*HEADER    RNA                                     10-NOV-03   1RFR              
*TITLE     NMR STRUCTURE OF THE 30MER STEMLOOP-D OF COXSACKIEVIRAL RNA           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STEMLOOP-D RNA OF THE 5'-CLOVERLEAF OF                     
*COMPND   3 COXSACKIEVIRUS B3;                                                   
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: PROTEINASE 3C BINDING DOMAIN                          
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: COXSACKIEVIRUS B3;                              
*SOURCE   3 ORGANISM_COMMON: VIRUS;                                              
*SOURCE   4 GENE: 5'-NONTRANSLATED REGION;                                       
*SOURCE   5 EXPRESSION_SYSTEM: IN VITRO;                                         
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PUC-19;                                   
*SOURCE   8 OTHER_DETAILS: TWO NUCLEOTIDES (GG) AT 5'-END AND TWO                
*SOURCE   9 NUCLEOTIDES (UC) AT THE 3'-END WERE ADDED FOR IN VITRO               
*SOURCE  10 PRODUCTION                                                           
*KEYWDS    LOOP WITH CONFORMATION SIMILAR TO STABLE UNCG-TETRALOOPS              
*KEYWDS   2 AND U:G CLOSING BASE PAIR, BASE-PAIRED U:U-C:U-U:U MISMATCH,         
*KEYWDS   3 A-FORM HELIX STEMS                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    O.OHLENSCHLAGER, J.WOHNERT, E.BUCCI, S.SEITZ, S.HAFNER,               
*AUTHOR   2 R.RAMACHANDRAN, R.ZELL, M.GORLACH                                    
*REVDAT   1   16-NOV-04 1RFR    0                                                


  1 RGUA5H1      2 RGUA H1      5.80 
  1 RGUA5H1      2 RGUA H1'     5.80 
  1 RGUA5H1      2 RGUA H8      5.80 
  1 RGUA5H1      2 RGUA Q2      6.67 
  1 RGUA5H1     29 URA  H3      5.80 
  1 RGUA5H1     30 RCYT3H1'     5.80 
  1 RGUA5H1     30 RCYT3H2'     5.80 
  1 RGUA5H2'     1 RGUA5H1'     2.80 
  1 RGUA5H3'     1 RGUA5H1'     3.80 
  1 RGUA5H1'     1 RGUA5H8      3.80 
  1 RGUA5H1'     2 RGUA H4'     5.80 
  1 RGUA5H1'     2 RGUA H8      5.80 
  1 RGUA5H3'     1 RGUA5H2'     2.80 
  1 RGUA5H2'     2 RGUA H8      2.80 
  1 RGUA5H4'     1 RGUA5H1'     3.80 
  1 RGUA5H4'     1 RGUA5H2'     3.80 
  1 RGUA5H4'     1 RGUA5H8      5.80 
  1 RGUA5H4'     2 RGUA H8      5.80 
  1 RGUA5H5"     1 RGUA5H1'     5.80 
  1 RGUA5H5"     1 RGUA5H3'     3.80 
  1 RGUA5H5"     1 RGUA5H4'     2.80 
  1 RGUA5H5"     1 RGUA5H8      5.80 
  1 RGUA5H5'     1 RGUA5H1'     5.80 
  1 RGUA5H5'     1 RGUA5H3'     3.80 
  1 RGUA5H5'     1 RGUA5H4'     2.80 
  1 RGUA5H5'     1 RGUA5H8      5.80 
  1 RGUA5H2'     1 RGUA5H8      5.80 
  1 RGUA5H3'     1 RGUA5H8      3.80 
  2 RGUA H1      3 RCYT H1'     5.80 
  2 RGUA H1      3 RCYT H2'     5.80 
  2 RGUA H1      3 RCYT H41     5.80 
  2 RGUA H1      3 RCYT H42     5.80 
  2 RGUA H1      3 RCYT H6      5.80 
  2 RGUA H1     28 RGUA H1      3.80 
  2 RGUA H1     28 RGUA Q2      6.67 
  2 RGUA H1     29 URA  H1'     5.80 
  2 RGUA H1     29 URA  H3      2.80 
  2 RGUA H1     29 URA  H5      5.80 
  2 RGUA H1     29 URA  H6      5.80 
  2 RGUA H1     30 RCYT3H1'     5.80 
  2 RGUA H1     30 RCYT3H5      5.80 
  2 RGUA H1     30 RCYT3H6      5.80 
  2 RGUA H1     30 RCYT3Q4      6.67 
  2 RGUA H2'     2 RGUA H1'     2.80 
  2 RGUA H3'     2 RGUA H1'     3.80 
  2 RGUA H1'     2 RGUA H8      3.80 
  2 RGUA H1'     3 RCYT H6      5.80 
  2 RGUA H3'     2 RGUA H2'     2.80 
  2 RGUA H2'     3 RCYT H1'     5.80 
  2 RGUA H2'     3 RCYT H4'     5.80 
  2 RGUA H2'     3 RCYT H6      5.80 
  2 RGUA H3'     3 RCYT H1'     5.80 
  2 RGUA H3'     3 RCYT H6      5.80 
  2 RGUA H4'     2 RGUA H1'     3.80 
  2 RGUA H4'     2 RGUA H8      5.80 
  2 RGUA H4'     3 RCYT H4'     5.80 
  2 RGUA H4'     3 RCYT H6      5.80 
  2 RGUA H5"     2 RGUA H4'     2.80 
  2 RGUA H5"     2 RGUA H8      5.80 
  2 RGUA H5'     2 RGUA H4'     2.80 
  2 RGUA H5'     2 RGUA H8      5.80 
  2 RGUA H2'     2 RGUA H8      5.80 
  2 RGUA H3'     2 RGUA H8      3.80 
  2 RGUA H8      3 RCYT H6      5.80 
  2 RGUA Q2      3 RCYT H1'     4.17 
  2 RGUA Q2     28 RGUA H1      6.67 
  3 RCYT H3'     3 RCYT H1'     3.80 
  3 RCYT H1'     4 RADE H8      5.80 
  3 RCYT H1'    28 RGUA H1      5.80 
  3 RCYT H1'    28 RGUA H21     5.80 
  3 RCYT H1'    28 RGUA H22     5.80 
  3 RCYT H3'     3 RCYT H2'     2.80 
  3 RCYT H2'     4 RADE H1'     5.80 
  3 RCYT H2'     4 RADE H2'     5.80 
  3 RCYT H2'     4 RADE H3'     5.80 
  3 RCYT H2'     4 RADE H4'     5.80 
  3 RCYT H2'     4 RADE H8      3.80 
  3 RCYT H2'    28 RGUA H1      5.80 
  3 RCYT H2'    28 RGUA Q2      6.67 
  3 RCYT H3'     4 RADE H1'     5.80 
  3 RCYT H3'     4 RADE H3'     5.80 
  3 RCYT H3'     4 RADE H4'     5.80 
  3 RCYT H3'     4 RADE H8      5.80 
  3 RCYT H4'     3 RCYT H1'     3.80 
  3 RCYT H4'     3 RCYT H2'     3.80 
  3 RCYT H4'     3 RCYT H6      5.80 
  3 RCYT H41     4 RADE Q6      6.67 
  3 RCYT H41    27 URA  H3      5.80 
  3 RCYT H41    28 RGUA H1      5.80 
  3 RCYT H41    28 RGUA Q2      6.67 
  3 RCYT H41    29 URA  H3      5.80 
  3 RCYT H42     4 RADE Q6      6.67 
  3 RCYT H42    27 URA  H3      5.80 
  3 RCYT H42    28 RGUA H1      5.80 
  3 RCYT H42    28 RGUA Q2      6.67 
  3 RCYT H42    29 URA  H3      5.80 
  3 RCYT H3'     3 RCYT H5      5.80 
  3 RCYT H5      4 RADE H8      5.80 
  3 RCYT H5      4 RADE Q6      6.67 
  3 RCYT H5"     3 RCYT H3'     3.80 
  3 RCYT H5"     3 RCYT H6      5.80 
  3 RCYT H5'     3 RCYT H3'     3.80 
  3 RCYT H5'     3 RCYT H6      5.80 
  3 RCYT H2'     3 RCYT H6      5.80 
  3 RCYT H3'     3 RCYT H6      2.80 
  3 RCYT H6      4 RADE H8      5.80 
  3 RCYT H6     28 RGUA H1      5.80 
  3 RCYT Q4     27 URA  H3      6.67 
  3 RCYT Q4     28 RGUA H1      6.67 
  4 RADE H1'     4 RADE H2      5.80 
  4 RADE H3'     4 RADE H1'     3.80 
  4 RADE H1'     4 RADE H8      3.80 
  4 RADE H1'     5 RCYT H1'     5.80 
  4 RADE H1'     5 RCYT H5      5.80 
  4 RADE H1'     5 RCYT H6      5.80 
  4 RADE H1'    28 RGUA H1      5.80 
  4 RADE H1'    28 RGUA Q2      6.67 
  4 RADE H2      5 RCYT H1'     3.80 
  4 RADE H2      5 RCYT H6      5.80 
  4 RADE H2     26 RGUA H1      5.80 
  4 RADE H2     26 RGUA Q2      6.67 
  4 RADE H2     27 URA  H3      3.80 
  4 RADE H2     28 RGUA H1      5.80 
  4 RADE H2     28 RGUA H1'     3.80 
  4 RADE H2     28 RGUA Q2      6.67 
  4 RADE H3'     4 RADE H2'     2.80 
  4 RADE H2'     5 RCYT H1'     3.80 
  4 RADE H2'     5 RCYT H2'     5.80 
  4 RADE H2'     5 RCYT H3'     5.80 
  4 RADE H2'     5 RCYT H4'     5.80 
  4 RADE H2'     5 RCYT H5      5.80 
  4 RADE H2'     5 RCYT H5"     5.80 
  4 RADE H2'     5 RCYT H5'     5.80 
  4 RADE H2'     5 RCYT H6      2.80 
  4 RADE H3'     5 RCYT H1'     5.80 
  4 RADE H3'     5 RCYT H5      5.80 
  4 RADE H3'     5 RCYT H5"     5.80 
  4 RADE H3'     5 RCYT H5'     5.80 
  4 RADE H3'     5 RCYT H6      3.80 
  4 RADE H4'     4 RADE H8      5.80 
  4 RADE H4'     5 RCYT H6      5.80 
  4 RADE H61    26 RGUA H1      5.80 
  4 RADE H61    27 URA  H3      5.80 
  4 RADE H61    28 RGUA H1      5.80 
  4 RADE H62    26 RGUA H1      5.80 
  4 RADE H62    27 URA  H3      5.80 
  4 RADE H62    28 RGUA H1      5.80 
  4 RADE H2'     4 RADE H8      5.80 
  4 RADE H3'     4 RADE H8      3.80 
  4 RADE H8      5 RCYT H5      5.80 
  4 RADE H8      5 RCYT H6      5.80 
  4 RADE H8     28 RGUA Q2      6.67 
  4 RADE Q6      5 RCYT H5      6.67 
  4 RADE Q6     26 RGUA H1      6.67 
  4 RADE Q6     27 URA  H3      6.67 
  4 RADE Q6     28 RGUA H1      6.67 
  5 RCYT H2'     5 RCYT H1'     2.80 
  5 RCYT H3'     5 RCYT H1'     3.80 
  5 RCYT H1'     6 URA  H6      5.80 
  5 RCYT H1'    26 RGUA H1      5.80 
  5 RCYT H1'    26 RGUA Q2      6.67 
  5 RCYT H1'    27 URA  H3      5.80 
  5 RCYT H3'     5 RCYT H2'     2.80 
  5 RCYT H2'     6 URA  H3'     5.80 
  5 RCYT H2'     6 URA  H4'     5.80 
  5 RCYT H2'     6 URA  H5      5.80 
  5 RCYT H2'     6 URA  H6      2.80 
  5 RCYT H2'    26 RGUA H1      5.80 
  5 RCYT H2'    26 RGUA Q2      6.67 
  5 RCYT H3'     6 URA  H4'     5.80 
  5 RCYT H3'     6 URA  H5      3.80 
