*    C  17           H1*        C  17   3.658   8.878  -6.237
  183   1H4     C  17          1H4         C  17   0.532  10.191  -0.878
  184   2H4     C  17          2H4         C  17  -0.715   9.023  -1.251
  185    H5     C  17           H5         C  17  -0.794   7.823  -3.337
  186    H6     C  17           H6         C  17   0.456   7.237  -5.357
  187   1H5*    C  18          1H5*        C  18   5.992   5.046  -6.921
  188   2H5*    C  18          2H5*        C  18   6.514   3.352  -6.825
  189    H4*    C  18           H4*        C  18   8.197   4.620  -5.708
  190    H3*    C  18           H3*        C  18   6.273   3.201  -3.831
  191    H2*    C  18           H2*        C  18   7.463   4.079  -1.968
  192   2HO*    C  18          2HO*        C  18   9.581   3.719  -2.760
  193    H1*    C  18           H1*        C  18   7.762   6.618  -2.883
  194   1H4     C  18          1H4         C  18   2.318   6.552   0.426
  195   2H4     C  18          2H4         C  18   1.449   6.061  -1.010
  196    H5     C  18           H5         C  18   2.611   4.979  -2.858
  197    H6     C  18           H6         C  18   4.765   4.791  -4.011
  198   1H5*    U  19          1H5*        U  19  10.107   1.717  -2.591
  199   2H5*    U  19          2H5*        U  19   9.929   0.191  -1.701
  200    H4*    U  19           H4*        U  19  10.489   2.269  -0.309
  201    H3*    U  19           H3*        U  19   8.266   0.303   0.208
  202    H2*    U  19           H2*        U  19   7.351   1.594   1.952
  203   2HO*    U  19          2HO*        U  19   8.837   2.297   3.294
  204    H1*    U  19           H1*        U  19   7.745   4.104   0.936
  205    H3     U  19           H3         U  19   3.274   3.192   1.076
  206    H5     U  19           H5         U  19   4.645   1.490  -2.531
  207    H6     U  19           H6         U  19   6.914   1.949  -1.808
  208   1H5*    A  20          1H5*        A  20   9.351  -3.167   3.083
  209   2H5*    A  20          2H5*        A  20   7.647  -2.706   3.276
  210    H4*    A  20           H4*        A  20  10.092  -1.653   4.665
  211    H3*    A  20           H3*        A  20   7.336  -2.612   5.404
  212    H2*    A  20           H2*        A  20   7.052  -0.985   7.075
  213   2HO*    A  20          2HO*        A  20   9.855  -1.038   7.070
  214    H1*    A  20           H1*        A  20   8.223   1.161   5.877
  215    H8     A  20           H8         A  20   6.281  -0.860   3.328
  216   1H6     A  20          1H6         A  20   1.179   1.618   5.349
  217   2H6     A  20          2H6         A  20   1.969   1.626   3.788
  218    H2     A  20           H2         A  20   4.590   3.182   7.992
  219   1H5*    U  21          1H5*        U  21   8.477  -3.052   9.084
  220   2H5*    U  21          2H5*        U  21   8.567  -4.752   9.589
  221    H4*    U  21           H4*        U  21   6.934  -3.882  11.029
  222    H3*    U  21           H3*        U  21   5.700  -5.170   8.586
  223    H2*    U  21           H2*        U  21   3.548  -4.489   9.223
  224   2HO*    U  21          2HO*        U  21   4.120  -3.602  11.783
  225    H1*    U  21           H1*        U  21   4.202  -2.084  10.488
  226    H3     U  21           H3         U  21   1.791  -0.257   7.203
  227    H5     U  21           H5         U  21   4.584  -2.607   5.093
  228    H6     U  21           H6         U  21   5.453  -3.372   7.226
  229   1H5*    C  22          1H5*        C  22   3.773  -6.509  12.195
  230   2H5*    C  22          2H5*        C  22   3.546  -8.269  12.263
  231    H4*    C  22           H4*        C  22   1.424  -7.187  12.755
  232    H3*    C  22           H3*        C  22   1.676  -8.553  10.055
  233    H2*    C  22           H2*        C  22  -0.549  -7.984   9.539
  234   2HO*    C  22          2HO*        C  22  -1.867  -7.008  11.361
  235    H1*    C  22           H1*        C  22  -0.552  -5.415  10.731
  236   1H4     C  22          1H4         C  22   0.218  -4.674   4.433
  237   2H4     C  22          2H4         C  22   1.937  -4.936   4.609
  238    H5     C  22           H5         C  22   2.816  -6.126   6.546
  239    H6     C  22           H6         C  22   2.429  -6.626   8.912
  240   1H5*    G  23          1H5*        G  23  -1.942  -9.444  11.663
  241   2H5*    G  23          2H5*        G  23  -2.473 -11.119  11.421
  242    H4*    G  23           H4*        G  23  -4.083  -9.527  10.439
  243    H3*    G  23           H3*        G  23  -2.488 -11.296   8.547
  244    H2*    G  23           H2*        G  23  -3.671 -10.373   6.743
  245   2HO*    G  23          2HO*        G  23  -5.692  -9.348   7.019
  246    H1*    G  23           H1*        G  23  -4.030  -7.795   7.821
  247    H8     G  23           H8         G  23  -0.485  -9.208   7.736
  248    H1     G  23           H1         G  23  -2.262  -6.431   2.279
  249   1H2     G  23          1H2         G  23  -4.389  -5.752   2.452
  250   2H2     G  23          2H2         G  23  -5.448  -6.437   3.664
  251   1H5*    C  24          1H5*        C  24  -7.070 -11.548   8.326
  252   2H5*    C  24          2H5*        C  24  -7.485 -13.262   8.132
  253    H4*    C  24           H4*        C  24  -8.886 -12.025   6.623
  254    H3*    C  24           H3*        C  24  -6.575 -13.499   5.326
  255    H2*    C  24           H2*        C  24  -7.240 -12.702   3.205
  256   2HO*    C  24          2HO*        C  24  -9.484 -11.363   3.572
  257    H1*    C  24           H1*        C  24  -7.981 -10.156   3.942
  258   1H4     C  24          1H4         C  24  -2.064  -9.937   1.557
  259   2H4     C  24          2H4         C  24  -1.430 -10.091   3.180
  260    H5     C  24           H5         C  24  -2.782 -11.241   4.878
  261    H6     C  24           H6         C  24  -5.080 -11.605   5.655
  262   1H5*    U  25          1H5*        U  25 -10.116 -13.879   3.019
  263   2H5*    U  25          2H5*        U  25 -10.523 -15.596   2.830
  264    H4*    U  25           H4*        U  25 -10.754 -14.611   0.663
  265    H3*    U  25           H3*        U  25  -8.239 -16.244   1.070
  266    H2*    U  25           H2*        U  25  -7.487 -15.729  -1.105
  267   2HO*    U  25          2HO*        U  25  -8.863 -15.007  -2.724
  268    H1*    U  25           H1*        U  25  -8.315 -13.108  -1.233
  269    H3     U  25           H3         U  25  -3.846 -12.621  -1.107
  270    H5     U  25           H5         U  25  -4.758 -14.231   2.682
  271    H6     U  25           H6         U  25  -7.058 -14.458   1.955
  272   1H5*    C  26          1H5*        C  26 -10.105 -17.057  -2.591
  273   2H5*    C  26          2H5*        C  26 -10.254 -18.776  -3.011
  274    H4*    C  26           H4*        C  26  -9.233 -17.559  -4.868
  275    H3*    C  26           H3*        C  26  -7.518 -19.505  -3.308
  276    H2*    C  26           H2*        C  26  -5.638 -18.982  -4.624
  277   2HO*    C  26          2HO*        C  26  -7.141 -17.469  -6.483
  278    H1*    C  26           H1*        C  26  -6.102 -16.277  -4.976
  279   1H4     C  26          1H4         C  26  -1.717 -16.756  -0.395
  280   2H4     C  26          2H4         C  26  -2.921 -17.309   0.748
  281    H5     C  26           H5         C  26  -5.209 -17.760   0.140
  282    H6     C  26           H6         C  26  -6.845 -17.740  -1.685
  283   1H5*    C  27          1H5*        C  27  -6.978 -19.451  -7.322
  284   2H5*    C  27          2H5*        C  27  -7.568 -20.904  -8.154
  285    H4*    C  27           H4*        C  27  -5.668 -20.336  -9.382
  286    H3*    C  27           H3*        C  27  -5.039 -22.397  -7.285
  287    H2*    C  27           H2*        C  27  -2.752 -22.385  -7.838
  288   2HO*    C  27          2HO*        C  27  -3.356 -20.722 -10.084
  289    H1*    C  27           H1*        C  27  -2.425 -19.704  -8.032
  290   1H4     C  27          1H4         C  27  -1.406 -21.051  -1.889
  291   2H4     C  27          2H4         C  27  -3.120 -21.286  -1.630
  292    H5     C  27           H5         C  27  -4.750 -21.194  -3.415
  293    H6     C  27           H6         C  27  -5.088 -20.823  -5.783
  294    H3T    C  27           H3T        C  27  -5.523 -22.221 -10.048
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   8.900 -16.045   1.639
    2   2H5*    G   1          2H5*        G   1   9.952 -17.266   0.891
    3    H4*    G   1           H4*        G   1   9.508 -16.186  -1.340
    4    H3*    G   1           H3*        G   1   8.127 -14.234   0.392
    5    H2*    G   1           H2*        G   1   5.978 -14.839  -0.192
    6   2HO*    G   1          2HO*        G   1   6.017 -14.945  -2.835
    7    H1*    G   1           H1*        G   1   6.773 -16.730  -2.361
    8    H8     G   1           H8         G   1   5.733 -17.313   1.306
    9    H1     G   1           H1         G   1   1.233 -18.790  -2.965
   10   1H2     G   1          1H2         G   1   1.885 -18.171  -4.996
   11   2H2     G   1          2H2         G   1   3.493 -17.562  -5.317
   12    H5T    G   1           H5T        G   1  10.475 -14.591   0.316
   13   1H5*    G   2          1H5*        G   2   8.169 -13.459  -4.278
   14   2H5*    G   2          2H5*        G   2   8.286 -11.708  -4.540
   15    H4*    G   2           H4*        G   2   6.681 -12.505  -6.120
   16    H3*    G   2           H3*        G   2   5.409 -11.209  -3.677
   17    H2*    G   2           H2*        G   2   3.290 -11.527  -4.689
   18   2HO*    G   2          2HO*        G   2   4.826 -11.803  -7.057
   19    H1*    G   2           H1*        G   2   3.781 -14.033  -5.741
   20    H8     G   2           H8         G   2   4.987 -13.298  -2.172
   21    H1     G   2           H1         G   2  -1.022 -15.405  -2.498
   22   1H2     G   2          1H2         G   2  -1.545 -15.801  -4.656
   23   2H2     G   2          2H2         G   2  -0.707 -14.917  -5.911
   24   1H5*    A   3          1H5*        A   3   4.010  -9.534  -7.526
   25   2H5*    A   3          2H5*        A   3   3.742  -7.785  -7.383
   26    H4*    A   3           H4*        A   3   1.768  -8.895  -8.348
   27    H3*    A   3           H3*        A   3   1.472  -7.779  -5.525
   28    H2*    A   3           H2*        A   3  -0.844  -8.305  -5.687
   29   2HO*    A   3          2HO*        A   3  -0.515  -9.008  -8.427
   30    H1*    A   3           H1*        A   3  -0.512 -10.745  -6.930
   31    H8     A   3           H8         A   3   1.923  -9.960  -4.084
   32   1H6     A   3          1H6         A   3  -2.243 -12.417  -0.309
   33   2H6     A   3          2H6         A   3  -0.788 -11.447  -0.352
   34    H2     A   3           H2         A   3  -4.128 -12.012  -4.385
   35   1H5*    G   4          1H5*        G   4  -1.489  -6.703  -8.168
   36   2H5*    G   4          2H5*        G   4  -1.749  -4.954  -8.315
   37    H4*    G   4           H4*        G   4  -3.925  -5.874  -8.236
   38    H3*    G   4           H3*        G   4  -3.080  -4.861  -5.479
   39    H2*    G   4           H2*        G   4  -5.303  -5.379  -4.745
   40   2HO*    G   4          2HO*        G   4  -6.387  -6.603  -6.849
   41    H1*    G   4           H1*        G   4  -5.255  -7.898  -5.652
   42    H8     G   4           H8         G   4  -1.762  -6.518  -4.918
   43    H1     G   4           H1         G   4  -4.705  -8.864   0.188
   44   1H2     G   4          1H2         G   4  -6.798  -9.404  -0.302
   45   2H2     G   4          2H2         G   4  -7.498  -9.076  -1.872
   46   1H5*    C   5          1H5*        C   5  -6.394  -3.537  -5.654
   47   2H5*    C   5          2H5*        C   5  -6.727  -1.795  -5.552
   48    H4*    C   5           H4*        C   5  -7.946  -2.733  -3.750