  5 RCYT H3'     6 URA  H5"     5.80 
  5 RCYT H3'     6 URA  H5'     5.80 
  5 RCYT H3'     6 URA  H6      2.80 
  5 RCYT H4'     5 RCYT H1'     3.80 
  5 RCYT H4'     5 RCYT H2'     3.80 
  5 RCYT H4'     5 RCYT H6      5.80 
  5 RCYT H4'     6 URA  H6      5.80 
  5 RCYT H41     6 URA  H3      5.80 
  5 RCYT H41    25 URA  H3      5.80 
  5 RCYT H41    26 RGUA H1      5.80 
  5 RCYT H41    27 URA  H3      5.80 
  5 RCYT H42     6 URA  H3      5.80 
  5 RCYT H42    25 URA  H3      5.80 
  5 RCYT H42    26 RGUA H1      5.80 
  5 RCYT H42    27 URA  H3      5.80 
  5 RCYT H2'     5 RCYT H5      5.80 
  5 RCYT H3'     5 RCYT H5      5.80 
  5 RCYT H5      6 URA  H5      5.80 
  5 RCYT H5"     5 RCYT H2'     5.80 
  5 RCYT H5'     5 RCYT H2'     5.80 
  5 RCYT H2'     5 RCYT H6      5.80 
  5 RCYT H3'     5 RCYT H6      3.80 
  5 RCYT H6      6 URA  H5      5.80 
  5 RCYT H6      6 URA  H6      5.80 
  5 RCYT Q4      6 URA  H3      6.67 
  5 RCYT Q4      6 URA  H5      6.67 
  5 RCYT Q4     26 RGUA H1      6.67 
  5 RCYT Q4     27 URA  H3      6.67 
  6 URA  H1'     7 RCYT H6      5.80 
  6 URA  H1'    26 RGUA H1      5.80 
  6 URA  H1'    26 RGUA Q2      4.17 
  6 URA  H2'     7 RCYT H1'     3.80 
  6 URA  H2'     7 RCYT H6      3.80 
  6 URA  H2'     6 URA  H3      5.80 
  6 URA  H3'     6 URA  H3      5.80 
  6 URA  H3      7 RCYT H1'     5.80 
  6 URA  H3      7 RCYT H5      5.80 
  6 URA  H3      7 RCYT H6      5.80 
  6 URA  H3     25 URA  H3      3.30 
  6 URA  H3     26 RGUA H1      5.80 
  6 URA  H3     26 RGUA Q2      6.67 
  6 URA  H3'     7 RCYT H1'     5.80 
  6 URA  H3'     7 RCYT H4'     5.80 
  6 URA  H3'     7 RCYT H6      3.80 
  6 URA  H4'     6 URA  H6      5.80 
  6 URA  H4'    26 RGUA Q2      6.67 
  6 URA  H3'     6 URA  H5      5.80 
  6 URA  H5      7 RCYT H5      3.80 
  6 URA  H5      7 RCYT H6      5.80 
  6 URA  H5      7 RCYT Q4      6.67 
  6 URA  H5     26 RGUA H1      5.80 
  6 URA  H5"     7 RCYT H5      5.80 
  6 URA  H5'     7 RCYT H5      5.80 
  6 URA  H2'     6 URA  H6      5.80 
  6 URA  H3'     6 URA  H6      5.80 
  6 URA  H6      7 RCYT H6      5.80 
  7 RCYT H3'     7 RCYT H1'     3.80 
  7 RCYT H1'     8 URA  H5      5.80 
  7 RCYT H1'     8 URA  H6      5.80 
  7 RCYT H1'    25 URA  H1'     5.80 
  7 RCYT H3'     7 RCYT H2'     2.80 
  7 RCYT H2'     8 URA  H1'     5.80 
  7 RCYT H2'     8 URA  H4'     5.80 
  7 RCYT H2'     8 URA  H5      2.80 
  7 RCYT H2'     8 URA  H6      2.80 
  7 RCYT H3'     8 URA  H5      5.80 
  7 RCYT H3'     8 URA  H6      5.80 
  7 RCYT H4'     7 RCYT H1'     2.80 
  7 RCYT H4'     7 RCYT H2'     3.80 
  7 RCYT H4'     7 RCYT H6      5.80 
  7 RCYT H4'     8 URA  H6      5.80 
  7 RCYT H2'     7 RCYT H5      5.80 
  7 RCYT H5      8 URA  H5      5.80 
  7 RCYT H5     25 URA  H3      5.80 
  7 RCYT H5"     7 RCYT H4'     2.80 
  7 RCYT H5"     7 RCYT H6      5.80 
  7 RCYT H5'     7 RCYT H4'     2.80 
  7 RCYT H5'     7 RCYT H6      5.80 
  7 RCYT H2'     7 RCYT H6      3.80 
  7 RCYT H3'     7 RCYT H6      3.80 
  7 RCYT H6      8 URA  H5      5.80 
  7 RCYT H6     25 URA  H3      5.80 
  7 RCYT Q4     25 URA  H5      6.67 
  8 URA  H2'     8 URA  H1'     2.80 
  8 URA  H1'     9 RGUA H8      5.80 
  8 URA  H3'     8 URA  H2'     2.80 
  8 URA  H2'     9 RGUA H1'     5.80 
  8 URA  H2'     9 RGUA H3'     5.80 
  8 URA  H2'     9 RGUA H8      3.80 
  8 URA  H2'     8 URA  H3      5.80 
  8 URA  H3      9 RGUA H1      5.80 
  8 URA  H3      9 RGUA H1'     5.80 
  8 URA  H3      9 RGUA H21     5.80 
  8 URA  H3      9 RGUA H22     5.80 
  8 URA  H3     22 RCYT H41     5.80 
  8 URA  H3     22 RCYT H42     5.80 
  8 URA  H3     22 RCYT Q4      6.67 
  8 URA  H3     23 URA  H1'     5.80 
  8 URA  H3     23 URA  H2'     5.80 
  8 URA  H3     23 URA  H3      3.30 
  8 URA  H3     24 URA  H1'     3.30 
  8 URA  H3     24 URA  H6      5.80 
  8 URA  H3'     9 RGUA H8      3.80 
  8 URA  H5     23 URA  H3      5.80 
  8 URA  H2'     8 URA  H6      3.80 
  8 URA  H3'     8 URA  H6      2.80 
  9 RGUA H1     10 RGUA H1      5.80 
  9 RGUA H1     10 RGUA H1'     5.80 
  9 RGUA H1     10 RGUA H8      5.80 
  9 RGUA H1     21 RCYT H41     5.80 
  9 RGUA H1     21 RCYT H42     5.80 
  9 RGUA H1     21 RCYT Q4      6.67 
  9 RGUA H1     22 RCYT H1'     5.80 
  9 RGUA H1     22 RCYT H2'     5.80 
  9 RGUA H1     22 RCYT H41     5.80 
  9 RGUA H1     22 RCYT H42     5.80 
  9 RGUA H1     22 RCYT H5      5.80 
  9 RGUA H1     22 RCYT H6      5.80 
  9 RGUA H1     22 RCYT Q4      6.67 
  9 RGUA H1     23 URA  H1'     5.80 
  9 RGUA H1     23 URA  H2'     5.80 
  9 RGUA H1     23 URA  H3      5.80 
  9 RGUA H2'     9 RGUA H1'     2.80 
  9 RGUA H3'     9 RGUA H1'     3.80 
  9 RGUA H1'    10 RGUA H8      5.80 
  9 RGUA H3'     9 RGUA H2'     2.80 
  9 RGUA H2'    10 RGUA H1'     5.80 
  9 RGUA H2'    10 RGUA H5"     5.80 
  9 RGUA H2'    10 RGUA H5'     5.80 
  9 RGUA H2'    10 RGUA H8      2.80 
  9 RGUA H21    23 URA  H3      5.80 
  9 RGUA H22    23 URA  H3      5.80 
  9 RGUA H3'    10 RGUA H5"     5.80 
  9 RGUA H3'    10 RGUA H5'     5.80 
  9 RGUA H3'    10 RGUA H8      5.80 
  9 RGUA H4'     9 RGUA H1'     3.80 
  9 RGUA H4'     9 RGUA H2'     3.80 
  9 RGUA H4'     9 RGUA H8      5.80 
  9 RGUA H5"     9 RGUA H4'     2.80 
  9 RGUA H5"     9 RGUA H8      5.80 
  9 RGUA H5'     9 RGUA H4'     2.80 
  9 RGUA H5'     9 RGUA H8      5.80 
  9 RGUA H2'     9 RGUA H8      5.80 
  9 RGUA H3'     9 RGUA H8      2.80 
  9 RGUA Q2     10 RGUA H1      6.67 
  9 RGUA Q2     10 RGUA H1'     6.67 
  9 RGUA Q2     10 RGUA H8      6.67 
  9 RGUA Q2     22 RCYT H1'     6.67 
  9 RGUA Q2     23 URA  H2'     6.67 
  9 RGUA Q2     23 URA  H3      6.67 
  9 RGUA Q2     23 URA  H6      6.67 
 10 RGUA H1     11 URA  H1'     5.80 
 10 RGUA H1     11 URA  H3      5.80 
 10 RGUA H1     11 URA  H5      5.80 
 10 RGUA H1     20 RADE H2      5.80 
 10 RGUA H1     20 RADE H61     5.80 
 10 RGUA H1     20 RADE H62     5.80 
 10 RGUA H1     20 RADE Q6      6.67 
 10 RGUA H1     21 RCYT H1'     5.80 
 10 RGUA H1     21 RCYT H2'     5.80 
 10 RGUA H1     21 RCYT H41     5.80 
 10 RGUA H1     21 RCYT H42     5.80 
 10 RGUA H1     21 RCYT H5      5.80 
 10 RGUA H1     21 RCYT H6      5.80 
 10 RGUA H1     21 RCYT Q4      6.67 
 10 RGUA H1     22 RCYT H1'     5.80 
 10 RGUA H1     22 RCYT H41     5.80 
 10 RGUA H1     22 RCYT H42     5.80 
 10 RGUA H1     22 RCYT H5      5.80 
 10 RGUA H1     22 RCYT H6      5.80 
 10 RGUA H1     22 RCYT Q4      6.67 
 10 RGUA H2'    10 RGUA H1'     2.80 
 10 RGUA H3'    10 RGUA H1'     3.80 
 10 RGUA H1'    11 URA  H1'     5.80 
 10 RGUA H1'    11 URA  H5      5.80 
 10 RGUA H1'    11 URA  H6      5.80 
 10 RGUA H3'    10 RGUA H2'     2.80 
 10 RGUA H2'    11 URA  H1'     5.80 
 10 RGUA H2'    11 URA  H3'     5.80 
 10 RGUA H2'    11 URA  H5      3.80 
 10 RGUA H2'    11 URA  H6      2.80 
 10 RGUA H21    11 URA  H3      5.80 
 10 RGUA H21    22 RCYT H1'     3.80 
 10 RGUA H22    11 URA  H3      5.80 
 10 RGUA H22    22 RCYT H1'     3.80 
 10 RGUA H3'    11 URA  H3'     5.80 
 10 RGUA H3'    11 URA  H5      3.80 
 10 RGUA H3'    11 URA  H6      3.80 
 10 RGUA H4'    10 RGUA H1'     3.80 
 10 RGUA H4'    10 RGUA H2'     3.80 
 10 RGUA H4'    10 RGUA H8      5.80 
 10 RGUA H5"    10 RGUA H1'     5.80 
 10 RGUA H5"    10 RGUA H4'     2.80 
 10 RGUA H5"    10 RGUA H8      5.80 
 10 RGUA H5'    10 RGUA H1'     5.80 
 10 RGUA H5'    10 RGUA H4'     2.80 
 10 RGUA H5'    10 RGUA H8      5.80 
 10 RGUA H2'    10 RGUA H8      5.80 
 10 RGUA H3'    10 RGUA H8      3.80 
 10 RGUA H8     11 URA  H6      5.80 
 11 URA  H1'    12 RADE H1'     5.80 
 11 URA  H1'    12 RADE H8      5.80 
 11 URA  H2'    12 RADE H1'     5.80 
 11 URA  H2'    12 RADE H8      2.80 
 11 URA  H3     12 RADE H1'     5.80 
 11 URA  H3     12 RADE H2      5.80 
 11 URA  H3     12 RADE H61     5.80 
 11 URA  H3     12 RADE H62     5.80 
 11 URA  H3     19 URA  H3      5.80 
 11 URA  H3     20 RADE H2      3.80 
 11 URA  H3     21 RCYT Q4      6.67 
 11 URA  H3'    12 RADE H8      3.80 
 11 URA  H4'    11 URA  H1'     3.80 
 11 URA  H4'    12 RADE H1'     5.80 
 11 URA  H4'    12 RADE H8      5.80 
 11 URA  H3'    11 URA  H5      5.80 
 11 URA  H5     12 RADE H8      5.80 
 11 URA  H3'    11 URA  H6      2.80 
 11 URA  H6     12 RADE H8      5.80 
 12 RADE H1'    12 RADE H2      5.80 
 12 RADE H2'    12 RADE H1'     2.80 
 12 RADE H3'    12 RADE H1'     3.80 
 12 RADE H1'    13 URA  H1'     5.80 
 12 RADE H1'    13 URA  H5      5.80 
 12 RADE H1'    13 URA  H6      5.80 
 12 RADE H1'    20 RADE H2      5.80 
 12 RADE H2     13 URA  H1'     5.80 
 12 RADE H2     13 URA  H2'     5.80 
 12 RADE H2     18 RGUA Q2      6.67 
 12 RADE H2     19 URA  H3      3.80 
 12 RADE H2     20 RADE H1'     5.80 
 12 RADE H3'    12 RADE H2'     2.80 
 12 RADE H2'    13 URA  H1'     5.80 
 12 RADE H2'    13 URA  H3'     5.80 
 12 RADE H2'    13 URA  H5      3.80 
 12 RADE H2'    13 URA  H6      2.80 
 12 RADE H2'    20 RADE H2      5.80 
 12 RADE H3'    13 URA  H1'     5.80 
 12 RADE H3'    13 URA  H5      5.80 
 12 RADE H3'    13 URA  H6      3.80 
 12 RADE H4'    12 RADE H8      5.80 
 12 RADE H4'    13 URA  H5      5.80 
 12 RADE H4'    13 URA  H6      5.80 
 12 RADE H5"    12 RADE H2'     5.80 
 12 RADE H5'    12 RADE H2'     5.80 
 12 RADE H61    13 URA  H3      5.80 
 12 RADE H61    18 RGUA H1      5.80 
 12 RADE H61    19 URA  H3      5.80 
 12 RADE H62    13 URA  H3      5.80 
 12 RADE H62    18 RGUA H1      5.80 
 12 RADE H62    19 URA  H3      5.80 
 12 RADE H2'    12 RADE H8      3.80 
 12 RADE H3'    12 RADE H8      2.80 
 12 RADE H8     13 URA  H5      5.80 
 12 RADE H8     13 URA  H6      5.80 
 12 RADE Q6     18 RGUA H1      6.67 
 12 RADE Q6     19 URA  H3      4.17 
 12 RADE Q6     19 URA  H5      6.67 
 13 URA  H2'    13 URA  H1'     2.80 
 13 URA  H3'    13 URA  H1'     3.80 
 13 URA  H1'    14 RCYT H6      5.80 
 13 URA  H1'    18 RGUA H1      5.80 
 13 URA  H3'    13 URA  H2'     2.80 
 13 URA  H2'    14 RCYT H1'     3.80 
 13 URA  H2'    14 RCYT H5      3.80 
 13 URA  H2'    14 RCYT H5"     5.80 
 13 URA  H2'    14 RCYT H5'     5.80 
 13 URA  H2'    14 RCYT H6      2.80 
 13 URA  H2'    18 RGUA H1      5.80 
 13 URA  H2'    18 RGUA Q2      6.67 
 13 URA  H3     14 RCYT H1'     5.80 
 13 URA  H3     14 RCYT H5      5.80 
 13 URA  H3     14 RCYT H6      5.80 
 13 URA  H3     14 RCYT Q4      6.67 
 13 URA  H3     17 RGUA H1      5.80 
 13 URA  H3     18 RGUA H1      2.80 
 13 URA  H3     18 RGUA Q2      6.67 
 13 URA  H3     19 URA  H3      5.80 
 13 URA  H3'    14 RCYT H1'     5.80 
 13 URA  H3'    14 RCYT H3'     5.80 
 13 URA  H3'    14 RCYT H5      3.80 
 13 URA  H3'    14 RCYT H5"     5.80 
 13 URA  H3'    14 RCYT H5'     5.80 
 13 URA  H3'    14 RCYT H6      2.80 
 13 URA  H4'    13 URA  H6      5.80 
 13 URA  H4'    14 RCYT H6      5.80 
 13 URA  H5     14 RCYT H5      5.80 
 13 URA  H5     14 RCYT Q4      6.67 
 13 URA  H2'    13 URA  H6      3.80 
 13 URA  H3'    13 URA  H6      2.80 
 13 URA  H6     14 RCYT H5      5.80 
 13 URA  H6     14 RCYT H6      5.80 
 13 URA  H6     14 RCYT Q4      6.67 
 13 URA  H6     18 RGUA H1      5.80 
 14 RCYT H2'    14 RCYT H1'     2.80 
 14 RCYT H3'    14 RCYT H1'     3.80 
 14 RCYT H1'    15 RADE H2'     5.80 
 14 RCYT H1'    15 RADE H3'     5.80 
 14 RCYT H1'    15 RADE H8      5.80 
 14 RCYT H1'    16 RCYT H5      5.80 
 14 RCYT H1'    17 RGUA H1      3.80 
 14 RCYT H1'    18 RGUA H1      3.80 
 14 RCYT H3'    14 RCYT H2'     2.80 
 14 RCYT H2'    15 RADE H1'     5.80 
 14 RCYT H2'    15 RADE H2'     5.80 
 14 RCYT H2'    15 RADE H3'     5.80 
 14 RCYT H2'    15 RADE H4'     5.80 
 14 RCYT H2'    15 RADE H5"     3.80 
 14 RCYT H2'    15 RADE H5'     3.80 
 14 RCYT H2'    15 RADE H8      3.80 
 14 RCYT H2'    16 RCYT H5      2.80 
 14 RCYT H2'    16 RCYT H6      3.80 
 14 RCYT H2'    16 RCYT Q4      6.67 
 14 RCYT H2'    17 RGUA H1      3.30 
 14 RCYT H2'    18 RGUA H1      5.80 
 14 RCYT H3'    15 RADE H2'     5.80 
 14 RCYT H3'    15 RADE H3'     5.80 
 14 RCYT H3'    15 RADE H5"     3.80 
 14 RCYT H3'    15 RADE H5'     3.80 
 14 RCYT H3'    15 RADE H8      5.80 
 14 RCYT H3'    16 RCYT H5      3.80 
 14 RCYT H3'    16 RCYT Q4      6.67 
 14 RCYT H3'    17 RGUA H1      5.80 
 14 RCYT H4'    14 RCYT H1'     3.80 
 14 RCYT H4'    14 RCYT H2'     3.80 
 14 RCYT H4'    14 RCYT H6      5.80 
 14 RCYT H4'    15 RADE H5"     5.80 
 14 RCYT H4'    15 RADE H5'     5.80 
 14 RCYT H4'    15 RADE H8      5.80 
 14 RCYT H3'    14 RCYT H5      5.80 
 14 RCYT H5     18 RGUA H1      5.80 
 14 RCYT H5"    14 RCYT H1'     5.80 
 14 RCYT H5"    14 RCYT H4'     2.80 
 14 RCYT H5"    14 RCYT H6      5.80 
 14 RCYT H5'    14 RCYT H1'     5.80 
 14 RCYT H5'    14 RCYT H4'     2.80 
 14 RCYT H5'    14 RCYT H6      5.80 
 14 RCYT H2'    14 RCYT H6      3.80 
 14 RCYT H3'    14 RCYT H6      2.80 
 14 RCYT H6     16 RCYT H5      5.80 
 14 RCYT H6     16 RCYT Q4      6.67 
 14 RCYT H6     17 RGUA H1      5.80 
 14 RCYT H6     18 RGUA H1      5.80 
 14 RCYT Q4     17 RGUA H1      6.67 
 14 RCYT Q4     18 RGUA H1      6.67 
 15 RADE H1'    15 RADE H8      3.80 
 15 RADE H1'    16 RCYT H5      5.80 
 15 RADE H1'    16 RCYT H6      5.80 
 15 RADE H2'    16 RCYT H5      3.80 
 15 RADE H2'    16 RCYT H5"     5.80 
 15 RADE H2'    16 RCYT H5'     5.80 
 15 RADE H2'    16 RCYT H6      3.80 
 15 RADE H2'    17 RGUA H1      5.80 
 15 RADE H2'    17 RGUA H8      5.80 
 15 RADE H3'    16 RCYT H1'     5.80 
 15 RADE H3'    16 RCYT H2'     5.80 
 15 RADE H3'    16 RCYT H3'     5.80 
 15 RADE H3'    16 RCYT H4'     5.80 
 15 RADE H3'    16 RCYT H5      5.80 
 15 RADE H3'    16 RCYT H6      2.80 
 15 RADE H3'    16 RCYT Q4      6.67 
 15 RADE H3'    17 RGUA H1      5.80 
 15 RADE H4'    15 RADE H1'     5.80 
 15 RADE H4'    15 RADE H2'     3.80 
 15 RADE H4'    15 RADE H8      5.80 
 15 RADE H4'    16 RCYT H5      3.80 
 15 RADE H4'    16 RCYT H6      5.80 
 15 RADE H5"    15 RADE H1'     5.80 
 15 RADE H5"    15 RADE H2'     3.80 
 15 RADE H5'    15 RADE H1'     5.80 
 15 RADE H5'    15 RADE H2'     3.80 
 15 RADE H2'    15 RADE H8      2.80 
 15 RADE H3'    15 RADE H8      5.80 
 15 RADE H8     17 RGUA H1      5.80 
 16 RCYT H3'    16 RCYT H1'     3.80 
 16 RCYT H1'    17 RGUA H1      5.80 
 16 RCYT H3'    16 RCYT H2'     2.80 
 16 RCYT H4'    16 RCYT H1'     3.80 
 16 RCYT H4'    16 RCYT H2'     3.80 
 16 RCYT H4'    16 RCYT H3'     2.80 
 16 RCYT H4'    16 RCYT H6      5.80 
 16 RCYT H4'    17 RGUA H1      5.80 
 16 RCYT H4'    17 RGUA H1'     5.80 
 16 RCYT H4'    17 RGUA H3'     3.80 
 16 RCYT H4'    17 RGUA H4'     5.80 
 16 RCYT H4'    17 RGUA H5"     3.80 
 16 RCYT H4'    17 RGUA H5'     3.80 
 16 RCYT H4'    17 RGUA H8      5.80 
 16 RCYT H2'    16 RCYT H5      5.80 
 16 RCYT H5     17 RGUA H1      5.80 
 16 RCYT H5"    16 RCYT H1'     5.80 
 16 RCYT H5"    16 RCYT H2'     5.80 
 16 RCYT H5"    16 RCYT H3'     3.80 
 16 RCYT H5"    16 RCYT H4'     2.80 
 16 RCYT H5"    16 RCYT H6      5.80 
 16 RCYT H5"    17 RGUA H1      5.80 
 16 RCYT H5"    17 RGUA H1'     5.80 
 16 RCYT H5"    17 RGUA H4'     5.80 
 16 RCYT H5"    17 RGUA H5"     5.80 
 16 RCYT H5"    17 RGUA H5'     5.80 
 16 RCYT H5'    16 RCYT H1'     5.80 
 16 RCYT H5'    16 RCYT H2'     5.80 
 16 RCYT H5'    16 RCYT H3'     3.80 
 16 RCYT H5'    16 RCYT H4'     2.80 
 16 RCYT H5'    16 RCYT H6      5.80 
 16 RCYT H5'    17 RGUA H1      5.80 
 16 RCYT H5'    17 RGUA H1'     5.80 
 16 RCYT H5'    17 RGUA H4'     5.80 
 16 RCYT H5'    17 RGUA H5"     5.80 
 16 RCYT H5'    17 RGUA H5'     5.80 
 16 RCYT H2'    16 RCYT H6      3.80 
 16 RCYT H3'    16 RCYT H6      5.80 
 16 RCYT H6     17 RGUA H1      3.80 
 17 RGUA H2'    17 RGUA H1      5.80 
 17 RGUA H3'    17 RGUA H1      5.80 
 17 RGUA H1     18 RGUA H1      5.80 
 17 RGUA H1     18 RGUA H1'     5.80 
 17 RGUA H1     18 RGUA H8      5.80 
 17 RGUA H1     18 RGUA Q2      6.67 
 17 RGUA H3'    17 RGUA H1'     3.80 
 17 RGUA H1'    17 RGUA H8      2.80 
 17 RGUA H3'    17 RGUA H2'     2.80 
 17 RGUA H2'    18 RGUA H1'     3.80 
 17 RGUA H2'    18 RGUA H2'     5.80 
 17 RGUA H2'    18 RGUA H5"     5.80 
 17 RGUA H2'    18 RGUA H5'     5.80 
 17 RGUA H3'    18 RGUA H1'     5.80 
 17 RGUA H3'    18 RGUA H5"     5.80 
 17 RGUA H3'    18 RGUA H5'     5.80 