   49    H3*    C   5           H3*        C   5  -5.297  -1.520  -2.944
   50    H2*    C   5           H2*        C   5  -5.510  -2.278  -0.747
   51   2HO*    C   5          2HO*        C   5  -8.286  -2.222  -1.334
   52    H1*    C   5           H1*        C   5  -6.994  -4.610  -1.201
   53   1H4     C   5          1H4         C   5  -1.117  -6.291   0.534
   54   2H4     C   5          2H4         C   5  -0.504  -5.911  -1.062
   55    H5     C   5           H5         C   5  -1.826  -4.771  -2.737
   56    H6     C   5           H6         C   5  -4.060  -3.938  -3.303
   57   1H5*    G   6          1H5*        G   6  -8.515  -0.451  -0.099
   58   2H5*    G   6          2H5*        G   6  -8.634   1.320  -0.133
   59    H4*    G   6           H4*        G   6  -8.779   0.795   2.162
   60    H3*    G   6           H3*        G   6  -5.975   1.590   1.334
   61    H2*    G   6           H2*        G   6  -5.177   1.195   3.517
   62   2HO*    G   6          2HO*        G   6  -7.923   1.404   4.252
   63    H1*    G   6           H1*        G   6  -6.738  -1.009   4.139
   64    H8     G   6           H8         G   6  -4.955  -0.684   0.731
   65    H1     G   6           H1         G   6  -1.632  -3.841   5.164
   66   1H2     G   6          1H2         G   6  -2.674  -3.721   7.121
   67   2H2     G   6          2H2         G   6  -4.280  -3.044   7.281
   68   1H5*    G   7          1H5*        G   7  -6.926   3.200   5.027
   69   2H5*    G   7          2H5*        G   7  -6.742   4.965   5.082
   70    H4*    G   7           H4*        G   7  -5.576   4.256   6.995
   71    H3*    G   7           H3*        G   7  -3.733   4.670   4.634
   72    H2*    G   7           H2*        G   7  -1.937   3.728   5.756
   73   2HO*    G   7          2HO*        G   7  -2.052   3.803   8.220
   74    H1*    G   7           H1*        G   7  -3.416   2.273   7.760
   75    H8     G   7           H8         G   7  -2.791   1.965   3.937
   76    H1     G   7           H1         G   7  -0.234  -2.679   7.481
   77   1H2     G   7          2H2         G   7  -1.427  -2.455   9.657
   78   2H2     G   7          1H2         G   7  -0.910  -0.856  10.142
   79   1H5*    G   8          1H5*        G   8  -2.327   6.185   8.506
   80   2H5*    G   8          2H5*        G   8  -2.173   7.947   8.358
   81    H4*    G   8           H4*        G   8  -0.382   7.167   9.775
   82    H3*    G   8           H3*        G   8   0.298   8.141   7.017
   83    H2*    G   8           H2*        G   8   2.545   7.424   7.139
   84   2HO*    G   8          2HO*        G   8   2.307   6.740   9.881
   85    H1*    G   8           H1*        G   8   2.214   5.026   8.327
   86    H8     G   8           H8         G   8  -0.779   5.539   6.116
   87    H1     G   8           H1         G   8   4.428   3.909   2.810
   88   1H2     G   8          1H2         G   8   6.200   3.901   4.160
   89   2H2     G   8          2H2         G   8   6.139   4.590   5.767
   90   1H5*    G   9          1H5*        G   9   3.344   9.749   9.600
   91   2H5*    G   9          2H5*        G   9   3.411  11.516   9.453
   92    H4*    G   9           H4*        G   9   5.655  10.653   9.191
   93    H3*    G   9           H3*        G   9   4.270  11.765   6.754
   94    H2*    G   9           H2*        G   9   6.050  11.116   5.324
   95   2HO*    G   9          2HO*        G   9   7.684  10.151   7.388
   96    H1*    G   9           H1*        G   9   6.498   8.661   6.274
   97    H8     G   9           H8         G   9   2.818   9.680   6.507
   98    H1     G   9           H1         G   9   4.431   7.032   0.935
   99   1H2     G   9          1H2         G   9   6.642   6.520   0.990
  100   2H2     G   9          2H2         G   9   7.693   7.520   1.966
  101   1H5*    G  10          1H5*        G  10   7.960  12.445   6.198
  102   2H5*    G  10          2H5*        G  10   8.478  14.124   5.954
  103    H4*    G  10           H4*        G  10   9.317  12.979   4.062
  104    H3*    G  10           H3*        G  10   6.693  14.391   3.490
  105    H2*    G  10           H2*        G  10   6.765  13.621   1.261
  106   2HO*    G  10          2HO*        G  10   9.458  13.758   1.709
  107    H1*    G  10           H1*        G  10   7.846  11.111   1.750
  108    H8     G  10           H8         G  10   4.995  12.350   3.995
  109    H1     G  10           H1         G  10   3.008   9.245  -1.200
  110   1H2     G  10          1H2         G  10   4.712   8.950  -2.600
  111   2H2     G  10          2H2         G  10   6.369   9.193  -2.094
  112   1H5*    U  11          1H5*        U  11   9.110  15.121   0.345
  113   2H5*    U  11          2H5*        U  11   9.120  16.814  -0.182
  114    H4*    U  11           H4*        U  11   8.446  15.418  -2.055
  115    H3*    U  11           H3*        U  11   6.395  17.208  -0.756
  116    H2*    U  11           H2*        U  11   4.636  16.220  -1.873
  117   2HO*    U  11          2HO*        U  11   5.154  16.865  -3.908
  118    H1*    U  11           H1*        U  11   6.008  13.826  -2.785
  119    H3     U  11           H3         U  11   2.056  11.998  -1.722
  120    H5     U  11           H5         U  11   3.147  14.031   1.808
  121    H6     U  11           H6         U  11   5.101  14.880   0.636
  122   1H5*    G  12          1H5*        G  12   4.358  20.563  -2.575
  123   2H5*    G  12          2H5*        G  12   4.535  19.038  -1.683
  124    H4*    G  12           H4*        G  12   3.359  19.095  -4.473
  125    H3*    G  12           H3*        G  12   2.034  19.817  -1.843
  126    H2*    G  12           H2*        G  12   0.119  18.554  -2.439
  127   2HO*    G  12          2HO*        G  12   0.561  17.601  -4.852
  128    H1*    G  12           H1*        G  12   1.406  16.392  -3.511
  129    H8     G  12           H8         G  12   3.292  17.660  -0.486
  130    H1     G  12           H1         G  12  -1.825  14.187   1.066
  131   1H2     G  12          1H2         G  12  -3.134  13.943  -0.734
  132   2H2     G  12          2H2         G  12  -2.478  14.162  -2.341
  133   1H5*    U  13          1H5*        U  13  -0.625  23.100  -4.103
  134   2H5*    U  13          2H5*        U  13  -0.979  23.929  -2.576
  135    H4*    U  13           H4*        U  13  -2.801  22.645  -2.160
  136    H3*    U  13           H3*        U  13  -0.919  20.512  -2.432
  137    H2*    U  13           H2*        U  13  -1.675  19.296  -4.245
  138   2HO*    U  13          2HO*        U  13  -4.281  19.438  -4.304
  139    H1*    U  13           H1*        U  13  -3.614  20.830  -5.475
  140    H3     U  13           H3         U  13  -1.013  21.751  -9.013
  141    H5     U  13           H5         U  13   1.776  21.015  -5.941
  142    H6     U  13           H6         U  13  -0.079  20.829  -4.391
  143   1H5*    A  14          1H5*        A  14  -5.308  18.431  -0.607
  144   2H5*    A  14          2H5*        A  14  -4.838  16.719  -0.642
  145    H4*    A  14           H4*        A  14  -6.921  17.670  -2.052
  146    H3*    A  14           H3*        A  14  -4.988  15.414  -2.545
  147    H2*    A  14           H2*        A  14  -5.654  15.136  -4.773
  148   2HO*    A  14          2HO*        A  14  -7.683  15.682  -5.501
  149    H1*    A  14           H1*        A  14  -6.265  17.746  -5.448
  150    H8     A  14           H8         A  14  -2.952  17.288  -3.609
  151   1H6     A  14          1H6         A  14  -0.404  16.343  -9.123
  152   2H6     A  14          2H6         A  14  -0.083  16.824  -7.473
  153    H2     A  14           H2         A  14  -4.869  16.577  -9.670
  154   1H5*    A  15          1H5*        A  15  -8.850  12.209  -3.606
  155   2H5*    A  15          2H5*        A  15  -7.542  11.124  -3.088
  156    H4*    A  15           H4*        A  15  -8.500  11.225  -5.632
  157    H3*    A  15           H3*        A  15  -5.924  10.357  -4.377
  158    H2*    A  15           H2*        A  15  -4.674  10.438  -6.373
  159   2HO*    A  15          2HO*        A  15  -5.597  10.288  -8.378
  160    H1*    A  15           H1*        A  15  -5.644  12.698  -7.484
  161    H8     A  15           H8         A  15  -5.409  12.634  -3.631
  162   1H6     A  15          1H6         A  15   0.183  15.107  -4.336
  163   2H6     A  15          2H6         A  15  -1.032  14.616  -3.179
  164    H2     A  15           H2         A  15  -1.442  14.147  -8.415
  165   1H5*    A  16          1H5*        A  16  -5.721   8.463  -7.670
  166   2H5*    A  16          2H5*        A  16  -5.406   6.720  -7.558
  167    H4*    A  16           H4*        A  16  -3.586   7.748  -8.784
  168    H3*    A  16           H3*        A  16  -2.988   6.808  -5.965
  169    H2*    A  16           H2*        A  16  -0.753   7.567  -6.156
  170   2HO*    A  16          2HO*        A  16   0.040   8.281  -8.269
  171    H1*    A  16           H1*        A  16  -1.242   9.927  -7.449
  172    H8     A  16           H8         A  16  -3.851   9.118  -4.792
  173   1H6     A  16          1H6         A  16  -0.064  11.740  -0.706
  174   2H6     A  16          2H6         A  16  -1.676  11.115  -0.968
  175    H2     A  16           H2         A  16   2.098  11.471  -4.636
  176   1H5*    C  17          1H5*        C  17   0.048   5.910  -8.601
  177   2H5*    C  17          2H5*        C  17   0.768   4.296  -8.438
  178    H4*    C  17           H4*        C  17   2.529   5.972  -8.291
  179    H3*    C  17           H3*        C  17   1.791   4.544  -5.711
  180    H2*    C  17           H2*        C  17   3.457   5.754  -4.584
  181   2HO*    C  17          2HO*        C  17   5.130   6.868  -5.820
  182    H1*    C  17           H1*        C  17   3.286   8.128  -6.076
  183   1H4     C  17          1H4         C  17   0.857   8.831  -0.176
  184   2H4     C  17          2H4         C  17  -0.713   8.931  -0.938
  185    H5     C  17           H5         C  17  -0.729   6.927  -2.651
  186    H6     C  17           H6         C  17   0.354   6.302  -4.753
  187   1H5*    C  18          1H5*        C  18   5.906   4.822  -6.662
  188   2H5*    C  18          2H5*        C  18   6.636   3.217  -6.862
  189    H4*    C  18           H4*        C  18   8.334   4.424  -5.796
  190    H3*    C  18           H3*        C  18   6.680   2.858  -3.790
  191    H2*    C  18           H2*        C  18   7.942   3.775  -1.999
  192   2HO*    C  18          2HO*        C  18   9.832   5.155  -2.580
  193    H1*    C  18           H1*        C  18   8.022   6.349  -2.850
  194   1H4     C  18          1H4         C  18   2.728   6.105   0.638
  195   2H4     C  18          2H4         C  18   1.893   5.218  -0.617
  196    H5     C  18           H5         C  18   2.987   4.406  -2.607
  197    H6     C  18           H6         C  18   5.087   4.365  -3.867
  198   1H5*    U  19          1H5*        U  19  10.344   2.092  -2.652
  199   2H5*    U  19          2H5*        U  19  10.749   0.440  -2.143
  200    H4*    U  19           H4*        U  19  10.861   1.875  -0.198
  201    H3*    U  19           H3*        U  19   8.544  -0.056  -0.384
  202    H2*    U  19           H2*        U  19   7.566   0.787   1.588
  203   2HO*    U  19          2HO*        U  19   9.241   2.528   2.619
  204    H1*    U  19           H1*        U  19   8.155   3.454   1.274
  205    H3     U  19           H3         U  19   3.675   3.318   0.901
  206    H5     U  19           H5         U  19   5.015   1.476  -2.647
  207    H6     U  19           H6         U  19   7.278   1.603  -1.779
  208   1H5*    A  20          1H5*        A  20   9.018  -3.966   2.187
  209   2H5*    A  20          2H5*        A  20   7.371  -3.347   2.424
  210    H4*    A  20           H4*        A  20   9.866  -2.819   4.016
  211    H3*    A  20           H3*        A  20   7.016  -3.647   4.530
  212    H2*    A  20           H2*        A  20   6.812  -2.321   6.458
  213   2HO*    A  20          2HO*        A  20   8.453  -2.359   7.786
  214    H1*    A  20           H1*        A  20   8.252  -0.124   5.713
  215    H8     A  20           H8         A  20   6.113  -1.507   2.882
  216   1H6     A  20          1H6         A  20   2.036   2.189   4.148
  217   2H6     A  20          2H6         A  20   1.503   0.632   4.740
  218    H2     A  20           H2         A  20   4.923   2.109   8.027
  219   1H5*    U  21          1H5*        U  21   8.283  -4.553   8.129
  220   2H5*    U  21          2H5*        U  21   8.140  -6.272   8.552
  221    H4*    U  21           H4*        U  21   6.772  -5.238  10.150
  222    H3*    U  21           H3*        U  21   5.165  -6.188   7.765
  223    H2*    U  21           H2*        U  21   3.198  -5.252   8.657
  224   2HO*    U  21          2HO*        U  21   3.199  -4.561  10.943
  225    H1*    U  21           H1*        U  21   4.304  -3.005   9.868
  226    H3     U  21           H3         U  21   1.870  -0.881   6.776
  227    H5     U  21           H5         U  21   4.350  -3.378   4.453
  228    H6     U  21           H6         U  21   5.233  -4.305   6.516
  229   1H5*    C  22          1H5*        C  22   3.383  -7.171  11.375
  230   2H5*    C  22          2H5*        C  22   2.940  -8.874  11.616
  231    H4*    C  22           H4*        C  22   1.017  -7.593  12.238
  232    H3*    C  22           H3*        C  22   0.861  -8.907   9.515
  233    H2*    C  22           H2*        C  22  -1.246  -7.970   9.101
  234   2HO*    C  22          2HO*        C  22  -2.631  -7.353  10.724
  235    H1*    C  22           H1*        C  22  -0.850  -5.484  10.409
  236   1H4     C  22          1H4         C  22  -0.310  -4.472   4.131
  237   2H4     C  22          2H4         C  22   1.348  -5.028   4.176
  238    H5     C  22           H5         C  22   2.155  -6.421   5.999
  239    H6     C  22           H6         C  22   1.826  -6.998   8.358
  240   1H5*    G  23          1H5*        G  23  -2.725  -9.228  11.237
  241   2H5*    G  23          2H5*        G  23  -3.511 -10.815  11.102
  242    H4*    G  23           H4*        G  23  -4.947  -9.109  10.103
  243    H3*    G  23           H3*        G  23  -3.575 -11.028   8.181
  244    H2*    G  23           H2*        G  23  -4.678  -9.981   6.395
  245   2HO*    G  23          2HO*        G  23  -6.768  -9.870   6.843
  246    H1*    G  23           H1*        G  23  -4.789  -7.386   7.504
  247    H8     G  23           H8         G  23  -1.406  -9.159   7.276
  248    H1     G  23           H1         G  23  -3.039  -6.033   1.965
  249   1H2     G  23          1H2         G  23  -5.072  -5.131   2.234
  250   2H2     G  23          2H2         G  23  -6.157  -5.726   3.468
  251   1H5*    C  24          1H5*        C  24  -8.089 -10.744   7.712
  252   2H5*    C  24          2H5*        C  24  -8.646 -12.426   7.801
  253    H4*    C  24           H4*        C  24  -9.937 -11.552   6.051
  254    H3*    C  24           H3*        C  24  -7.451 -12.919   4.984
  255    H2*    C  24           H2*        C  24  -8.046 -12.323   2.776
  256   2HO*    C  24          2HO*        C  24 -10.615 -12.165   3.904
  257    H1*    C  24           H1*        C  24  -9.006  -9.797   3.280
  258   1H4     C  24          1H4         C  24  -3.004  -9.112   1.287
  259   2H4     C  24          2H4         C  24  -2.402  -9.580   2.861
  260    H5     C  24           H5         C  24  -3.806 -10.657   4.507
  261    H6     C  24           H6         C  24  -6.122 -11.090   5.186
  262   1H5*    U  25          1H5*        U  25 -10.595 -13.680   2.369
  263   2H5*    U  25          2H5*        U  25 -10.908 -15.428   2.326
  264    H4*    U  25           H4*        U  25 -10.879 -14.798   0.050
  265    H3*    U  25           H3*        U  25  -8.226 -15.949   0.962
  266    H2*    U  25           H2*        U  25  -7.317 -15.610  -1.194
  267   2HO*    U  25          2HO*        U  25  -8.955 -14.837  -2.890
  268    H1*    U  25           H1*        U  25  -8.485 -13.179  -1.743
  269    H3     U  25           H3         U  25  -4.219 -11.875  -1.252
  270    H5     U  25           H5         U  25  -5.223 -13.352   2.570
  271    H6     U  25           H6         U  25  -7.360 -14.048   1.665
  272   1H5*    C  26          1H5*        C  26  -9.451 -17.261  -2.720
  273   2H5*    C  26          2H5*        C  26  -9.442 -19.015  -2.992
  274    H4*    C  26           H4*        C  26  -8.344 -17.997  -4.877
  275    H3*    C  26           H3*        C  26  -6.499 -19.340  -2.875
  276    H2*    C  26           H2*        C  26  -4.635 -18.777  -4.215
  277   2HO*    C  26          2HO*        C  26  -6.457 -19.014  -6.202
  278    H1*    C  26           H1*        C  26  -5.467 -16.258  -4.983
  279   1H4     C  26          1H4         C  26  -1.450 -15.328  -0.147
  280   2H4     C  26          2H4         C  26  -2.628 -15.932   0.997
  281    H5     C  26           H5         C  26  -4.718 -16.932   0.331
  282    H6     C  26           H6         C  26  -6.187 -17.444  -1.563
  283   1H5*    C  27          1H5*        C  27  -6.176 -20.670  -7.153
  284   2H5*    C  27          2H5*        C  27  -5.675 -22.366  -7.300
  285    H4*    C  27           H4*        C  27  -4.316 -20.797  -8.688
  286    H3*    C  27           H3*        C  27  -3.074 -22.470  -6.514
  287    H2*    C  27           H2*        C  27  -0.931 -21.615  -7.022
  288   2HO*    C  27          2HO*        C  27  -0.657 -21.406  -9.139
  289    H1*    C  27           H1*        C  27  -1.639 -19.012  -7.170
  290   1H4     C  27          1H4         C  27  -0.444 -20.055  -1.002
  291   2H4     C  27          2H4         C  27  -1.979 -20.874  -0.819
  292    H5     C  27           H5         C  27  -3.486 -21.284  -2.669
  293    H6     C  27           H6         C  27  -3.832 -21.015  -5.054
  294    H3T    C  27           H3T        C  27  -3.340 -22.488  -9.339
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   9.867 -16.289   1.218
    2   2H5*    G   1          2H5*        G   1   9.054 -17.866   1.205
    3    H4*    G   1           H4*        G   1   9.427 -16.529  -1.442
    4    H3*    G   1           H3*        G   1   8.051 -15.189   0.799
    5    H2*    G   1           H2*        G   1   5.907 -15.777   0.201
    6   2HO*    G   1          2HO*        G   1   6.535 -14.881  -2.430
    7    H1*    G   1           H1*        G   1   6.615 -16.995  -2.425
    8    H8     G   1           H8         G   1   5.988 -18.610   1.011
    9    H1     G   1           H1         G   1   1.125 -19.151  -3.080
   10   1H2     G   1          1H2         G   1   1.542 -17.968  -4.911
   11   2H2     G   1          2H2         G   1   3.068 -17.156  -5.174
   12    H5T    G   1           H5T        G   1  11.567 -17.227   0.487
   13   1H5*    G   2          1H5*        G   2   8.054 -13.326  -3.626
   14   2H5*    G   2          2H5*        G   2   7.923 -11.562  -3.483
   15    H4*    G   2           H4*        G   2   6.595 -12.375  -5.386
   16    H3*    G   2           H3*        G   2   5.135 -11.237  -2.981
   17    H2*    G   2           H2*        G   2   3.069 -11.589  -4.066
   18   2HO*    G   2          2HO*        G   2   3.697 -10.686  -6.087
   19    H1*    G   2           H1*        G   2   3.676 -13.996  -5.291
   20    H8     G   2           H8         G   2   4.806 -13.752  -1.665
   21    H1     G   2           H1         G   2  -1.326 -15.372  -2.296
   22   1H2     G   2          1H2         G   2  -1.791 -15.516  -4.536
   23   2H2     G   2          2H2         G   2  -0.992 -14.344  -5.560
   24   1H5*    A   3          1H5*        A   3   4.272  -9.241  -7.035
   25   2H5*    A   3          2H5*        A   3   3.956  -7.514  -6.783
   26    H4*    A   3           H4*        A   3   2.244  -8.522  -8.244
   27    H3*    A   3           H3*        A   3   1.423  -7.548  -5.484
   28    H2*    A   3           H2*        A   3  -0.833  -8.141  -5.982
   29   2HO*    A   3          2HO*        A   3  -1.103  -9.101  -8.273
   30    H1*    A   3           H1*        A   3  -0.312 -10.582  -7.024
   31    H8     A   3           H8         A   3   2.117  -9.638  -4.236
   32   1H6     A   3          1H6         A   3  -2.149 -11.417  -0.236
   33   2H6     A   3          2H6         A   3  -0.419 -11.464  -0.483
   34    H2     A   3           H2         A   3  -3.926 -11.736  -4.380
   35   1H5*    G   4          1H5*        G   4  -1.412  -6.707  -8.228
   36   2H5*    G   4          2H5*        G   4  -1.647  -4.962  -8.447
   37    H4*    G   4           H4*        G   4  -3.837  -5.834  -8.405
   38    H3*    G   4           H3*        G   4  -3.055  -4.773  -5.650
   39    H2*    G   4           H2*        G   4  -5.284  -5.276  -4.937
   40   2HO*    G   4          2HO*        G   4  -6.123  -6.473  -7.292
   41    H1*    G   4           H1*        G   4  -5.239  -7.810  -5.789
   42    H8     G   4           H8         G   4  -1.747  -6.402  -5.049
   43    H1     G   4           H1         G   4  -4.696  -8.769   0.039
   44   1H2     G   4          1H2         G   4  -6.797  -9.276  -0.446
   45   2H2     G   4          2H2         G   4  -7.449  -9.090  -2.059
   46   1H5*    C   5          1H5*        C   5  -6.415  -3.313  -5.958
   47   2H5*    C   5          2H5*        C   5  -6.641  -1.555  -5.858
   48    H4*    C   5           H4*        C   5  -7.952  -2.463  -4.088
   49    H3*    C   5           H3*        C   5  -5.299  -1.285  -3.252
   50    H2*    C   5           H2*        C   5  -5.542  -2.020  -1.057
   51   2HO*    C   5          2HO*        C   5  -7.743  -2.605  -0.286
   52    H1*    C   5           H1*        C   5  -7.129  -4.297  -1.490
   53   1H4     C   5          1H4         C   5  -1.351  -6.101   0.491
   54   2H4     C   5          2H4         C   5  -0.708  -5.866  -1.120
   55    H5     C   5           H5         C   5  -1.934  -4.728  -2.863
   56    H6     C   5           H6         C   5  -4.123  -3.847  -3.529
   57   1H5*    G   6          1H5*        G   6  -8.438  -0.327  -0.381
   58   2H5*    G   6          2H5*        G   6  -8.623   1.438  -0.412
   59    H4*    G   6           H4*        G   6  -8.711   0.940   1.882
   60    H3*    G   6           H3*        G   6  -5.917   1.737   1.021
   61    H2*    G   6           H2*        G   6  -5.102   1.370   3.201
   62   2HO*    G   6          2HO*        G   6  -6.293   1.880   4.876
   63    H1*    G   6           H1*        G   6  -6.641  -0.841   3.851
   64    H8     G   6           H8         G   6  -4.908  -0.536   0.422
   65    H1     G   6           H1         G   6  -1.474  -3.589   4.845
   66   1H2     G   6          1H2         G   6  -2.510  -3.503   6.800
   67   2H2     G   6          2H2         G   6  -4.050  -2.706   7.017
   68   1H5*    G   7          1H5*        G   7  -6.892   3.581   4.606
   69   2H5*    G   7          2H5*        G   7  -6.507   5.312   4.680
   70    H4*    G   7           H4*        G   7  -5.449   4.308   6.580
   71    H3*    G   7           H3*        G   7  -3.590   4.952   4.278
   72    H2*    G   7           H2*        G   7  -1.805   3.918   5.346
   73   2HO*    G   7          2HO*        G   7  -3.141   4.420   7.825
   74    H1*    G   7           H1*        G   7  -3.316   2.223   7.111
   75    H8     G   7           H8         G   7  -2.941   2.214   3.250
   76    H1     G   7           H1         G   7   0.366  -2.311   6.287