 17 RGUA H3'    18 RGUA H8      3.80 
 17 RGUA H4'    17 RGUA H1'     3.80 
 17 RGUA H4'    17 RGUA H2'     3.80 
 17 RGUA H5"    17 RGUA H1'     5.80 
 17 RGUA H5"    17 RGUA H2'     5.80 
 17 RGUA H5"    17 RGUA H3'     3.80 
 17 RGUA H5"    18 RGUA H5'     7.56 
 17 RGUA H5'    17 RGUA H1'     5.80 
 17 RGUA H5'    17 RGUA H2'     5.80 
 17 RGUA H5'    17 RGUA H3'     3.80 
 17 RGUA H5'    18 RGUA H5'     7.56 
 18 RGUA H1     19 URA  H1'     5.80 
 18 RGUA H1     19 URA  H3      3.80 
 18 RGUA H2'    18 RGUA H1'     2.80 
 18 RGUA H1'    18 RGUA H8      3.80 
 18 RGUA H1'    19 URA  H6      5.80 
 18 RGUA H2'    19 URA  H2'     5.80 
 18 RGUA H2'    19 URA  H3'     5.80 
 18 RGUA H2'    19 URA  H5      3.80 
 18 RGUA H2'    19 URA  H6      2.80 
 18 RGUA H3'    19 URA  H5      5.80 
 18 RGUA H3'    19 URA  H6      3.80 
 18 RGUA H4'    18 RGUA H2'     3.80 
 18 RGUA H4'    18 RGUA H8      5.80 
 18 RGUA H4'    19 URA  H6      5.80 
 18 RGUA H5"    18 RGUA H2'     5.80 
 18 RGUA H5"    18 RGUA H3'     3.80 
 18 RGUA H5"    18 RGUA H4'     2.80 
 18 RGUA H5"    18 RGUA H8      5.80 
 18 RGUA H5'    18 RGUA H2'     5.80 
 18 RGUA H5'    18 RGUA H3'     3.80 
 18 RGUA H5'    18 RGUA H4'     2.80 
 18 RGUA H5'    18 RGUA H8      5.80 
 18 RGUA H2'    18 RGUA H8      3.80 
 18 RGUA Q2     19 URA  H3      6.67 
 19 URA  H2'    19 URA  H1'     2.80 
 19 URA  H3'    19 URA  H1'     3.80 
 19 URA  H1'    20 RADE H8      5.80 
 19 URA  H2'    20 RADE H1'     5.80 
 19 URA  H2'    20 RADE H8      2.80 
 19 URA  H2'    19 URA  H3      5.80 
 19 URA  H3     20 RADE H1'     5.80 
 19 URA  H3     20 RADE H61     5.80 
 19 URA  H3     20 RADE H62     5.80 
 19 URA  H3     20 RADE H8      5.80 
 19 URA  H3'    20 RADE H8      2.80 
 19 URA  H4'    19 URA  H1'     3.80 
 19 URA  H4'    19 URA  H6      5.80 
 19 URA  H4'    20 RADE H8      5.80 
 19 URA  H5     20 RADE H8      5.80 
 19 URA  H3'    19 URA  H6      2.80 
 19 URA  H6     20 RADE H8      5.80 
 20 RADE H1'    20 RADE H2      5.80 
 20 RADE H2'    20 RADE H1'     2.80 
 20 RADE H3'    20 RADE H1'     3.80 
 20 RADE H1'    20 RADE H8      3.80 
 20 RADE H1'    21 RCYT H1'     5.80 
 20 RADE H1'    21 RCYT H4'     5.80 
 20 RADE H1'    21 RCYT H5      5.80 
 20 RADE H1'    21 RCYT H5"     5.80 
 20 RADE H1'    21 RCYT H5'     5.80 
 20 RADE H1'    21 RCYT H6      5.80 
 20 RADE H2     21 RCYT H1'     5.80 
 20 RADE H2     21 RCYT H6      5.80 
 20 RADE H3'    20 RADE H2'     2.80 
 20 RADE H2'    21 RCYT H1'     5.80 
 20 RADE H2'    21 RCYT H5      5.80 
 20 RADE H2'    21 RCYT H6      2.80 
 20 RADE H3'    21 RCYT H1'     5.80 
 20 RADE H3'    21 RCYT H3'     5.80 
 20 RADE H3'    21 RCYT H4'     5.80 
 20 RADE H3'    21 RCYT H5      3.80 
 20 RADE H3'    21 RCYT H5"     5.80 
 20 RADE H3'    21 RCYT H5'     5.80 
 20 RADE H3'    21 RCYT H6      2.80 
 20 RADE H4'    20 RADE H1'     3.80 
 20 RADE H4'    20 RADE H8      5.80 
 20 RADE H5"    20 RADE H3'     3.80 
 20 RADE H5"    20 RADE H4'     2.80 
 20 RADE H5"    20 RADE H8      5.80 
 20 RADE H5'    20 RADE H3'     3.80 
 20 RADE H5'    20 RADE H4'     2.80 
 20 RADE H5'    20 RADE H8      5.80 
 20 RADE H2'    20 RADE H8      5.80 
 20 RADE H3'    20 RADE H8      3.80 
 20 RADE H8     21 RCYT H5      5.80 
 20 RADE H8     21 RCYT H6      5.80 
 20 RADE Q6     21 RCYT H41     6.67 
 20 RADE Q6     21 RCYT H42     6.67 
 21 RCYT H2'    21 RCYT H1'     2.80 
 21 RCYT H3'    21 RCYT H1'     3.80 
 21 RCYT H1'    22 RCYT H5      5.80 
 21 RCYT H1'    22 RCYT H6      5.80 
 21 RCYT H3'    21 RCYT H2'     2.80 
 21 RCYT H2'    22 RCYT H4'     5.80 
 21 RCYT H2'    22 RCYT H5      3.80 
 21 RCYT H2'    22 RCYT H6      2.80 
 21 RCYT H3'    22 RCYT H6      2.80 
 21 RCYT H4'    21 RCYT H1'     3.80 
 21 RCYT H4'    21 RCYT H2'     3.80 
 21 RCYT H4'    21 RCYT H6      5.80 
 21 RCYT H4'    22 RCYT H6      5.80 
 21 RCYT H2'    21 RCYT H5      5.80 
 21 RCYT H3'    21 RCYT H5      5.80 
 21 RCYT H5"    21 RCYT H1'     5.80 
 21 RCYT H5"    21 RCYT H3'     3.80 
 21 RCYT H5"    21 RCYT H4'     2.80 
 21 RCYT H5"    21 RCYT H6      5.80 
 21 RCYT H5'    21 RCYT H1'     5.80 
 21 RCYT H5'    21 RCYT H3'     3.80 
 21 RCYT H5'    21 RCYT H4'     2.80 
 21 RCYT H5'    21 RCYT H6      5.80 
 21 RCYT H2'    21 RCYT H6      5.80 
 21 RCYT H3'    21 RCYT H6      2.80 
 21 RCYT H6     22 RCYT H5      5.80 
 21 RCYT H6     22 RCYT H6      5.80 
 21 RCYT Q4     22 RCYT H41     6.67 
 21 RCYT Q4     22 RCYT H42     6.67 
 21 RCYT Q4     22 RCYT H5      6.67 
 22 RCYT H2'    22 RCYT H1'     2.80 
 22 RCYT H3'    22 RCYT H1'     3.80 
 22 RCYT H1'    23 URA  H1'     5.80 
 22 RCYT H1'    23 URA  H6      5.80 
 22 RCYT H3'    22 RCYT H2'     2.80 
 22 RCYT H2'    23 URA  H1'     5.80 
 22 RCYT H2'    23 URA  H2'     5.80 
 22 RCYT H2'    23 URA  H3'     5.80 
 22 RCYT H2'    23 URA  H4'     5.80 
 22 RCYT H2'    23 URA  H5      5.80 
 22 RCYT H2'    23 URA  H6      3.80 
 22 RCYT H3'    23 URA  H3'     5.80 
 22 RCYT H3'    23 URA  H4'     5.80 
 22 RCYT H3'    23 URA  H5      3.80 
 22 RCYT H3'    23 URA  H6      3.80 
 22 RCYT H4'    22 RCYT H1'     3.80 
 22 RCYT H4'    22 RCYT H2'     3.80 
 22 RCYT H4'    22 RCYT H6      5.80 
 22 RCYT H4'    23 URA  H6      5.80 
 22 RCYT H41    23 URA  H3      5.80 
 22 RCYT H42    23 URA  H3      5.80 
 22 RCYT H5     23 URA  H5      5.80 
 22 RCYT H5     23 URA  H6      5.80 
 22 RCYT H5"    22 RCYT H6      5.80 
 22 RCYT H5'    22 RCYT H6      5.80 
 22 RCYT H2'    22 RCYT H6      5.80 
 22 RCYT H3'    22 RCYT H6      3.80 
 22 RCYT H6     23 URA  H5      5.80 
 22 RCYT H6     23 URA  H6      5.80 
 22 RCYT Q4     23 URA  H3      6.67 
 22 RCYT Q4     23 URA  H5      6.67 
 23 URA  H1'    24 URA  H1'     5.80 
 23 URA  H1'    24 URA  H6      5.80 
 23 URA  H2'    24 URA  H1'     5.80 
 23 URA  H2'    24 URA  H6      2.80 
 23 URA  H2'    23 URA  H3      5.80 
 23 URA  H3     24 URA  H1'     5.80 
 23 URA  H3     24 URA  H5      5.80 
 23 URA  H3     24 URA  H6      5.80 
 23 URA  H3'    24 URA  H6      3.80 
 23 URA  H4'    23 URA  H6      5.80 
 23 URA  H2'    23 URA  H6      5.80 
 23 URA  H3'    23 URA  H6      3.80 
 23 URA  H6     24 URA  H5      5.80 
 23 URA  H6     24 URA  H6      5.80 
 24 URA  H2'    24 URA  H1'     2.80 
 24 URA  H3'    24 URA  H1'     3.80 
 24 URA  H1'    25 URA  H6      5.80 
 24 URA  H3'    24 URA  H2'     2.80 
 24 URA  H2'    25 URA  H1'     5.80 
 24 URA  H2'    25 URA  H3'     5.80 
 24 URA  H2'    25 URA  H6      3.80 
 24 URA  H3'    25 URA  H5      5.80 
 24 URA  H3'    25 URA  H6      3.80 
 24 URA  H4'    24 URA  H1'     3.80 
 24 URA  H4'    24 URA  H2'     3.80 
 24 URA  H4'    24 URA  H6      5.80 
 24 URA  H4'    25 URA  H6      5.80 
 24 URA  H2'    24 URA  H5      5.80 
 24 URA  H3'    24 URA  H5      5.80 
 24 URA  H5     25 URA  H3      5.80 
 24 URA  H2'    24 URA  H6      3.80 
 24 URA  H3'    24 URA  H6      2.80 
 24 URA  H6     25 URA  H5      5.80 
 24 URA  H6     25 URA  H6      5.80 
 25 URA  H2'    25 URA  H1'     2.80 
 25 URA  H3'    25 URA  H1'     3.80 
 25 URA  H1'    26 RGUA H8      5.80 
 25 URA  H3'    25 URA  H2'     2.80 
 25 URA  H2'    26 RGUA H1'     5.80 
 25 URA  H2'    26 RGUA H3'     5.80 
 25 URA  H2'    26 RGUA H8      2.80 
 25 URA  H2'    25 URA  H3      5.80 
 25 URA  H3     26 RGUA H1      5.80 
 25 URA  H3     26 RGUA H8      5.80 
 25 URA  H3'    26 RGUA H1'     5.80 
 25 URA  H3'    26 RGUA H3'     5.80 
 25 URA  H3'    26 RGUA H4'     5.80 
 25 URA  H3'    26 RGUA H8      2.80 
 25 URA  H4'    25 URA  H1'     3.80 
 25 URA  H4'    25 URA  H6      5.80 
 25 URA  H4'    26 RGUA H8      5.80 
 25 URA  H2'    25 URA  H6      5.80 
 25 URA  H6     26 RGUA H8      5.80 
 26 RGUA H1     27 URA  H1'     5.80 
 26 RGUA H1     27 URA  H3      3.30 
 26 RGUA H1     27 URA  H5      5.80 
 26 RGUA H1     27 URA  H6      5.80 
 26 RGUA H2'    26 RGUA H1'     2.80 
 26 RGUA H3'    26 RGUA H1'     3.80 
 26 RGUA H1'    26 RGUA H8      3.80 
 26 RGUA H1'    27 URA  H5      5.80 
 26 RGUA H1'    27 URA  H6      5.80 
 26 RGUA H3'    26 RGUA H2'     2.80 
 26 RGUA H2'    27 URA  H3'     5.80 
 26 RGUA H2'    27 URA  H4'     5.80 
 26 RGUA H2'    27 URA  H5      3.80 
 26 RGUA H2'    27 URA  H6      2.80 
 26 RGUA H21    27 URA  H3      5.80 
 26 RGUA H22    27 URA  H3      5.80 
 26 RGUA H3'    27 URA  H3'     5.80 
 26 RGUA H3'    27 URA  H5      5.80 
 26 RGUA H3'    27 URA  H6      3.80 
 26 RGUA H4'    26 RGUA H1'     3.80 
 26 RGUA H4'    26 RGUA H2'     3.80 
 26 RGUA H4'    26 RGUA H8      5.80 
 26 RGUA H5"    26 RGUA H1'     5.80 
 26 RGUA H5"    26 RGUA H2'     5.80 
 26 RGUA H5"    26 RGUA H4'     2.80 
 26 RGUA H5'    26 RGUA H1'     5.80 
 26 RGUA H5'    26 RGUA H2'     5.80 
 26 RGUA H5'    26 RGUA H4'     2.80 
 26 RGUA H2'    26 RGUA H8      5.80 
 26 RGUA H3'    26 RGUA H8      3.80 
 26 RGUA Q2     27 URA  H1'     6.67 
 26 RGUA Q2     27 URA  H3      6.67 
 26 RGUA Q2     27 URA  H4'     6.67 
 26 RGUA Q2     27 URA  H6      6.67 
 27 URA  H2'    27 URA  H1'     2.80 
 27 URA  H3'    27 URA  H1'     3.80 
 27 URA  H1'    28 RGUA H8      5.80 
 27 URA  H3'    27 URA  H2'     2.80 
 27 URA  H2'    28 RGUA H2'     5.80 
 27 URA  H2'    28 RGUA H4'     5.80 
 27 URA  H2'    28 RGUA H8      2.80 
 27 URA  H3     28 RGUA H1      5.80 
 27 URA  H3     28 RGUA H1'     5.80 
 27 URA  H3     28 RGUA H8      5.80 
 27 URA  H3'    28 RGUA H1'     5.80 
 27 URA  H3'    28 RGUA H8      3.80 
 27 URA  H4'    27 URA  H1'     3.80 
 27 URA  H4'    27 URA  H2'     3.80 
 27 URA  H4'    27 URA  H6      5.80 
 27 URA  H4'    28 RGUA H8      5.80 
 27 URA  H2'    27 URA  H6      3.80 
 27 URA  H3'    27 URA  H6      3.80 
 28 RGUA H1     29 URA  H1'     5.80 
 28 RGUA H1     29 URA  H3      3.80 
 28 RGUA H1     29 URA  H5      5.80 
 28 RGUA H1     29 URA  H6      5.80 
 28 RGUA H2'    28 RGUA H1'     2.80 
 28 RGUA H3'    28 RGUA H1'     3.80 
 28 RGUA H1'    28 RGUA H8      3.80 
 28 RGUA H1'    29 URA  H5      5.80 
 28 RGUA H1'    29 URA  H6      5.80 
 28 RGUA H3'    28 RGUA H2'     2.80 
 28 RGUA H2'    29 URA  H2'     5.80 
 28 RGUA H2'    29 URA  H3'     5.80 
 28 RGUA H2'    29 URA  H4'     5.80 
 28 RGUA H2'    29 URA  H5      3.80 
 28 RGUA H2'    29 URA  H6      2.80 
 28 RGUA H3'    29 URA  H3'     5.80 
 28 RGUA H3'    29 URA  H4'     5.80 
 28 RGUA H3'    29 URA  H5      3.80 
 28 RGUA H3'    29 URA  H6      3.80 
 28 RGUA H4'    28 RGUA H1'     3.80 
 28 RGUA H4'    28 RGUA H2'     3.80 
 28 RGUA H4'    28 RGUA H8      5.80 
 28 RGUA H4'    29 URA  H5      5.80 
 28 RGUA H4'    29 URA  H6      5.80 
 28 RGUA H5"    28 RGUA H2'     5.80 
 28 RGUA H5"    28 RGUA H4'     2.80 
 28 RGUA H5"    28 RGUA H8      5.80 
 28 RGUA H5'    28 RGUA H2'     5.80 
 28 RGUA H5'    28 RGUA H4'     2.80 
 28 RGUA H5'    28 RGUA H8      5.80 
 28 RGUA H2'    28 RGUA H8      5.80 
 28 RGUA H3'    28 RGUA H8      3.80 
 28 RGUA H8     29 URA  H5      5.80 
 28 RGUA H8     29 URA  H6      5.80 
 28 RGUA Q2     29 URA  H1'     6.67 
 28 RGUA Q2     29 URA  H3      6.67 
 28 RGUA Q2     29 URA  H5      6.67 
 28 RGUA Q2     29 URA  H6      6.67 
 29 URA  H2'    29 URA  H1'     2.80 
 29 URA  H3'    29 URA  H1'     3.80 
 29 URA  H1'    30 RCYT3H1'     5.80 
 29 URA  H1'    30 RCYT3H5      5.80 
 29 URA  H1'    30 RCYT3H6      5.80 
 29 URA  H2'    30 RCYT3H1'     5.80 
 29 URA  H2'    30 RCYT3H2'     5.80 
 29 URA  H2'    30 RCYT3H3'     5.80 
 29 URA  H2'    30 RCYT3H5      3.80 
 29 URA  H2'    30 RCYT3H5"     5.80 
 29 URA  H2'    30 RCYT3H5'     5.80 
 29 URA  H2'    30 RCYT3H6      2.80 
 29 URA  H2'    30 RCYT3Q4      6.67 
 29 URA  H3     30 RCYT3H41     3.30 
 29 URA  H3     30 RCYT3H42     3.30 
 29 URA  H3     30 RCYT3H5      3.80 
 29 URA  H3     30 RCYT3H6      5.80 
 29 URA  H3     30 RCYT3Q4      4.17 
 29 URA  H3'    30 RCYT3H4'     5.80 
 29 URA  H3'    30 RCYT3H5      3.80 
 29 URA  H3'    30 RCYT3H5"     5.80 
 29 URA  H3'    30 RCYT3H5'     5.80 
 29 URA  H3'    30 RCYT3H6      5.80 
 29 URA  H4'    29 URA  H1'     3.80 
 29 URA  H4'    30 RCYT3H5"     5.80 
 29 URA  H4'    30 RCYT3H5'     5.80 
 29 URA  H4'    30 RCYT3H6      5.80 
 29 URA  H5     30 RCYT3H5      5.80 
 29 URA  H5     30 RCYT3Q4      6.67 
 29 URA  H3'    29 URA  H6      3.80 
 30 RCYT3H2'    30 RCYT3H1'     2.80 
 30 RCYT3H3'    30 RCYT3H1'     3.80 
 30 RCYT3H3'    30 RCYT3H2'     2.80 
 30 RCYT3H4'    30 RCYT3H1'     3.80 
 30 RCYT3H4'    30 RCYT3H2'     3.80 
 30 RCYT3H4'    30 RCYT3H6      5.80 
 30 RCYT3H2'    30 RCYT3H5      5.80 
 30 RCYT3H3'    30 RCYT3H5      5.80 
 30 RCYT3H5"    30 RCYT3H1'     5.80 
 30 RCYT3H5"    30 RCYT3H3'     3.80 
 30 RCYT3H5"    30 RCYT3H4'     2.80 
 30 RCYT3H5"    30 RCYT3H6      5.80 
 30 RCYT3H5'    30 RCYT3H1'     5.80 
 30 RCYT3H5'    30 RCYT3H3'     3.80 
 30 RCYT3H5'    30 RCYT3H4'     2.80 
 30 RCYT3H5'    30 RCYT3H6      5.80 
 30 RCYT3H2'    30 RCYT3H6      5.80 
 30 RCYT3H3'    30 RCYT3H6      3.80 
  1 RGUA5Q5'     1 RGUA5H2'     6.68 
  1 RGUA5H4'     2 RGUA Q5'     6.68 
  1 RGUA5H2'     2 RGUA Q5'     6.68 
  1 RGUA5H1'     2 RGUA Q5'     6.68 
  2 RGUA Q5'     2 RGUA H3'     3.95 
  2 RGUA Q5'     2 RGUA H1'     6.68 
  2 RGUA H2'     3 RCYT Q5'     6.68 
  3 RCYT Q5'     3 RCYT H2'     6.68 
  3 RCYT Q5'     4 RADE H8      6.68 
  5 RCYT Q5'     5 RCYT H3'     3.95 
  5 RCYT Q5'     5 RCYT H6      4.68 
  5 RCYT H4'     6 URA  Q5'     6.68 
  5 RCYT H2'     6 URA  Q5'     4.68 
  5 RCYT H1'     6 URA  Q5'     6.68 
  5 RCYT Q4     26 RGUA Q2      7.55 
  6 URA  Q5'     6 URA  H5      6.68 
  6 URA  H3      7 RCYT Q4      6.67 
  7 RCYT H4'     8 URA  Q5'     6.68 
  7 RCYT H3'     8 URA  Q5'     6.68 
  7 RCYT H2'     8 URA  Q5'     6.68 
  7 RCYT H1'     8 URA  Q5'     6.68 
  7 RCYT Q4     25 URA  H3      6.67 
  8 URA  H4'     9 RGUA Q5'     6.68 
  9 RGUA Q5'    10 RGUA H8      6.68 
 10 RGUA H4'    11 URA  Q5'     6.68 
 10 RGUA H3'    11 URA  Q5'     6.68 
 10 RGUA H2'    11 URA  Q5'     6.68 
 10 RGUA H1'    11 URA  Q5'     6.68 
 11 URA  Q5'    11 URA  H3'     3.95 
 11 URA  Q5'    11 URA  H1'     6.68 
 11 URA  Q5'    11 URA  H6      6.68 
 11 URA  H4'    12 RADE Q5'     6.68 
 11 URA  H3     20 RADE Q6      4.67 
 12 RADE Q5'    12 RADE H8      6.68 
 12 RADE H3'    13 URA  Q5'     6.68 
 12 RADE H2'    13 URA  Q5'     6.68 
 13 URA  H6     14 RCYT Q5'     6.68 
 14 RCYT H1'    15 RADE Q5'     6.68 
 15 RADE Q5'    15 RADE H8      4.68 
 15 RADE Q5'    16 RCYT Q4      7.56 
 15 RADE Q5'    16 RCYT H5      3.68 
 15 RADE Q5'    16 RCYT H6      4.68 
 15 RADE H3'    16 RCYT Q5'     4.68 
 16 RCYT Q5'    17 RGUA H8      6.68 
 16 RCYT H1'    17 RGUA Q5'     6.68 
 17 RGUA Q5'    18 RGUA Q5'     6.62 
 17 RGUA H5'    18 RGUA H5"     7.56 
 17 RGUA H5"    18 RGUA H5"     7.56 
 17 RGUA H4'    18 RGUA Q5'     6.68 
 17 RGUA H1'    18 RGUA Q5'     6.68 
 19 URA  H4'    20 RADE Q5'     6.68 
 19 URA  H1'    20 RADE Q5'     6.68 
 22 RCYT H4'    23 URA  Q5'     6.68 
 24 URA  H2'    25 URA  Q5'     6.68 
 26 RGUA Q5'    26 RGUA H3'     3.95 
 26 RGUA Q5'    26 RGUA H8      4.68 
 27 URA  H3'    28 RGUA Q5'     6.68 
 28 RGUA Q5'    28 RGUA H1'     6.68 
 28 RGUA Q5'    29 URA  H6      6.68 
 29 URA  Q5'    30 RCYT3Q5'     7.56 
  1 RGUA5N2     30 RCYT3O2      3.00 
  1 RGUA5N1     30 RCYT3N3      2.95 
  1 RGUA5H1     30 RCYT3N3      1.95 
  1 RGUA5O6     30 RCYT3N4      2.75 
  2 RGUA N1     29 URA  O2      3.00 
  2 RGUA H1     29 URA  O2      2.00 
  2 RGUA O6     29 URA  N3      3.00 
  2 RGUA O6     29 URA  H3      2.00 
  3 RCYT O2     28 RGUA N2      3.00 
  3 RCYT N3     28 RGUA N1      2.95 
  3 RCYT N3     28 RGUA H1      1.95 
  3 RCYT N4     28 RGUA O6      2.75 
  4 RADE C2     27 URA  O2      3.90 
  4 RADE N1     27 URA  N3      3.00 
  4 RADE N1     27 URA  H3      2.00 
  4 RADE N6     27 URA  O4      2.85 
  5 RCYT O2     26 RGUA N2      3.00 
  5 RCYT N3     26 RGUA N1      2.95 
  5 RCYT N3     26 RGUA H1      1.95 
  5 RCYT N4     26 RGUA O6      2.75 
  6 URA  N3     25 URA  O4      3.05 
  6 URA  H3     25 URA  O4      2.05 
  6 URA  O2     25 URA  N3      3.05 
  6 URA  O2     25 URA  H3      2.05 
  7 RCYT N4     24 URA  O4      3.05 
  7 RCYT H41    24 URA  O4      2.05 
  7 RCYT N3     24 URA  N3      3.05 
  7 RCYT N3     24 URA  H3      2.05 