   77   1H2     G   7          1H2         G   7  -0.357  -2.283   8.522
   78   2H2     G   7          2H2         G   7  -0.422  -0.651   9.148
   79   1H5*    G   8          1H5*        G   8  -2.226   6.216   8.369
   80   2H5*    G   8          2H5*        G   8  -2.012   7.975   8.266
   81    H4*    G   8           H4*        G   8  -0.257   7.103   9.672
   82    H3*    G   8           H3*        G   8   0.478   8.115   6.939
   83    H2*    G   8           H2*        G   8   2.695   7.322   7.060
   84   2HO*    G   8          2HO*        G   8   3.747   7.281   8.909
   85    H1*    G   8           H1*        G   8   2.283   4.913   8.206
   86    H8     G   8           H8         G   8  -0.646   5.664   5.951
   87    H1     G   8           H1         G   8   4.465   3.610   2.732
   88   1H2     G   8          1H2         G   8   6.170   3.315   4.187
   89   2H2     G   8          2H2         G   8   6.216   4.295   5.635
   90   1H5*    G   9          1H5*        G   9   3.540   9.662   9.651
   91   2H5*    G   9          2H5*        G   9   3.645  11.422   9.457
   92    H4*    G   9           H4*        G   9   5.878  10.476   9.279
   93    H3*    G   9           H3*        G   9   4.592  11.631   6.804
   94    H2*    G   9           H2*        G   9   6.423  10.959   5.443
   95   2HO*    G   9          2HO*        G   9   7.856  10.103   7.748
   96    H1*    G   9           H1*        G   9   6.752   8.480   6.386
   97    H8     G   9           H8         G   9   3.089   9.551   6.514
   98    H1     G   9           H1         G   9   4.851   7.056   0.917
   99   1H2     G   9          1H2         G   9   7.168   7.226   0.795
  100   2H2     G   9          2H2         G   9   7.967   6.783   2.285
  101   1H5*    G  10          1H5*        G  10   8.258  12.344   6.256
  102   2H5*    G  10          2H5*        G  10   8.735  14.049   6.148
  103    H4*    G  10           H4*        G  10   9.618  13.156   4.172
  104    H3*    G  10           H3*        G  10   6.855  14.314   3.669
  105    H2*    G  10           H2*        G  10   7.017  13.683   1.395
  106   2HO*    G  10          2HO*        G  10   9.808  13.412   1.934
  107    H1*    G  10           H1*        G  10   8.276  11.252   1.767
  108    H8     G  10           H8         G  10   5.386  12.207   4.112
  109    H1     G  10           H1         G  10   3.554   9.080  -1.122
  110   1H2     G  10          1H2         G  10   5.260   8.888  -2.529
  111   2H2     G  10          2H2         G  10   6.881   9.391  -2.109
  112   1H5*    U  11          1H5*        U  11   9.033  15.169   0.645
  113   2H5*    U  11          2H5*        U  11   9.103  16.858   0.111
  114    H4*    U  11           H4*        U  11   8.424  15.575  -1.794
  115    H3*    U  11           H3*        U  11   6.265  17.176  -0.421
  116    H2*    U  11           H2*        U  11   4.578  16.160  -1.636
  117   2HO*    U  11          2HO*        U  11   4.778  16.470  -3.710
  118    H1*    U  11           H1*        U  11   6.059  13.855  -2.575
  119    H3     U  11           H3         U  11   2.204  11.825  -1.521
  120    H5     U  11           H5         U  11   3.278  13.759   2.070
  121    H6     U  11           H6         U  11   5.166  14.743   0.896
  122   1H5*    G  12          1H5*        G  12   3.981  20.375  -2.801
  123   2H5*    G  12          2H5*        G  12   3.790  19.113  -1.567
  124    H4*    G  12           H4*        G  12   2.715  19.043  -4.415
  125    H3*    G  12           H3*        G  12   1.489  19.526  -1.683
  126    H2*    G  12           H2*        G  12  -0.447  18.305  -2.326
  127   2HO*    G  12          2HO*        G  12   0.588  18.180  -4.988
  128    H1*    G  12           H1*        G  12   0.823  16.228  -3.542
  129    H8     G  12           H8         G  12   2.800  17.457  -0.539
  130    H1     G  12           H1         G  12  -2.034  13.626   1.066
  131   1H2     G  12          1H2         G  12  -3.405  13.382  -0.688
  132   2H2     G  12          2H2         G  12  -2.827  13.692  -2.310
  133   1H5*    U  13          1H5*        U  13  -1.305  22.913  -3.838
  134   2H5*    U  13          2H5*        U  13  -1.833  23.571  -2.278
  135    H4*    U  13           H4*        U  13  -3.678  22.263  -2.222
  136    H3*    U  13           H3*        U  13  -1.755  20.167  -2.403
  137    H2*    U  13           H2*        U  13  -2.215  19.110  -4.405
  138   2HO*    U  13          2HO*        U  13  -4.622  18.946  -4.945
  139    H1*    U  13           H1*        U  13  -4.012  20.715  -5.761
  140    H3     U  13           H3         U  13  -0.983  22.027  -8.804
  141    H5     U  13           H5         U  13   1.383  20.994  -5.474
  142    H6     U  13           H6         U  13  -0.657  20.639  -4.215
  143   1H5*    A  14          1H5*        A  14  -5.711  17.556  -0.380
  144   2H5*    A  14          2H5*        A  14  -5.061  15.924  -0.635
  145    H4*    A  14           H4*        A  14  -7.187  17.005  -2.008
  146    H3*    A  14           H3*        A  14  -5.264  14.737  -2.508
  147    H2*    A  14           H2*        A  14  -5.860  14.557  -4.760
  148   2HO*    A  14          2HO*        A  14  -7.887  14.876  -5.449
  149    H1*    A  14           H1*        A  14  -6.557  17.212  -5.297
  150    H8     A  14           H8         A  14  -3.153  17.085  -3.747
  151   1H6     A  14          1H6         A  14  -0.866  16.625  -9.140
  152   2H6     A  14          2H6         A  14  -0.543  15.440  -7.894
  153    H2     A  14           H2         A  14  -5.385  15.437  -9.515
  154   1H5*    A  15          1H5*        A  15  -9.161  11.326  -3.409
  155   2H5*    A  15          2H5*        A  15  -7.773  10.430  -2.757
  156    H4*    A  15           H4*        A  15  -8.712  10.133  -5.298
  157    H3*    A  15           H3*        A  15  -6.096   9.624  -3.933
  158    H2*    A  15           H2*        A  15  -4.824   9.563  -5.915
  159   2HO*    A  15          2HO*        A  15  -7.347   9.149  -7.174
  160    H1*    A  15           H1*        A  15  -5.940  11.587  -7.297
  161    H8     A  15           H8         A  15  -5.732  11.909  -3.448
  162   1H6     A  15          1H6         A  15  -0.648  15.161  -4.380
  163   2H6     A  15          2H6         A  15  -1.388  14.117  -3.189
  164    H2     A  15           H2         A  15  -1.936  13.443  -8.364
  165   1H5*    A  16          1H5*        A  16  -5.676   7.580  -7.140
  166   2H5*    A  16          2H5*        A  16  -4.993   5.959  -6.906
  167    H4*    A  16           H4*        A  16  -3.445   7.398  -8.185
  168    H3*    A  16           H3*        A  16  -2.663   6.484  -5.397
  169    H2*    A  16           H2*        A  16  -0.597   7.607  -5.611
  170   2HO*    A  16          2HO*        A  16   0.206   8.284  -7.628
  171    H1*    A  16           H1*        A  16  -1.505   9.839  -6.957
  172    H8     A  16           H8         A  16  -3.801   8.906  -4.098
  173   1H6     A  16          1H6         A  16   0.130  11.777  -0.329
  174   2H6     A  16          2H6         A  16  -1.488  11.130  -0.486
  175    H2     A  16           H2         A  16   2.003  11.580  -4.414
  176   1H5*    C  17          1H5*        C  17   0.211   6.370  -8.103
  177   2H5*    C  17          2H5*        C  17   0.937   4.801  -8.503
  178    H4*    C  17           H4*        C  17   2.801   6.220  -8.406
  179    H3*    C  17           H3*        C  17   2.368   4.825  -5.746
  180    H2*    C  17           H2*        C  17   4.221   5.977  -4.832
  181   2HO*    C  17          2HO*        C  17   4.888   6.700  -7.521
  182    H1*    C  17           H1*        C  17   3.789   8.420  -6.015
  183   1H4     C  17          1H4         C  17   1.468   8.449  -0.064
  184   2H4     C  17          2H4         C  17  -0.130   8.197  -0.726
  185    H5     C  17           H5         C  17  -0.080   6.586  -2.697
  186    H6     C  17           H6         C  17   0.977   6.292  -4.886
  187   1H5*    C  18          1H5*        C  18   6.388   4.723  -6.751
  188   2H5*    C  18          2H5*        C  18   7.003   3.070  -6.953
  189    H4*    C  18           H4*        C  18   8.681   4.084  -5.677
  190    H3*    C  18           H3*        C  18   6.698   2.642  -3.878
  191    H2*    C  18           H2*        C  18   7.938   3.341  -1.978
  192   2HO*    C  18          2HO*        C  18  10.003   4.659  -2.657
  193    H1*    C  18           H1*        C  18   8.400   5.914  -2.760
  194   1H4     C  18          1H4         C  18   3.036   6.280   0.609
  195   2H4     C  18          2H4         C  18   2.138   5.452  -0.644
  196    H5     C  18           H5         C  18   3.165   4.575  -2.642
  197    H6     C  18           H6         C  18   5.269   4.309  -3.866
  198   1H5*    U  19          1H5*        U  19  10.394   0.990  -2.718
  199   2H5*    U  19          2H5*        U  19  10.214  -0.625  -2.000
  200    H4*    U  19           H4*        U  19  10.754   1.194  -0.337
  201    H3*    U  19           H3*        U  19   8.302  -0.565  -0.175
  202    H2*    U  19           H2*        U  19   7.477   0.605   1.698
  203   2HO*    U  19          2HO*        U  19   9.972   1.964   1.964
  204    H1*    U  19           H1*        U  19   8.196   3.153   0.985
  205    H3     U  19           H3         U  19   3.672   3.040   0.831
  206    H5     U  19           H5         U  19   4.880   1.047  -2.679
  207    H6     U  19           H6         U  19   7.165   1.147  -1.874
  208   1H5*    A  20          1H5*        A  20   9.316  -4.362   2.641
  209   2H5*    A  20          2H5*        A  20   7.645  -3.860   2.970
  210    H4*    A  20           H4*        A  20  10.209  -2.883   4.148
  211    H3*    A  20           H3*        A  20   7.411  -3.520   5.068
  212    H2*    A  20           H2*        A  20   7.377  -1.782   6.644
  213   2HO*    A  20          2HO*        A  20   9.775  -2.460   7.133
  214    H1*    A  20           H1*        A  20   8.719   0.157   5.268
  215    H8     A  20           H8         A  20   6.426  -1.701   2.911
  216   1H6     A  20          1H6         A  20   1.809   1.758   5.016
  217   2H6     A  20          2H6         A  20   2.381   0.863   3.626
  218    H2     A  20           H2         A  20   5.443   2.604   7.542
  219   1H5*    U  21          1H5*        U  21   8.374  -3.972   8.610
  220   2H5*    U  21          2H5*        U  21   8.263  -5.641   9.203
  221    H4*    U  21           H4*        U  21   6.595  -4.542  10.436
  222    H3*    U  21           H3*        U  21   5.450  -5.860   7.960
  223    H2*    U  21           H2*        U  21   3.337  -4.957   8.395
  224   2HO*    U  21          2HO*        U  21   2.582  -4.639  10.417
  225    H1*    U  21           H1*        U  21   4.137  -2.601   9.724
  226    H3     U  21           H3         U  21   1.908  -0.602   6.409
  227    H5     U  21           H5         U  21   4.546  -3.153   4.336
  228    H6     U  21           H6         U  21   5.331  -3.974   6.480
  229   1H5*    C  22          1H5*        C  22   3.296  -6.601  11.642
  230   2H5*    C  22          2H5*        C  22   2.747  -8.278  11.849
  231    H4*    C  22           H4*        C  22   0.872  -6.797  12.283
  232    H3*    C  22           H3*        C  22   0.809  -8.350   9.678
  233    H2*    C  22           H2*        C  22  -1.244  -7.382   9.100
  234   2HO*    C  22          2HO*        C  22  -2.690  -6.671  10.590
  235    H1*    C  22           H1*        C  22  -0.797  -4.818  10.244
  236   1H4     C  22          1H4         C  22   0.117  -3.910   4.024
  237   2H4     C  22          2H4         C  22   1.268  -5.224   3.939
  238    H5     C  22           H5         C  22   2.227  -6.175   5.959