  8 URA  N3     23 URA  O2      3.05 
  8 URA  H3     23 URA  O2      2.05 
  8 URA  O4     23 URA  N3      3.05 
  8 URA  O4     23 URA  H3      2.05 
  9 RGUA N2     22 RCYT O2      3.00 
  9 RGUA N1     22 RCYT N3      2.95 
  9 RGUA H1     22 RCYT N3      1.95 
  9 RGUA O6     22 RCYT N4      2.75 
 10 RGUA N2     21 RCYT O2      3.00 
 10 RGUA N1     21 RCYT N3      2.95 
 10 RGUA H1     21 RCYT N3      1.95 
 10 RGUA O6     21 RCYT N4      2.75 
 11 URA  O2     20 RADE C2      3.90 
 11 URA  N3     20 RADE N1      3.00 
 11 URA  H3     20 RADE N1      2.00 
 11 URA  O4     20 RADE N6      2.85 
 12 RADE C2     19 URA  O2      3.90 
 12 RADE N1     19 URA  N3      3.00 
 12 RADE N1     19 URA  H3      2.00 
 12 RADE N6     19 URA  O4      2.85 
 13 URA  O2     18 RGUA N1      3.00 
 13 URA  O2     18 RGUA H1      2.00 
 13 URA  N3     18 RGUA O6      3.00 
 13 URA  H3     18 RGUA O6      2.00 




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1 -11.237 -21.146   7.417
    2   2H5*    G   1          2H5*        G   1 -10.614 -22.083   6.047
    3    H4*    G   1           H4*        G   1  -9.353 -22.139   8.660
    4    H3*    G   1           H3*        G   1  -8.767 -20.412   6.260
    5    H2*    G   1           H2*        G   1  -6.441 -20.489   6.899
    6   2HO*    G   1          2HO*        G   1  -7.162 -20.448   9.234
    7    H1*    G   1           H1*        G   1  -6.425 -23.165   7.393
    8    H8     G   1           H8         G   1  -8.708 -22.683   4.401
    9    H1     G   1           H1         G   1  -2.470 -22.099   2.962
   10   1H2     G   1          1H2         G   1  -1.265 -21.962   4.894
   11   2H2     G   1          2H2         G   1  -2.049 -22.080   6.465
   12   1H5*    G   2          1H5*        G   2  -6.427 -18.731   9.432
   13   2H5*    G   2          2H5*        G   2  -6.384 -16.968   9.290
   14    H4*    G   2           H4*        G   2  -4.099 -18.080   9.177
   15    H3*    G   2           H3*        G   2  -4.986 -16.512   6.746
   16    H2*    G   2           H2*        G   2  -2.702 -16.804   6.065
   17   2HO*    G   2          2HO*        G   2  -1.936 -16.517   8.312
   18    H1*    G   2           H1*        G   2  -2.584 -19.460   6.834
   19    H8     G   2           H8         G   2  -5.900 -19.005   5.102
   20    H1     G   2           H1         G   2  -0.850 -18.682   1.105
   21   1H2     G   2          1H2         G   2   1.034 -18.614   2.279
   22   2H2     G   2          2H2         G   2   1.032 -18.704   4.036
   23   1H5*    C   3          1H5*        C   3  -1.428 -14.890   8.557
   24   2H5*    C   3          2H5*        C   3  -1.142 -13.184   8.246
   25    H4*    C   3           H4*        C   3   0.561 -14.951   7.407
   26    H3*    C   3           H3*        C   3  -0.549 -12.865   5.464
   27    H2*    C   3           H2*        C   3   0.891 -13.787   3.776
   28   2HO*    C   3          2HO*        C   3   2.559 -14.092   5.513
   29    H1*    C   3           H1*        C   3   0.384 -16.393   4.398
   30   1H4     C   3          1H4         C   3  -3.680 -15.525  -0.324
   31   2H4     C   3          2H4         C   3  -4.932 -15.033   0.797
   32    H5     C   3           H5         C   3  -4.448 -14.569   3.214
   33    H6     C   3           H6         C   3  -2.735 -14.630   4.887
   34   1H5*    A   4          1H5*        A   4   1.257  -8.726   5.489
   35   2H5*    A   4          2H5*        A   4  -0.198  -9.091   4.559
   36    H4*    A   4           H4*        A   4   2.509 -10.484   4.379
   37    H3*    A   4           H3*        A   4   0.795  -8.793   2.527
   38    H2*    A   4           H2*        A   4   1.653 -10.000   0.658
   39   2HO*    A   4          2HO*        A   4   3.804  -9.969   1.867
   40    H1*    A   4           H1*        A   4   1.577 -12.480   1.865
   41    H8     A   4           H8         A   4  -1.594 -11.074   3.117
   42   1H6     A   4          1H6         A   4  -4.195 -12.738  -2.222
   43   2H6     A   4          2H6         A   4  -4.426 -12.208  -0.564
   44    H2     A   4           H2         A   4   0.280 -12.813  -2.788
   45   1H5*    C   5          1H5*        C   5   4.557  -7.874   0.647
   46   2H5*    C   5          2H5*        C   5   4.501  -6.183   0.107
   47    H4*    C   5           H4*        C   5   4.578  -7.839  -1.772
   48    H3*    C   5           H3*        C   5   2.042  -6.180  -1.571
   49    H2*    C   5           H2*        C   5   1.393  -7.228  -3.637
   50   2HO*    C   5          2HO*        C   5   3.753  -7.119  -4.296
   51    H1*    C   5           H1*        C   5   2.203  -9.751  -2.911
   52   1H4     C   5          1H4         C   5  -4.082  -9.350  -1.900
   53   2H4     C   5          2H4         C   5  -3.842  -8.592  -0.340
   54    H5     C   5           H5         C   5  -1.566  -7.947   0.496
   55    H6     C   5           H6         C   5   0.769  -7.922  -0.060
   56   1H5*    U   6          1H5*        U   6   2.973  -5.780  -5.647
   57   2H5*    U   6          2H5*        U   6   2.612  -4.171  -6.277
   58    H4*    U   6           H4*        U   6   1.332  -6.082  -7.335
   59    H3*    U   6           H3*        U   6  -0.241  -3.850  -6.036
   60    H2*    U   6           H2*        U   6  -2.256  -4.951  -6.689
   61   2HO*    U   6          2HO*        U   6  -1.150  -5.565  -8.751
   62    H1*    U   6           H1*        U   6  -1.460  -7.458  -6.014
   63    H3     U   6           H3         U   6  -4.687  -6.222  -3.026
   64    H5     U   6           H5         U   6  -1.005  -5.125  -1.306
   65    H6     U   6           H6         U   6   0.043  -5.503  -3.409
   66   1H5*    C   7          1H5*        C   7  -0.909  -3.179 -10.401
   67   2H5*    C   7          2H5*        C   7  -1.096  -1.474 -10.856
   68    H4*    C   7           H4*        C   7  -3.312  -2.702 -10.492
   69    H3*    C   7           H3*        C   7  -2.636  -0.404  -8.628
   70    H2*    C   7           H2*        C   7  -4.807  -0.665  -7.740
   71   2HO*    C   7          2HO*        C   7  -5.950  -0.749  -9.685
   72    H1*    C   7           H1*        C   7  -4.860  -3.480  -8.193
   73   1H4     C   7          1H4         C   7  -4.742  -2.857  -1.924
   74   2H4     C   7          2H4         C   7  -2.996  -2.681  -1.858
   75    H5     C   7           H5         C   7  -1.638  -2.509  -4.048
   76    H6     C   7           H6         C   7  -1.861  -2.415  -6.428
   77   1H5*    U   8          1H5*        U   8  -6.482   0.153 -11.381
   78   2H5*    U   8          2H5*        U   8  -6.624   1.906 -11.614
   79    H4*    U   8           H4*        U   8  -8.783   0.845 -10.964
   80    H3*    U   8           H3*        U   8  -7.582   2.811  -8.988
   81    H2*    U   8           H2*        U   8  -9.660   2.613  -7.784
   82   2HO*    U   8          2HO*        U   8 -10.821   2.531  -9.890
   83    H1*    U   8           H1*        U   8  -9.829  -0.126  -8.064
   84    H3     U   8           H3         U   8  -9.038   0.479  -3.612
   85    H5     U   8           H5         U   8  -5.266   0.854  -5.450
   86    H6     U   8           H6         U   8  -6.363   0.930  -7.592
   87   1H5*    G   9          1H5*        G   9 -11.640   4.378  -9.839
   88   2H5*    G   9          2H5*        G   9 -11.602   6.140  -9.643
   89    H4*    G   9           H4*        G   9 -13.154   4.946  -8.059
   90    H3*    G   9           H3*        G   9 -10.860   6.507  -6.841
   91    H2*    G   9           H2*        G   9 -11.845   5.980  -4.686
   92   2HO*    G   9          2HO*        G   9 -14.035   6.190  -5.692
   93    H1*    G   9           H1*        G   9 -12.244   3.342  -5.260
   94    H8     G   9           H8         G   9  -8.932   4.488  -6.846
   95    H1     G   9           H1         G   9  -8.597   3.188  -0.561
   96   1H2     G   9          1H2         G   9 -10.694   3.127   0.306
   97   2H2     G   9          2H2         G   9 -12.094   3.166  -0.758
   98   1H5*    G  10          1H5*        G  10 -14.621   7.751  -4.835
   99   2H5*    G  10          2H5*        G  10 -14.499   9.440  -4.321