  239    H6     C  22           H6         C  22   1.842  -6.577   8.345
  240   1H5*    G  23          1H5*        G  23  -2.955  -8.540  11.297
  241   2H5*    G  23          2H5*        G  23  -3.674 -10.159  11.194
  242    H4*    G  23           H4*        G  23  -5.115  -8.535  10.062
  243    H3*    G  23           H3*        G  23  -3.620 -10.504   8.287
  244    H2*    G  23           H2*        G  23  -4.700  -9.578   6.421
  245   2HO*    G  23          2HO*        G  23  -6.606  -8.131   6.854
  246    H1*    G  23           H1*        G  23  -4.926  -6.940   7.407
  247    H8     G  23           H8         G  23  -1.488  -8.618   7.333
  248    H1     G  23           H1         G  23  -3.090  -5.791   1.850
  249   1H2     G  23          1H2         G  23  -5.167  -5.021   1.983
  250   2H2     G  23          2H2         G  23  -6.223  -5.416   3.319
  251   1H5*    C  24          1H5*        C  24  -8.089 -10.364   7.635
  252   2H5*    C  24          2H5*        C  24  -8.625 -12.050   7.768
  253    H4*    C  24           H4*        C  24  -9.844 -11.284   5.924
  254    H3*    C  24           H3*        C  24  -7.272 -12.617   5.021
  255    H2*    C  24           H2*        C  24  -7.800 -12.133   2.770
  256   2HO*    C  24          2HO*        C  24 -10.357 -12.273   3.738
  257    H1*    C  24           H1*        C  24  -8.840  -9.616   3.134
  258   1H4     C  24          1H4         C  24  -2.796  -8.677   1.415
  259   2H4     C  24          2H4         C  24  -2.215  -9.352   2.920
  260    H5     C  24           H5         C  24  -3.671 -10.302   4.589
  261    H6     C  24           H6         C  24  -6.000 -10.797   5.179
  262   1H5*    U  25          1H5*        U  25 -10.510 -13.568   2.517
  263   2H5*    U  25          2H5*        U  25 -10.767 -15.323   2.464
  264    H4*    U  25           H4*        U  25 -10.910 -14.620   0.201
  265    H3*    U  25           H3*        U  25  -8.216 -15.808   0.925
  266    H2*    U  25           H2*        U  25  -7.424 -15.411  -1.266
  267   2HO*    U  25          2HO*        U  25  -8.728 -15.300  -2.993
  268    H1*    U  25           H1*        U  25  -8.579 -12.955  -1.678
  269    H3     U  25           H3         U  25  -4.271 -11.739  -1.331
  270    H5     U  25           H5         U  25  -5.134 -13.310   2.486
  271    H6     U  25           H6         U  25  -7.328 -13.930   1.661
  272   1H5*    C  26          1H5*        C  26  -9.705 -17.126  -2.769
  273   2H5*    C  26          2H5*        C  26  -9.535 -18.865  -3.079
  274    H4*    C  26           H4*        C  26  -8.625 -17.608  -4.965
  275    H3*    C  26           H3*        C  26  -6.679 -19.095  -3.176
  276    H2*    C  26           H2*        C  26  -4.869 -18.373  -4.516
  277   2HO*    C  26          2HO*        C  26  -5.951 -16.985  -6.500
  278    H1*    C  26           H1*        C  26  -5.706 -15.797  -4.939
  279   1H4     C  26          1H4         C  26  -1.669 -15.665  -0.017
  280   2H4     C  26          2H4         C  26  -2.925 -16.231   1.061
  281    H5     C  26           H5         C  26  -5.018 -17.134   0.257
  282    H6     C  26           H6         C  26  -6.486 -17.359  -1.693
  283   1H5*    C  27          1H5*        C  27  -6.447 -19.738  -7.412
  284   2H5*    C  27          2H5*        C  27  -5.900 -21.323  -7.993
  285    H4*    C  27           H4*        C  27  -4.627 -19.401  -8.962
  286    H3*    C  27           H3*        C  27  -3.278 -21.535  -7.318
  287    H2*    C  27           H2*        C  27  -1.172 -20.508  -7.642
  288   2HO*    C  27          2HO*        C  27  -2.540 -18.958  -9.614
  289    H1*    C  27           H1*        C  27  -1.952 -17.987  -7.079
  290   1H4     C  27          1H4         C  27  -0.516 -20.727  -1.491
  291   2H4     C  27          2H4         C  27  -2.151 -21.341  -1.378
  292    H5     C  27           H5         C  27  -3.662 -21.366  -3.278
  293    H6     C  27           H6         C  27  -4.072 -20.485  -5.498
  294    H3T    C  27           H3T        C  27  -3.634 -22.354  -9.260
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   9.691 -16.822   2.054
    2   2H5*    G   1          2H5*        G   1  11.025 -17.476   1.080
    3    H4*    G   1           H4*        G   1  10.391 -16.019  -0.799
    4    H3*    G   1           H3*        G   1   8.763 -14.699   1.282
    5    H2*    G   1           H2*        G   1   6.707 -15.338   0.459
    6   2HO*    G   1          2HO*        G   1   7.299 -14.685  -2.188
    7    H1*    G   1           H1*        G   1   7.741 -16.578  -2.048
    8    H8     G   1           H8         G   1   6.749 -18.168   1.314
    9    H1     G   1           H1         G   1   2.369 -18.828  -3.276
   10   1H2     G   1          1H2         G   1   2.964 -17.652  -5.064
   11   2H2     G   1          2H2         G   1   4.510 -16.841  -5.178
   12    H5T    G   1           H5T        G   1  10.898 -15.204   2.550
   13   1H5*    G   2          1H5*        G   2   9.007 -12.935  -3.149
   14   2H5*    G   2          2H5*        G   2   8.790 -11.175  -3.072
   15    H4*    G   2           H4*        G   2   7.583 -12.064  -5.003
   16    H3*    G   2           H3*        G   2   5.890 -11.091  -2.669
   17    H2*    G   2           H2*        G   2   3.950 -11.537  -3.959
   18   2HO*    G   2          2HO*        G   2   4.091 -11.014  -6.006
   19    H1*    G   2           H1*        G   2   4.812 -13.908  -5.072
   20    H8     G   2           H8         G   2   5.693 -13.585  -1.392
   21    H1     G   2           H1         G   2  -0.325 -15.444  -2.364
   22   1H2     G   2          1H2         G   2  -0.806 -15.344  -4.531
   23   2H2     G   2          2H2         G   2   0.318 -14.716  -5.714
   24   1H5*    A   3          1H5*        A   3   4.899  -9.087  -6.610
   25   2H5*    A   3          2H5*        A   3   4.573  -7.372  -6.294
   26    H4*    A   3           H4*        A   3   2.822  -8.327  -7.728
   27    H3*    A   3           H3*        A   3   2.051  -7.558  -4.888
   28    H2*    A   3           H2*        A   3  -0.202  -8.116  -5.415
   29   2HO*    A   3          2HO*        A   3  -0.898  -8.433  -7.536
   30    H1*    A   3           H1*        A   3   0.342 -10.433  -6.762
   31    H8     A   3           H8         A   3   2.594  -9.844  -3.740
   32   1H6     A   3          1H6         A   3  -1.825 -12.449  -0.337
   33   2H6     A   3          2H6         A   3  -0.227 -11.738  -0.308
   34    H2     A   3           H2         A   3  -3.420 -11.896  -4.505
   35   1H5*    G   4          1H5*        G   4  -0.604  -6.593  -7.590
   36   2H5*    G   4          2H5*        G   4  -0.796  -4.855  -7.898
   37    H4*    G   4           H4*        G   4  -2.992  -5.639  -8.051
   38    H3*    G   4           H3*        G   4  -2.446  -4.649  -5.219
   39    H2*    G   4           H2*        G   4  -4.702  -5.189  -4.654
   40   2HO*    G   4          2HO*        G   4  -5.877  -4.650  -6.457
   41    H1*    G   4           H1*        G   4  -4.620  -7.694  -5.579
   42    H8     G   4           H8         G   4  -1.167  -6.331  -4.626
   43    H1     G   4           H1         G   4  -4.389  -8.791   0.253
   44   1H2     G   4          1H2         G   4  -6.426  -9.398  -0.394
   45   2H2     G   4          2H2         G   4  -7.069  -8.928  -1.951
   46   1H5*    C   5          1H5*        C   5  -5.859  -3.103  -5.562
   47   2H5*    C   5          2H5*        C   5  -5.935  -1.336  -5.390
   48    H4*    C   5           H4*        C   5  -7.325  -2.277  -3.662
   49    H3*    C   5           H3*        C   5  -4.656  -1.147  -2.813
   50    H2*    C   5           H2*        C   5  -4.903  -1.903  -0.628
   51   2HO*    C   5          2HO*        C   5  -6.726  -1.409   0.307
   52    H1*    C   5           H1*        C   5  -6.573  -4.128  -1.078
   53   1H4     C   5          1H4         C   5  -0.958  -6.365   0.871
   54   2H4     C   5          2H4         C   5  -0.173  -5.785  -0.580
   55    H5     C   5           H5         C   5  -1.391  -4.765  -2.402
   56    H6     C   5           H6         C   5  -3.531  -3.781  -3.078
   57   1H5*    G   6          1H5*        G   6  -8.170   0.065  -0.207
   58   2H5*    G   6          2H5*        G   6  -8.129   1.839  -0.156
   59    H4*    G   6           H4*        G   6  -8.624   1.169   2.070
   60    H3*    G   6           H3*        G   6  -5.712   1.900   1.643
   61    H2*    G   6           H2*        G   6  -5.235   1.400   3.902
   62   2HO*    G   6          2HO*        G   6  -7.785   0.864   4.793
   63    H1*    G   6           H1*        G   6  -6.844  -0.820   4.171
   64    H8     G   6           H8         G   6  -4.752  -0.330   0.972
   65    H1     G   6           H1         G   6  -1.800  -3.633   5.559
   66   1H2     G   6          1H2         G   6  -3.009  -3.586   7.422
   67   2H2     G   6          2H2         G   6  -4.639  -2.951   7.457
   68   1H5*    G   7          1H5*        G   7  -7.529   3.385   5.319
   69   2H5*    G   7          2H5*        G   7  -7.197   5.120   5.494
   70    H4*    G   7           H4*        G   7  -6.735   4.156   7.627
   71    H3*    G   7           H3*        G   7  -4.254   4.721   5.972
   72    H2*    G   7           H2*        G   7  -2.901   3.900   7.754
   73   2HO*    G   7          2HO*        G   7  -4.873   4.843   9.256
   74    H1*    G   7           H1*        G   7  -4.400   1.727   8.371
   75    H8     G   7           H8         G   7  -3.830   2.966   4.738
   76    H1     G   7           H1         G   7  -0.095  -1.873   6.555
   77   1H2     G   7          1H2         G   7  -0.241  -1.836   9.019
   78   2H2     G   7          2H2         G   7  -1.950  -2.092   9.295
   79   1H5*    G   8          1H5*        G   8  -2.899   5.657   9.099
   80   2H5*    G   8          2H5*        G   8  -2.550   7.370   9.406
   81    H4*    G   8           H4*        G   8  -0.518   6.318   9.919
   82    H3*    G   8           H3*        G   8  -0.513   7.339   7.057
   83    H2*    G   8           H2*        G   8   1.705   6.531   6.801
   84   2HO*    G   8          2HO*        G   8   2.656   5.535   8.871
   85    H1*    G   8           H1*        G   8   1.354   4.127   8.049
   86    H8     G   8           H8         G   8  -1.791   4.746   6.145
   87    H1     G   8           H1         G   8   3.022   3.102   2.293
   88   1H2     G   8          1H2         G   8   4.920   3.010   3.470
   89   2H2     G   8          2H2         G   8   5.051   3.788   5.031
   90   1H5*    G   9          1H5*        G   9   2.930   8.811   9.215
   91   2H5*    G   9          2H5*        G   9   3.202  10.549   8.970
   92    H4*    G   9           H4*        G   9   5.277   9.330   8.567
   93    H3*    G   9           H3*        G   9   3.874  10.668   6.252
   94    H2*    G   9           H2*        G   9   5.438   9.792   4.697
   95   2HO*    G   9          2HO*        G   9   7.000   8.974   6.944
   96    H1*    G   9           H1*        G   9   5.597   7.294   5.601
   97    H8     G   9           H8         G   9   2.071   8.635   6.137
   98    H1     G   9           H1         G   9   3.093   6.388   0.254
   99   1H2     G   9          1H2         G   9   5.242   5.641   0.141
  100   2H2     G   9          2H2         G   9   6.438   6.497   1.087
  101   1H5*    G  10          1H5*        G  10   7.712  10.692   5.540
  102   2H5*    G  10          2H5*        G  10   8.466  12.292   5.388
  103    H4*    G  10           H4*        G  10   9.219  11.088   3.490
  104    H3*    G  10           H3*        G  10   6.909  12.955   2.894
  105    H2*    G  10           H2*        G  10   6.892  12.262   0.633