  100    H4*    G  10           H4*        G  10 -14.934   7.729  -2.483
  101    H3*    G  10           H3*        G  10 -12.518   9.542  -2.285
  102    H2*    G  10           H2*        G  10 -12.145   8.568  -0.098
  103   2HO*    G  10          2HO*        G  10 -14.552   8.525   0.198
  104    H1*    G  10           H1*        G  10 -12.614   5.987  -0.886
  105    H8     G  10           H8         G  10 -10.662   7.570  -3.721
  106    H1     G  10           H1         G  10  -7.057   6.034   1.376
  107   1H2     G  10          1H2         G  10  -8.397   5.804   3.203
  108   2H2     G  10          2H2         G  10 -10.149   5.801   3.032
  109   1H5*    U  11          1H5*        U  11 -14.718   9.833   1.592
  110   2H5*    U  11          2H5*        U  11 -14.540  11.477   2.229
  111    H4*    U  11           H4*        U  11 -13.601   9.660   3.749
  112    H3*    U  11           H3*        U  11 -11.649  11.746   2.784
  113    H2*    U  11           H2*        U  11 -10.133  10.662   4.318
  114   2HO*    U  11          2HO*        U  11 -11.810  10.310   5.912
  115    H1*    U  11           H1*        U  11 -10.734   8.136   3.520
  116    H3     U  11           H3         U  11  -6.558   9.220   2.038
  117    H5     U  11           H5         U  11  -9.194  10.716  -0.898
  118    H6     U  11           H6         U  11 -11.012  10.298   0.598
  119   1H5*    A  12          1H5*        A  12 -13.027  12.898   7.032
  120   2H5*    A  12          2H5*        A  12 -12.460  14.499   7.530
  121    H4*    A  12           H4*        A  12 -11.064  12.501   8.293
  122    H3*    A  12           H3*        A  12  -9.760  14.726   6.740
  123    H2*    A  12           H2*        A  12  -7.679  13.617   7.187
  124   2HO*    A  12          2HO*        A  12  -8.147  13.123   9.376
  125    H1*    A  12           H1*        A  12  -8.675  11.058   6.654
  126    H8     A  12           H8         A  12 -10.122  13.458   4.193
  127   1H6     A  12          1H6         A  12  -5.035  12.638   0.797
  128   2H6     A  12          2H6         A  12  -6.701  13.197   0.841
  129    H2     A  12           H2         A  12  -4.117  11.285   4.984
  130   1H5*    U  13          1H5*        U  13  -6.556  16.118  11.107
  131   2H5*    U  13          2H5*        U  13  -6.580  16.734   9.457
  132    H4*    U  13           H4*        U  13  -5.024  14.407  10.587
  133    H3*    U  13           H3*        U  13  -4.592  16.818   8.803
  134    H2*    U  13           H2*        U  13  -2.842  15.770   7.635
  135   2HO*    U  13          2HO*        U  13  -2.229  14.737   9.815
  136    H1*    U  13           H1*        U  13  -4.100  13.363   7.333
  137    H3     U  13           H3         U  13  -4.582  15.090   3.162
  138    H5     U  13           H5         U  13  -7.858  16.495   5.419
  139    H6     U  13           H6         U  13  -6.668  15.891   7.411
  140   1H5*    C  14          1H5*        C  14  -0.891  16.536   9.634
  141   2H5*    C  14          2H5*        C  14  -0.212  18.080  10.188
  142    H4*    C  14           H4*        C  14   0.920  17.507   8.174
  143    H3*    C  14           H3*        C  14  -1.217  19.522   7.474
  144    H2*    C  14           H2*        C  14  -0.030  19.592   5.303
  145   2HO*    C  14          2HO*        C  14   1.818  18.333   4.980
  146    H1*    C  14           H1*        C  14  -0.176  16.901   5.091
  147   1H4     C  14          1H4         C  14  -5.715  19.061   2.749
  148   2H4     C  14          2H4         C  14  -6.425  19.171   4.345
  149    H5     C  14           H5         C  14  -5.098  18.657   6.412
  150    H6     C  14           H6         C  14  -2.947  18.042   7.217
  151   1H5*    A  15          1H5*        A  15  -0.090  22.851   5.974
  152   2H5*    A  15          2H5*        A  15   1.013  21.464   5.856
  153    H4*    A  15           H4*        A  15   1.461  24.365   5.242
  154    H3*    A  15           H3*        A  15   1.114  22.203   3.629
  155    H2*    A  15           H2*        A  15   2.705  20.772   4.658
  156   2HO*    A  15          2HO*        A  15   3.708  22.192   2.481
  157    H1*    A  15           H1*        A  15   4.685  23.021   4.633
  158    H8     A  15           H8         A  15   3.351  20.070   6.745
  159   1H6     A  15          1H6         A  15   9.055  19.943   9.160
  160   2H6     A  15          2H6         A  15   7.486  19.145   9.084
  161    H2     A  15           H2         A  15   8.780  23.498   6.473
  162   1H5*    C  16          1H5*        C  16   1.626  21.836   0.589
  163   2H5*    C  16          2H5*        C  16   1.593  23.228  -0.459
  164    H4*    C  16           H4*        C  16   0.345  21.418  -1.386
  165    H3*    C  16           H3*        C  16  -0.775  23.889  -1.559
  166    H2*    C  16           H2*        C  16  -1.736  23.843   0.681
  167   2HO*    C  16          2HO*        C  16  -4.081  23.278   0.227
  168    H1*    C  16           H1*        C  16  -2.942  21.149   0.011
  169   1H4     C  16          1H4         C  16  -4.302  22.105   6.274
  170   2H4     C  16          2H4         C  16  -2.625  21.791   6.688
  171    H5     C  16           H5         C  16  -0.936  21.345   4.924
  172    H6     C  16           H6         C  16  -0.501  21.247   2.593
  173   1H5*    G  17          1H5*        G  17   1.385  22.554  -4.079
  174   2H5*    G  17          2H5*        G  17   0.989  21.311  -5.228
  175    H4*    G  17           H4*        G  17   3.217  21.092  -4.482
  176    H3*    G  17           H3*        G  17   1.514  18.934  -3.201
  177    H2*    G  17           H2*        G  17   3.620  18.070  -2.484
  178   2HO*    G  17          2HO*        G  17   4.353  18.608  -4.822
  179    H1*    G  17           H1*        G  17   4.853  20.650  -2.368
  180    H8     G  17           H8         G  17   5.891  19.924  -0.155
  181    H1     G  17           H1         G  17   0.234  18.216   2.307
  182   1H2     G  17          1H2         G  17  -1.293  18.022   0.685
  183   2H2     G  17          2H2         G  17  -0.921  18.528  -0.950
  184   1H5*    G  18          1H5*        G  18   3.702  16.630  -4.176
  185   2H5*    G  18          2H5*        G  18   3.097  15.126  -4.766
  186    H4*    G  18           H4*        G  18   4.174  15.386  -2.348
  187    H3*    G  18           H3*        G  18   1.672  13.732  -2.763
  188    H2*    G  18           H2*        G  18   1.873  13.215  -0.400
  189   2HO*    G  18          2HO*        G  18   4.276  13.180  -0.638
  190    H1*    G  18           H1*        G  18   2.417  15.789   0.370
  191    H8     G  18           H8         G  18  -0.224  15.657  -2.414
  192    H1     G  18           H1         G  18  -2.475  14.577   3.525
  193   1H2     G  18          1H2         G  18  -0.755  14.242   4.928
  194   2H2     G  18          2H2         G  18   0.909  14.398   4.388
  195   1H5*    U  19          1H5*        U  19   4.646  11.477  -0.293
  196   2H5*    U  19          2H5*        U  19   4.393   9.740  -0.453
  197    H4*    U  19           H4*        U  19   4.153  10.791   1.878
  198    H3*    U  19           H3*        U  19   1.941   9.020   0.790
  199    H2*    U  19           H2*        U  19   0.953   9.235   2.988
  200   2HO*    U  19          2HO*        U  19   3.074   9.145   4.021
  201    H1*    U  19           H1*        U  19   1.309  11.922   3.173
  202    H3     U  19           H3         U  19  -3.190  11.611   2.334
  203    H5     U  19           H5         U  19  -1.334  11.376  -1.432
  204    H6     U  19           H6         U  19   0.765  11.101  -0.338
  205   1H5*    A  20          1H5*        A  20   3.551   7.074   4.409
  206   2H5*    A  20          2H5*        A  20   3.282   5.319   4.366
  207    H4*    A  20           H4*        A  20   2.079   6.514   6.198
  208    H3*    A  20           H3*        A  20   0.283   5.065   4.189
  209    H2*    A  20           H2*        A  20  -1.495   5.682   5.595
  210   2HO*    A  20          2HO*        A  20   0.049   5.551   7.532
  211    H1*    A  20           H1*        A  20  -0.886   8.158   5.863