  106   2HO*    G  10          2HO*        G  10   8.647  11.087  -0.268
  107    H1*    G  10           H1*        G  10   7.352   9.585   1.029
  108    H8     G  10           H8         G  10   4.980  11.344   3.475
  109    H1     G  10           H1         G  10   2.088   9.018  -1.700
  110   1H2     G  10          1H2         G  10   3.612   8.392  -3.197
  111   2H2     G  10          2H2         G  10   5.304   8.241  -2.781
  112   1H5*    U  11          1H5*        U  11   9.238  13.163  -0.096
  113   2H5*    U  11          2H5*        U  11   9.780  14.755  -0.666
  114    H4*    U  11           H4*        U  11   8.704  13.684  -2.527
  115    H3*    U  11           H3*        U  11   7.176  15.891  -1.156
  116    H2*    U  11           H2*        U  11   5.204  15.391  -2.252
  117   2HO*    U  11          2HO*        U  11   6.967  15.253  -4.336
  118    H1*    U  11           H1*        U  11   5.899  12.741  -3.204
  119    H3     U  11           H3         U  11   1.662  11.941  -1.969
  120    H5     U  11           H5         U  11   3.415  13.480   1.545
  121    H6     U  11           H6         U  11   5.450  13.875   0.277
  122   1H5*    G  12          1H5*        G  12   5.804  19.267  -2.323
  123   2H5*    G  12          2H5*        G  12   5.696  17.541  -1.930
  124    H4*    G  12           H4*        G  12   4.461  18.413  -4.509
  125    H3*    G  12           H3*        G  12   3.528  19.338  -1.780
  126    H2*    G  12           H2*        G  12   1.283  18.803  -2.319
  127   2HO*    G  12          2HO*        G  12   1.127  17.924  -4.720
  128    H1*    G  12           H1*        G  12   1.726  16.408  -3.515
  129    H8     G  12           H8         G  12   4.042  17.215  -0.565
  130    H1     G  12           H1         G  12  -1.480  14.557   1.175
  131   1H2     G  12          1H2         G  12  -2.913  14.644  -0.570
  132   2H2     G  12          2H2         G  12  -2.249  14.593  -2.188
  133   1H5*    U  13          1H5*        U  13   1.604  23.137  -4.164
  134   2H5*    U  13          2H5*        U  13   1.429  24.102  -2.687
  135    H4*    U  13           H4*        U  13  -0.706  23.392  -2.314
  136    H3*    U  13           H3*        U  13   0.449  20.793  -2.609
  137    H2*    U  13           H2*        U  13  -0.584  19.907  -4.474
  138   2HO*    U  13          2HO*        U  13  -3.024  20.940  -4.539
  139    H1*    U  13           H1*        U  13  -1.909  21.993  -5.705
  140    H3     U  13           H3         U  13   0.975  22.161  -9.136
  141    H5     U  13           H5         U  13   3.262  20.448  -6.039
  142    H6     U  13           H6         U  13   1.399  20.831  -4.541
  143   1H5*    A  14          1H5*        A  14  -3.884  19.525  -0.131
  144   2H5*    A  14          2H5*        A  14  -3.732  17.768  -0.333
  145    H4*    A  14           H4*        A  14  -5.667  19.258  -1.529
  146    H3*    A  14           H3*        A  14  -4.322  16.650  -2.265
  147    H2*    A  14           H2*        A  14  -5.278  16.652  -4.399
  148   2HO*    A  14          2HO*        A  14  -7.371  17.575  -3.067
  149    H1*    A  14           H1*        A  14  -5.428  19.408  -4.846
  150    H8     A  14           H8         A  14  -2.000  18.275  -3.726
  151   1H6     A  14          1H6         A  14  -0.634  17.590  -9.587
  152   2H6     A  14          2H6         A  14  -0.236  16.767  -8.096
  153    H2     A  14           H2         A  14  -5.173  17.948  -9.272
  154   1H5*    A  15          1H5*        A  15  -9.011  14.236  -2.939
  155   2H5*    A  15          2H5*        A  15  -7.765  13.060  -2.468
  156    H4*    A  15           H4*        A  15  -8.951  13.157  -4.938
  157    H3*    A  15           H3*        A  15  -6.408  12.005  -3.835
  158    H2*    A  15           H2*        A  15  -5.383  11.758  -5.947
  159   2HO*    A  15          2HO*        A  15  -6.849  12.286  -7.875
  160    H1*    A  15           H1*        A  15  -6.077  14.095  -7.087
  161    H8     A  15           H8         A  15  -5.522  14.055  -3.261
  162   1H6     A  15          1H6         A  15   0.229  15.861  -4.480
  163   2H6     A  15          2H6         A  15  -0.888  15.393  -3.217
  164    H2     A  15           H2         A  15  -1.837  15.036  -8.396
  165   1H5*    A  16          1H5*        A  16  -7.006  10.049  -7.141
  166   2H5*    A  16          2H5*        A  16  -6.827   8.285  -7.053
  167    H4*    A  16           H4*        A  16  -5.205   9.234  -8.634
  168    H3*    A  16           H3*        A  16  -4.233   7.964  -6.067
  169    H2*    A  16           H2*        A  16  -1.982   8.502  -6.579
  170   2HO*    A  16          2HO*        A  16  -1.349   9.172  -8.657
  171    H1*    A  16           H1*        A  16  -2.358  11.032  -7.468
  172    H8     A  16           H8         A  16  -4.735  10.057  -4.636
  173   1H6     A  16          1H6         A  16  -0.345  11.934  -0.749
  174   2H6     A  16          2H6         A  16  -1.973  11.308  -0.878
  175    H2     A  16           H2         A  16   1.354  12.005  -4.911
  176   1H5*    C  17          1H5*        C  17  -1.544   6.972  -9.053
  177   2H5*    C  17          2H5*        C  17  -1.238   5.224  -9.108
  178    H4*    C  17           H4*        C  17   0.904   6.293  -8.939
  179    H3*    C  17           H3*        C  17  -0.096   5.084  -6.336
  180    H2*    C  17           H2*        C  17   1.901   5.761  -5.278
  181   2HO*    C  17          2HO*        C  17   2.893   5.517  -7.853
  182    H1*    C  17           H1*        C  17   2.236   8.179  -6.603
  183   1H4     C  17          1H4         C  17  -0.098   9.633  -0.884
  184   2H4     C  17          2H4         C  17  -1.636   8.898  -1.272
  185    H5     C  17           H5         C  17  -2.001   7.611  -3.275
  186    H6     C  17           H6         C  17  -1.038   6.918  -5.414
  187   1H5*    C  18          1H5*        C  18   4.002   3.811  -7.661
  188   2H5*    C  18          2H5*        C  18   4.172   2.062  -7.405
  189    H4*    C  18           H4*        C  18   6.180   3.180  -6.610
  190    H3*    C  18           H3*        C  18   4.321   1.986  -4.529
  191    H2*    C  18           H2*        C  18   5.780   2.715  -2.799
  192   2HO*    C  18          2HO*        C  18   7.877   2.929  -3.120
  193    H1*    C  18           H1*        C  18   6.268   5.210  -3.743
  194   1H4     C  18          1H4         C  18   1.161   5.766   0.017
  195   2H4     C  18          2H4         C  18   0.120   5.300  -1.310
  196    H5     C  18           H5         C  18   0.977   4.224  -3.301
  197    H6     C  18           H6         C  18   2.990   3.803  -4.637
  198   1H5*    U  19          1H5*        U  19   8.110  -0.001  -3.728
  199   2H5*    U  19          2H5*        U  19   7.816  -1.537  -2.885
  200    H4*    U  19           H4*        U  19   8.849   0.339  -1.487
  201    H3*    U  19           H3*        U  19   6.411  -1.285  -0.781
  202    H2*    U  19           H2*        U  19   5.927   0.028   1.118
  203   2HO*    U  19          2HO*        U  19   8.606   0.260   1.188
  204    H1*    U  19           H1*        U  19   6.524   2.499   0.140
  205    H3     U  19           H3         U  19   2.006   2.215   0.640
  206    H5     U  19           H5         U  19   2.805   0.348  -3.053
  207    H6     U  19           H6         U  19   5.172   0.494  -2.539
  208   1H5*    A  20          1H5*        A  20   7.543  -4.826   2.236
  209   2H5*    A  20          2H5*        A  20   5.992  -4.142   2.767
  210    H4*    A  20           H4*        A  20   8.790  -3.355   3.496
  211    H3*    A  20           H3*        A  20   6.155  -3.819   4.886
  212    H2*    A  20           H2*        A  20   6.489  -2.060   6.415
  213   2HO*    A  20          2HO*        A  20   8.494  -1.270   6.920
  214    H1*    A  20           H1*        A  20   7.590  -0.199   4.772
  215    H8     A  20           H8         A  20   4.933  -2.168   2.916
  216   1H6     A  20          1H6         A  20   0.684   0.997   5.622
  217   2H6     A  20          2H6         A  20   1.127   1.049   3.930
  218    H2     A  20           H2         A  20   4.742   2.493   7.300
  219   1H5*    U  21          1H5*        U  21   8.165  -4.299   8.223
  220   2H5*    U  21          2H5*        U  21   8.152  -5.958   8.855
  221    H4*    U  21           H4*        U  21   7.121  -4.753  10.578
  222    H3*    U  21           H3*        U  21   5.081  -5.961   8.698
  223    H2*    U  21           H2*        U  21   3.313  -4.909   9.836
  224   2HO*    U  21          2HO*        U  21   3.432  -4.320  11.961
  225    H1*    U  21           H1*        U  21   4.579  -2.536  10.519
  226    H3     U  21           H3         U  21   1.529  -0.883   7.694
  227    H5     U  21           H5         U  21   3.693  -3.566   5.268
  228    H6     U  21           H6         U  21   4.970  -4.206   7.229
  229   1H5*    C  22          1H5*        C  22   3.386  -6.849  12.202
  230   2H5*    C  22          2H5*        C  22   2.940  -8.560  12.365
  231    H4*    C  22           H4*        C  22   0.908  -7.282  12.558
  232    H3*    C  22           H3*        C  22   1.300  -8.655   9.875
  233    H2*    C  22           H2*        C  22  -0.744  -7.802   9.127
  234   2HO*    C  22          2HO*        C  22  -1.777  -6.789  11.463
  235    H1*    C  22           H1*        C  22  -0.707  -5.368  10.645
  236   1H4     C  22          1H4         C  22   0.144  -3.652   4.580
  237   2H4     C  22          2H4         C  22   1.592  -4.625   4.453
  238    H5     C  22           H5         C  22   2.604  -5.688   6.379
  239    H6     C  22           H6         C  22   2.221  -6.434   8.682
  240   1H5*    G  23          1H5*        G  23  -2.591  -9.299  11.392
  241   2H5*    G  23          2H5*        G  23  -3.201 -10.938  11.088
  242    H4*    G  23           H4*        G  23  -4.750  -9.236  10.195
  243    H3*    G  23           H3*        G  23  -3.256 -10.999   8.214
  244    H2*    G  23           H2*        G  23  -4.426  -9.953   6.460
  245   2HO*    G  23          2HO*        G  23  -6.359  -9.747   8.388
  246    H1*    G  23           H1*        G  23  -4.577  -7.396   7.588
  247    H8     G  23           H8         G  23  -1.180  -9.166   7.499
  248    H1     G  23           H1         G  23  -2.551  -5.917   2.190
  249   1H2     G  23          1H2         G  23  -5.007  -5.784   2.208
  250   2H2     G  23          2H2         G  23  -5.339  -4.919   3.690
  251   1H5*    C  24          1H5*        C  24  -7.776 -10.944   7.649
  252   2H5*    C  24          2H5*        C  24  -8.233 -12.657   7.713
  253    H4*    C  24           H4*        C  24  -9.545 -11.843   5.948
  254    H3*    C  24           H3*        C  24  -6.965 -13.060   4.919
  255    H2*    C  24           H2*        C  24  -7.544 -12.477   2.704
  256   2HO*    C  24          2HO*        C  24 -10.174 -12.160   3.762
  257    H1*    C  24           H1*        C  24  -8.632 -10.008   3.203
  258   1H4     C  24          1H4         C  24  -2.565  -9.238   1.361
  259   2H4     C  24          2H4         C  24  -2.084  -9.219   3.041
  260    H5     C  24           H5         C  24  -3.439 -10.575   4.609
  261    H6     C  24           H6         C  24  -5.750 -11.141   5.208
  262   1H5*    U  25          1H5*        U  25 -10.068 -14.083   2.245
  263   2H5*    U  25          2H5*        U  25 -10.197 -15.853   2.173
  264    H4*    U  25           H4*        U  25 -10.201 -15.159  -0.094
  265    H3*    U  25           H3*        U  25  -7.480 -16.122   0.838
  266    H2*    U  25           H2*        U  25  -6.576 -15.671  -1.301
  267   2HO*    U  25          2HO*        U  25  -9.148 -15.130  -2.378
  268    H1*    U  25           H1*        U  25  -7.914 -13.322  -1.811
  269    H3     U  25           H3         U  25  -3.733 -11.777  -1.254
  270    H5     U  25           H5         U  25  -4.680 -13.378   2.531
  271    H6     U  25           H6         U  25  -6.773 -14.161   1.599
  272   1H5*    C  26          1H5*        C  26  -8.712 -17.606  -2.923
  273   2H5*    C  26          2H5*        C  26  -8.361 -19.320  -3.225
  274    H4*    C  26           H4*        C  26  -7.546 -17.914  -5.078
  275    H3*    C  26           H3*        C  26  -5.540 -19.367  -3.328
  276    H2*    C  26           H2*        C  26  -3.753 -18.472  -4.593
  277   2HO*    C  26          2HO*        C  26  -4.738 -17.092  -6.564
  278    H1*    C  26           H1*        C  26  -4.754 -15.939  -4.955
  279   1H4     C  26          1H4         C  26  -0.760 -15.690  -0.008
  280   2H4     C  26          2H4         C  26  -2.010 -16.289   1.058
  281    H5     C  26           H5         C  26  -4.070 -17.247   0.237
  282    H6     C  26           H6         C  26  -5.505 -17.529  -1.729
  283   1H5*    C  27          1H5*        C  27  -4.989 -19.501  -7.405
  284   2H5*    C  27          2H5*        C  27  -4.689 -21.069  -8.181
  285    H4*    C  27           H4*        C  27  -3.141 -19.418  -9.061
  286    H3*    C  27           H3*        C  27  -2.025 -21.571  -7.279
  287    H2*    C  27           H2*        C  27   0.157 -20.706  -7.507
  288   2HO*    C  27          2HO*        C  27  -0.296 -20.198  -9.868
  289    H1*    C  27           H1*        C  27  -0.459 -18.101  -7.128
  290   1H4     C  27          1H4         C  27   0.490 -20.489  -1.296
  291   2H4     C  27          2H4         C  27  -1.083 -21.255  -1.332
  292    H5     C  27           H5         C  27  -2.519 -21.230  -3.278
  293    H6     C  27           H6         C  27  -2.774 -20.441  -5.556
  294    H3T    C  27           H3T        C  27  -1.134 -22.119  -9.407
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   8.610 -17.856   1.709
    2   2H5*    G   1          2H5*        G   1   9.658 -18.905   0.733
    3    H4*    G   1           H4*        G   1   9.259 -17.398  -1.230
    4    H3*    G   1           H3*        G   1   7.914 -15.780   0.851
    5    H2*    G   1           H2*        G   1   5.762 -16.152   0.100
    6   2HO*    G   1          2HO*        G   1   6.291 -15.689  -2.583
    7    H1*    G   1           H1*        G   1   6.573 -17.602  -2.382
    8    H8     G   1           H8         G   1   5.331 -18.845   1.053
    9    H1     G   1           H1         G   1   0.997 -19.219  -3.608
   10   1H2     G   1          1H2         G   1   1.845 -18.410  -5.496
   11   2H2     G   1          2H2         G   1   3.354 -17.526  -5.528
   12    H5T    G   1           H5T        G   1  10.072 -16.138   1.235
   13   1H5*    G   2          1H5*        G   2   8.203 -14.247  -3.670
   14   2H5*    G   2          2H5*        G   2   8.394 -12.484  -3.596
   15    H4*    G   2           H4*        G   2   6.953 -12.964  -5.463
   16    H3*    G   2           H3*        G   2   5.542 -11.886  -2.999
   17    H2*    G   2           H2*        G   2   3.484 -11.965  -4.156
   18   2HO*    G   2          2HO*        G   2   3.377 -12.153  -6.417
   19    H1*    G   2           H1*        G   2   3.894 -14.335  -5.506
   20    H8     G   2           H8         G   2   4.957 -14.193  -1.829
   21    H1     G   2           H1         G   2  -1.166 -15.739  -2.685
   22   1H2     G   2          1H2         G   2  -1.718 -15.484  -4.819
   23   2H2     G   2          2H2         G   2  -0.539 -15.105  -6.052
   24   1H5*    A   3          1H5*        A   3   4.784  -9.549  -6.796
   25   2H5*    A   3          2H5*        A   3   4.579  -7.825  -6.428
   26    H4*    A   3           H4*        A   3   2.741  -8.655  -7.850
   27    H3*    A   3           H3*        A   3   2.088  -7.824  -4.997
   28    H2*    A   3           H2*        A   3  -0.209  -8.228  -5.467
   29   2HO*    A   3          2HO*        A   3   0.484  -8.649  -8.208
   30    H1*    A   3           H1*        A   3   0.133 -10.585  -6.795
   31    H8     A   3           H8         A   3   2.500 -10.056  -3.835
   32   1H6     A   3          1H6         A   3  -1.864 -12.572  -0.327
   33   2H6     A   3          2H6         A   3  -0.384 -11.643  -0.274
   34    H2     A   3           H2         A   3  -3.603 -11.887  -4.430
   35   1H5*    G   4          1H5*        G   4  -0.545  -6.721  -7.640
   36   2H5*    G   4          2H5*        G   4  -0.722  -4.980  -7.928
   37    H4*    G   4           H4*        G   4  -2.931  -5.746  -8.014
   38    H3*    G   4           H3*        G   4  -2.301  -4.766  -5.192
   39    H2*    G   4           H2*        G   4  -4.576  -5.231  -4.617
   40   2HO*    G   4          2HO*        G   4  -4.999  -6.013  -7.340
   41    H1*    G   4           H1*        G   4  -4.549  -7.744  -5.527
   42    H8     G   4           H8         G   4  -1.066  -6.455  -4.568
   43    H1     G   4           H1         G   4  -4.359  -8.819   0.310
   44   1H2     G   4          1H2         G   4  -6.431  -9.302  -0.314
   45   2H2     G   4          2H2         G   4  -7.019  -8.962  -1.926
   46   1H5*    C   5          1H5*        C   5  -5.642  -3.202  -5.669
   47   2H5*    C   5          2H5*        C   5  -5.811  -1.444  -5.490
   48    H4*    C   5           H4*        C   5  -7.256  -2.447  -3.854
   49    H3*    C   5           H3*        C   5  -4.690  -1.226  -2.846
   50    H2*    C   5           H2*        C   5  -4.968  -2.067  -0.698
   51   2HO*    C   5          2HO*        C   5  -6.857  -1.941   0.267
   52    H1*    C   5           H1*        C   5  -6.542  -4.337  -1.255
   53   1H4     C   5          1H4         C   5  -0.865  -6.240   0.910
   54   2H4     C   5          2H4         C   5  -0.177  -6.026  -0.683
   55    H5     C   5           H5         C   5  -1.294  -4.748  -2.410
   56    H6     C   5           H6         C   5  -3.441  -3.813  -3.133
   57   1H5*    G   6          1H5*        G   6  -8.314  -0.306  -0.278
   58   2H5*    G   6          2H5*        G   6  -8.413   1.465  -0.281
   59    H4*    G   6           H4*        G   6  -8.912   0.842   1.949
   60    H3*    G   6           H3*        G   6  -6.088   1.812   1.524
   61    H2*    G   6           H2*        G   6  -5.457   1.289   3.729
   62   2HO*    G   6          2HO*        G   6  -6.816   1.657   5.306
   63    H1*    G   6           H1*        G   6  -6.898  -1.026   4.089
   64    H8     G   6           H8         G   6  -5.046  -0.417   0.763
   65    H1     G   6           H1         G   6  -1.664  -3.602   5.132
   66   1H2     G   6          1H2         G   6  -2.845  -3.789   7.007
   67   2H2     G   6          2H2         G   6  -4.288  -2.839   7.281
   68   1H5*    G   7          1H5*        G   7  -7.241   3.666   5.071
   69   2H5*    G   7          2H5*        G   7  -6.905   5.410   5.060
   70    H4*    G   7           H4*        G   7  -5.738   4.496   6.950
   71    H3*    G   7           H3*        G   7  -4.029   5.183   4.552
   72    H2*    G   7           H2*        G   7  -2.152   4.205   5.491
   73   2HO*    G   7          2HO*        G   7  -1.614   4.551   7.554
   74    H1*    G   7           H1*        G   7  -3.464   2.516   7.411
   75    H8     G   7           H8         G   7  -3.317   2.442   3.537
   76    H1     G   7           H1         G   7   0.310  -1.921   6.448
   77   1H2     G   7          1H2         G   7   0.411  -1.376   8.678
   78   2H2     G   7          2H2         G   7  -1.079  -0.765   9.363
   79   1H5*    G   8          1H5*        G   8  -2.408   6.299   8.432
   80   2H5*    G   8          2H5*        G   8  -2.331   8.071   8.494
   81    H4*    G   8           H4*        G   8  -0.410   7.288   9.676
   82    H3*    G   8           H3*        G   8   0.114   8.350   6.901
   83    H2*    G   8           H2*        G   8   2.392   7.714   6.975
   84   2HO*    G   8          2HO*        G   8   2.332   6.826   9.635
   85    H1*    G   8           H1*        G   8   2.130   5.270   8.098
   86    H8     G   8           H8         G   8  -0.861   5.896   5.884
   87    H1     G   8           H1         G   8   4.314   4.141   2.591
   88   1H2     G   8          1H2         G   8   6.031   3.850   4.059
   89   2H2     G   8          2H2         G   8   6.065   4.886   5.467
   90   1H5*    G   9          1H5*        G   9   3.252   9.948   9.409
   91   2H5*    G   9          2H5*        G   9   3.351  11.707   9.191
   92    H4*    G   9           H4*        G   9   5.561  10.746   8.873
   93    H3*    G   9           H3*        G   9   4.125  11.843   6.446
   94    H2*    G   9           H2*        G   9   5.929  11.186   5.037
   95   2HO*    G   9          2HO*        G   9   7.344  11.493   7.326
   96    H1*    G   9           H1*        G   9   6.326   8.734   6.020
   97    H8     G   9           H8         G   9   2.651   9.802   6.145
   98    H1     G   9           H1         G   9   4.384   7.082   0.645
   99   1H2     G   9          1H2         G   9   6.579   6.515   0.780
  100   2H2     G   9          2H2         G   9   7.620   7.531   1.752
  101   1H5*    G  10          1H5*        G  10   7.872  12.456   5.926
  102   2H5*    G  10          2H5*        G  10   8.408  14.129   5.695
  103    H4*    G  10           H4*        G  10   9.339  12.979   3.856
  104    H3*    G  10           H3*        G  10   6.735  14.361   3.131
  105    H2*    G  10           H2*        G  10   6.915  13.543   0.919
  106   2HO*    G  10          2HO*        G  10   8.842  12.837   0.044
  107    H1*    G  10           H1*        G  10   7.887  11.034   1.508
  108    H8     G  10           H8         G  10   5.055  12.472   3.673
  109    H1     G  10           H1         G  10   3.035   9.160  -1.378
  110   1H2     G  10          1H2         G  10   4.751   8.693  -2.712
  111   2H2     G  10          2H2         G  10   6.407   9.006  -2.246
  112   1H5*    U  11          1H5*        U  11   8.979  14.684   0.090
  113   2H5*    U  11          2H5*        U  11   9.347  16.318  -0.498
  114    H4*    U  11           H4*        U  11   8.512  15.204  -2.406
  115    H3*    U  11           H3*        U  11   6.426  16.894  -1.014
  116    H2*    U  11           H2*        U  11   4.729  16.065  -2.358
  117   2HO*    U  11          2HO*        U  11   5.122  16.425  -4.402
  118    H1*    U  11           H1*        U  11   5.998  13.629  -3.204
  119    H3     U  11           H3         U  11   1.979  11.990  -2.082
  120    H5     U  11           H5         U  11   3.233  13.934   1.444
  121    H6     U  11           H6         U  11   5.197  14.703   0.243
  122   1H5*    G  12          1H5*        G  12   4.266  19.896  -2.089
  123   2H5*    G  12          2H5*        G  12   4.581  18.231  -1.559
  124    H4*    G  12           H4*        G  12   3.050  18.678  -4.113
  125    H3*    G  12           H3*        G  12   2.041  19.195  -1.296
  126    H2*    G  12           H2*        G  12   0.007  18.100  -1.827
  127   2HO*    G  12          2HO*        G  12   0.482  17.524  -4.474
  128    H1*    G  12           H1*        G  12   1.072  16.006  -3.235
  129    H8     G  12           H8         G  12   3.182  16.972  -0.216
  130    H1     G  12           H1         G  12  -1.774  13.247   1.269
  131   1H2     G  12          1H2         G  12  -3.098  13.007  -0.493
  132   2H2     G  12          2H2         G  12  -2.717  13.695  -2.055
  133   1H5*    U  13          1H5*        U  13  -0.765  22.677  -3.305
  134   2H5*    U  13          2H5*        U  13  -1.137  23.401  -1.729
  135    H4*    U  13           H4*        U  13  -3.054  22.219  -1.503
  136    H3*    U  13           H3*        U  13  -1.296  19.987  -1.823
  137    H2*    U  13           H2*        U  13  -2.022  18.945  -3.751
  138   2HO*    U  13          2HO*        U  13  -4.543  19.108  -4.016
  139    H1*    U  13           H1*        U  13  -3.806  20.672  -4.963
  140    H3     U  13           H3         U  13  -0.992  21.633  -8.319
  141    H5     U  13           H5         U  13   1.607  20.623  -5.160
  142    H6     U  13           H6         U  13  -0.330  20.421  -3.716
  143   1H5*    A  14          1H5*        A  14  -5.691  17.869  -0.106
  144   2H5*    A  14          2H5*        A  14  -5.187  16.169  -0.175
  145    H4*    A  14           H4*        A  14  -7.248  17.073  -1.609
  146    H3*    A  14           H3*        A  14  -5.175  14.964  -2.194
  147    H2*    A  14           H2*        A  14  -5.811  14.771  -4.449
  148   2HO*    A  14          2HO*        A  14  -8.176  16.262  -3.858
  149    H1*    A  14           H1*        A  14  -6.363  17.386  -5.022
  150    H8     A  14           H8         A  14  -3.272  16.827  -2.834
  151   1H6     A  14          2H6         A  14  -0.089  15.856  -7.793
  152   2H6     A  14          1H6         A  14   0.040  17.160  -6.635
  153    H2     A  14           H2         A  14  -4.455  16.596  -9.118
  154   1H5*    A  15          1H5*        A  15  -8.914  12.037  -3.474
  155   2H5*    A  15          2H5*        A  15  -7.854  10.666  -3.091
  156    H4*    A  15           H4*        A  15  -8.656  11.130  -5.585
  157    H3*    A  15           H3*        A  15  -6.098  10.041  -4.462
  158    H2*    A  15           H2*        A  15  -4.886  10.277  -6.469
  159   2HO*    A  15          2HO*        A  15  -6.830  11.113  -8.188
  160    H1*    A  15           H1*        A  15  -5.802  12.672  -7.324
  161    H8     A  15           H8         A  15  -5.454  12.261  -3.508
  162   1H6     A  15          1H6         A  15   0.107  14.796  -4.160
  163   2H6     A  15          2H6         A  15  -0.986  14.033  -3.028
  164    H2     A  15           H2         A  15  -1.565  14.030  -8.269
  165   1H5*    A  16          1H5*        A  16  -5.834   8.633  -7.933
  166   2H5*    A  16          2H5*        A  16  -5.546   6.883  -8.016
  167    H4*    A  16           H4*        A  16  -3.637   7.949  -9.012
  168    H3*    A  16           H3*        A  16  -3.184   6.903  -6.197
  169    H2*    A  16           H2*        A  16  -0.934   7.626  -6.304
  170   2HO*    A  16          2HO*        A  16  -1.284   8.126  -9.095
  171    H1*    A  16           H1*        A  16  -1.368  10.010  -7.612
  172    H8     A  16           H8         A  16  -3.887   9.149  -4.865
  173   1H6     A  16          1H6         A  16  -0.061  11.950  -0.950
  174   2H6     A  16          2H6         A  16  -1.504  10.968  -1.065
  175    H2     A  16           H2         A  16   2.011  11.633  -4.934
  176   1H5*    C  17          1H5*        C  17  -0.123   6.047  -8.781
  177   2H5*    C  17          2H5*        C  17   0.550   4.406  -8.704
  178    H4*    C  17           H4*        C  17   2.373   5.995  -8.493
  179    H3*    C  17           H3*        C  17   1.577   4.532  -5.951
  180    H2*    C  17           H2*        C  17   3.274   5.652  -4.788
  181   2HO*    C  17          2HO*        C  17   4.745   6.927  -6.557
  182    H1*    C  17           H1*        C  17   3.220   8.059  -6.237
  183   1H4     C  17          1H4         C  17   0.899   8.799  -0.313
  184   2H4     C  17          2H4         C  17  -0.698   8.852  -1.024
  185    H5     C  17           H5         C  17  -0.826   6.978  -2.808
  186    H6     C  17           H6         C  17   0.200   6.359  -4.944
  187   1H5*    C  18          1H5*        C  18   5.748   4.664  -6.868
  188   2H5*    C  18          2H5*        C  18   6.383   3.018  -7.064
  189    H4*    C  18           H4*        C  18   8.128   4.104  -5.946
  190    H3*    C  18           H3*        C  18   6.313   2.664  -3.986
  191    H2*    C  18           H2*        C  18   7.626   3.466  -2.171
  192   2HO*    C  18          2HO*        C  18   9.651   3.095  -3.476
  193    H1*    C  18           H1*        C  18   7.901   6.031  -3.012
  194   1H4     C  18          1H4         C  18   2.588   5.968   0.507
  195   2H4     C  18          2H4         C  18   1.662   5.477  -0.894
  196    H5     C  18           H5         C  18   2.738   4.436  -2.809
  197    H6     C  18           H6         C  18   4.837   4.265  -4.057
  198   1H5*    U  19          1H5*        U  19  10.039   1.314  -2.908
  199   2H5*    U  19          2H5*        U  19  10.050  -0.326  -2.227
  200    H4*    U  19           H4*        U  19  10.494   1.396  -0.497
  201    H3*    U  19           H3*        U  19   8.011  -0.333  -0.371
  202    H2*    U  19           H2*        U  19   7.286   0.771   1.592
  203   2HO*    U  19          2HO*        U  19  10.016   1.366   1.812
  204    H1*    U  19           H1*        U  19   7.980   3.329   0.904
  205    H3     U  19           H3         U  19   3.460   3.292   0.820
  206    H5     U  19           H5         U  19   4.560   1.211  -2.675
  207    H6     U  19           H6         U  19   6.867   1.307  -1.928
  208   1H5*    A  20          1H5*        A  20   9.443  -4.091   2.430
  209   2H5*    A  20          2H5*        A  20   7.690  -4.007   2.688
  210    H4*    A  20           H4*        A  20   9.883  -2.600   4.084
  211    H3*    A  20           H3*        A  20   7.040  -3.481   4.671
  212    H2*    A  20           H2*        A  20   6.822  -1.824   6.325
  213   2HO*    A  20          2HO*        A  20   9.183  -0.673   6.576
  214    H1*    A  20           H1*        A  20   8.245   0.199   5.097
  215    H8     A  20           H8         A  20   5.928  -1.596   2.691
  216   1H6     A  20          2H6         A  20   1.896   2.260   3.697
  217   2H6     A  20          1H6         A  20   1.431   0.775   4.495
  218    H2     A  20           H2         A  20   5.035   2.733   7.319
  219   1H5*    U  21          1H5*        U  21   8.269  -3.865   8.421
  220   2H5*    U  21          2H5*        U  21   8.129  -5.523   9.041
  221    H4*    U  21           H4*        U  21   6.723  -4.307  10.475
  222    H3*    U  21           H3*        U  21   5.169  -5.576   8.206
  223    H2*    U  21           H2*        U  21   3.179  -4.555   8.930
  224   2HO*    U  21          2HO*        U  21   2.835  -4.721  11.008
  225    H1*    U  21           H1*        U  21   4.246  -2.167   9.896
  226    H3     U  21           H3         U  21   1.878  -0.379   6.558
  227    H5     U  21           H5         U  21   4.269  -3.222   4.570
  228    H6     U  21           H6         U  21   5.153  -3.891   6.727
  229   1H5*    C  22          1H5*        C  22   3.209  -6.495  11.952
  230   2H5*    C  22          2H5*        C  22   2.827  -8.223  12.097
  231    H4*    C  22           H4*        C  22   0.807  -6.980  12.565
  232    H3*    C  22           H3*        C  22   0.952  -8.402   9.896
  233    H2*    C  22           H2*        C  22  -1.129  -7.565   9.242
  234   2HO*    C  22          2HO*        C  22  -2.308  -6.423  11.240
  235    H1*    C  22           H1*        C  22  -1.018  -5.058  10.591
  236   1H4     C  22          1H4         C  22   0.004  -3.574   4.494
  237   2H4     C  22          2H4         C  22   1.288  -4.753   4.361
  238    H5     C  22           H5         C  22   2.289  -5.728   6.356
  239    H6     C  22           H6         C  22   1.868  -6.354   8.687
  240   1H5*    G  23          1H5*        G  23  -2.843  -8.891  11.498
  241   2H5*    G  23          2H5*        G  23  -3.500 -10.526  11.285
  242    H4*    G  23           H4*        G  23  -4.987  -8.840  10.273
  243    H3*    G  23           H3*        G  23  -3.522 -10.765   8.427
  244    H2*    G  23           H2*        G  23  -4.605  -9.785   6.586
  245   2HO*    G  23          2HO*        G  23  -6.632  -9.157   6.714
  246    H1*    G  23           H1*        G  23  -4.743  -7.164   7.576
  247    H8     G  23           H8         G  23  -1.374  -8.990   7.614
  248    H1     G  23           H1         G  23  -2.645  -6.007   2.125
  249   1H2     G  23          1H2         G  23  -4.666  -5.039   2.265
  250   2H2     G  23          2H2         G  23  -5.844  -5.636   3.413
  251   1H5*    C  24          1H5*        C  24  -7.962 -10.561   7.725
  252   2H5*    C  24          2H5*        C  24  -8.538 -12.240   7.774
  253    H4*    C  24           H4*        C  24  -9.670 -11.329   5.921
  254    H3*    C  24           H3*        C  24  -7.157 -12.804   5.073
  255    H2*    C  24           H2*        C  24  -7.567 -12.232   2.819
  256   2HO*    C  24          2HO*        C  24 -10.211 -11.903   3.748
  257    H1*    C  24           H1*        C  24  -8.484  -9.669   3.211
  258   1H4     C  24          1H4         C  24  -2.352  -9.218   1.586
  259   2H4     C  24          2H4         C  24  -1.867  -9.600   3.224
  260    H5     C  24           H5         C  24  -3.399 -10.697   4.765
  261    H6     C  24           H6         C  24  -5.767 -11.072   5.289
  262   1H5*    U  25          1H5*        U  25 -10.388 -13.510   2.484
  263   2H5*    U  25          2H5*        U  25 -10.718 -15.243   2.289
  264    H4*    U  25           H4*        U  25 -10.736 -14.323   0.086
  265    H3*    U  25           H3*        U  25  -8.196 -15.814   0.800
  266    H2*    U  25           H2*        U  25  -7.263 -15.306  -1.303
  267   2HO*    U  25          2HO*        U  25  -9.046 -14.128  -2.771
  268    H1*    U  25           H1*        U  25  -8.264 -12.749  -1.605
  269    H3     U  25           H3         U  25  -3.889 -11.841  -1.173
  270    H5     U  25           H5         U  25  -4.885 -13.568   2.544
  271    H6     U  25           H6         U  25  -7.105 -14.000   1.672
  272   1H5*    C  26          1H5*        C  26  -9.772 -16.870  -3.115
  273   2H5*    C  26          2H5*        C  26  -9.644 -18.610  -3.440
  274    H4*    C  26           H4*        C  26  -8.656 -17.302  -5.278
  275    H3*    C  26           H3*        C  26  -6.836 -18.995  -3.534
  276    H2*    C  26           H2*        C  26  -4.972 -18.332  -4.826
  277   2HO*    C  26          2HO*        C  26  -6.884 -17.406  -6.742
  278    H1*    C  26           H1*        C  26  -5.696 -15.700  -5.232
  279   1H4     C  26          1H4         C  26  -1.591 -15.498  -0.400
  280   2H4     C  26          2H4         C  26  -2.623 -16.500   0.594
  281    H5     C  26           H5         C  26  -4.889 -17.051  -0.064
  282    H6     C  26           H6         C  26  -6.432 -17.221  -1.960
  283   1H5*    C  27          1H5*        C  27  -6.340 -19.333  -7.708
  284   2H5*    C  27          2H5*        C  27  -6.275 -20.988  -8.347
  285    H4*    C  27           H4*        C  27  -4.520 -19.684  -9.379
  286    H3*    C  27           H3*        C  27  -3.678 -21.745  -7.354
  287    H2*    C  27           H2*        C  27  -1.405 -21.200  -7.660
  288   2HO*    C  27          2HO*        C  27  -1.800 -20.903 -10.066
  289    H1*    C  27           H1*        C  27  -1.680 -18.512  -7.577
  290   1H4     C  27          1H4         C  27  -1.012 -20.336  -1.509
  291   2H4     C  27          2H4         C  27  -2.664 -20.909  -1.474
  292    H5     C  27           H5         C  27  -4.107 -20.899  -3.419
  293    H6     C  27           H6         C  27  -4.273 -20.341  -5.773
  294    H3T    C  27           H3T        C  27  -4.368 -21.709  -9.908