  212    H8     A  20           H8         A  20   0.309   7.211   2.311
  213   1H6     A  20          1H6         A  20  -5.234   8.977   0.373
  214   2H6     A  20          2H6         A  20  -3.627   8.427  -0.036
  215    H2     A  20           H2         A  20  -5.373   8.745   4.898
  216   1H5*    C  21          1H5*        C  21  -1.295   4.373   7.805
  217   2H5*    C  21          2H5*        C  21  -1.741   2.761   8.087
  218    H4*    C  21           H4*        C  21  -3.644   4.258   8.346
  219    H3*    C  21           H3*        C  21  -3.960   2.452   5.907
  220    H2*    C  21           H2*        C  21  -6.124   3.445   5.676
  221   2HO*    C  21          2HO*        C  21  -6.309   3.519   8.088
  222    H1*    C  21           H1*        C  21  -5.230   6.009   5.999
  223   1H4     C  21          1H4         C  21  -5.020   5.546  -0.239
  224   2H4     C  21          2H4         C  21  -3.357   4.993  -0.201
  225    H5     C  21           H5         C  21  -2.224   4.370   1.961
  226    H6     C  21           H6         C  21  -2.485   4.306   4.328
  227   1H5*    C  22          1H5*        C  22  -7.520   1.949   8.242
  228   2H5*    C  22          2H5*        C  22  -8.143   0.291   8.110
  229    H4*    C  22           H4*        C  22  -9.698   2.075   7.214
  230    H3*    C  22           H3*        C  22  -8.674  -0.039   5.288
  231    H2*    C  22           H2*        C  22 -10.116   0.932   3.652
  232   2HO*    C  22          2HO*        C  22 -11.712   1.316   5.487
  233    H1*    C  22           H1*        C  22  -9.541   3.547   4.315
  234   1H4     C  22          1H4         C  22  -6.068   2.508  -0.830
  235   2H4     C  22          2H4         C  22  -4.731   1.868   0.101
  236    H5     C  22           H5         C  22  -4.894   1.568   2.612
  237    H6     C  22           H6         C  22  -6.361   1.737   4.491
  238   1H5*    U  23          1H5*        U  23 -12.805  -0.048   4.431
  239   2H5*    U  23          2H5*        U  23 -13.339  -1.710   4.134
  240    H4*    U  23           H4*        U  23 -13.634  -0.209   2.171
  241    H3*    U  23           H3*        U  23 -11.666  -2.490   1.825
  242    H2*    U  23           H2*        U  23 -11.592  -1.842  -0.518
  243   2HO*    U  23          2HO*        U  23 -13.911  -1.360  -0.526
  244    H1*    U  23           H1*        U  23 -11.441   0.834   0.008
  245    H3     U  23           H3         U  23  -7.326  -0.156  -1.597
  246    H5     U  23           H5         U  23  -7.250  -1.569   2.372
  247    H6     U  23           H6         U  23  -9.604  -1.098   2.533
  248   1H5*    U  24          1H5*        U  24 -14.827  -2.636  -1.347
  249   2H5*    U  24          2H5*        U  24 -15.059  -4.311  -1.871
  250    H4*    U  24           H4*        U  24 -14.410  -2.701  -3.708
  251    H3*    U  24           H3*        U  24 -12.537  -5.018  -3.133
  252    H2*    U  24           H2*        U  24 -11.394  -4.338  -5.167
  253   2HO*    U  24          2HO*        U  24 -13.566  -3.772  -6.104
  254    H1*    U  24           H1*        U  24 -11.450  -1.660  -4.528
  255    H3     U  24           H3         U  24  -7.076  -2.796  -4.106
  256    H5     U  24           H5         U  24  -8.851  -4.325  -0.630
  257    H6     U  24           H6         U  24 -11.032  -3.828  -1.562
  258   1H5*    U  25          1H5*        U  25 -13.451  -5.264  -7.344
  259   2H5*    U  25          2H5*        U  25 -13.526  -6.964  -7.832
  260    H4*    U  25           H4*        U  25 -11.828  -5.656  -9.087
  261    H3*    U  25           H3*        U  25 -10.709  -7.875  -7.327
  262    H2*    U  25           H2*        U  25  -8.632  -7.445  -8.410
  263   2HO*    U  25          2HO*        U  25  -9.819  -7.046 -10.474
  264    H1*    U  25           H1*        U  25  -8.835  -4.715  -8.193
  265    H3     U  25           H3         U  25  -5.597  -6.004  -5.222
  266    H5     U  25           H5         U  25  -9.202  -6.673  -3.203
  267    H6     U  25           H6         U  25 -10.393  -6.254  -5.264
  268   1H5*    G  26          1H5*        G  26  -9.488  -8.874 -11.276
  269   2H5*    G  26          2H5*        G  26  -9.404 -10.634 -11.495
  270    H4*    G  26           H4*        G  26  -7.212  -9.427 -11.768
  271    H3*    G  26           H3*        G  26  -7.417 -11.457  -9.523
  272    H2*    G  26           H2*        G  26  -5.034 -11.115  -9.217
  273   2HO*    G  26          2HO*        G  26  -4.827 -10.881 -11.624
  274    H1*    G  26           H1*        G  26  -5.223  -8.370  -9.357
  275    H8     G  26           H8         G  26  -8.287  -9.352  -7.417
  276    H1     G  26           H1         G  26  -2.831  -9.911  -4.053
  277   1H2     G  26          1H2         G  26  -1.053  -9.959  -5.509
  278   2H2     G  26          2H2         G  26  -1.317  -9.720  -7.230
  279   1H5*    U  27          1H5*        U  27  -3.919 -12.508 -11.980
  280   2H5*    U  27          2H5*        U  27  -3.782 -14.271 -12.082
  281    H4*    U  27           H4*        U  27  -1.733 -13.150 -11.218
  282    H3*    U  27           H3*        U  27  -3.112 -14.995  -9.229
  283    H2*    U  27           H2*        U  27  -1.123 -14.722  -7.933
  284   2HO*    U  27          2HO*        U  27   0.355 -14.683  -9.702
  285    H1*    U  27           H1*        U  27  -1.118 -12.016  -8.193
  286    H3     U  27           H3         U  27  -2.486 -13.027  -3.924
  287    H5     U  27           H5         U  27  -5.959 -13.292  -6.295
  288    H6     U  27           H6         U  27  -4.590 -13.077  -8.253
  289   1H5*    G  28          1H5*        G  28   0.968 -16.563 -10.124
  290   2H5*    G  28          2H5*        G  28   1.132 -18.260  -9.638
  291    H4*    G  28           H4*        G  28   2.611 -16.499  -8.468
  292    H3*    G  28           H3*        G  28   1.001 -18.401  -6.791
  293    H2*    G  28           H2*        G  28   2.139 -17.363  -4.899
  294   2HO*    G  28          2HO*        G  28   3.758 -15.871  -5.161
  295    H1*    G  28           H1*        G  28   1.607 -14.815  -5.734
  296    H8     G  28           H8         G  28  -1.500 -16.538  -6.835
  297    H1     G  28           H1         G  28  -1.176 -15.836  -0.459
  298   1H2     G  28          1H2         G  28   0.990 -15.521   0.166
  299   2H2     G  28          2H2         G  28   2.250 -15.315  -1.037
  300   1H5*    U  29          1H5*        U  29   4.799 -18.509  -5.315
  301   2H5*    U  29          2H5*        U  29   5.422 -20.132  -4.967
  302    H4*    U  29           H4*        U  29   5.419 -18.730  -2.956
  303    H3*    U  29           H3*        U  29   3.423 -21.026  -2.899
  304    H2*    U  29           H2*        U  29   2.984 -20.463  -0.639
  305   2HO*    U  29          2HO*        U  29   5.349 -19.869  -0.420
  306    H1*    U  29           H1*        U  29   2.753 -17.789  -1.098
  307    H3     U  29           H3         U  29  -1.601 -19.253  -0.595
  308    H5     U  29           H5         U  29  -0.689 -19.565  -4.690
  309    H6     U  29           H6         U  29   1.572 -19.200  -4.189
  310   1H5*    C  30          1H5*        C  30   5.949 -21.502   0.363
  311   2H5*    C  30          2H5*        C  30   6.342 -23.202   0.676
  312    H4*    C  30           H4*        C  30   5.246 -22.099   2.590
  313    H3*    C  30           H3*        C  30   3.604 -24.266   1.215
  314    H2*    C  30           H2*        C  30   2.052 -24.074   3.025
  315   2HO*    C  30          2HO*        C  30   4.126 -23.727   4.430
  316    H1*    C  30           H1*        C  30   2.299 -21.290   3.208
  317   1H4     C  30          1H4         C  30  -3.159 -22.010   0.161
  318   2H4     C  30          2H4         C  30  -2.376 -22.162  -1.402
  319    H5     C  30           H5         C  30   0.142 -22.505  -1.556
  320    H6     C  30           H6         C  30   2.180 -22.484  -0.274
  321    H3T    C  30           HE         C  30   4.531 -25.573   2.726
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1 -11.179 -23.537   8.555
    2   2H5*    G   1          2H5*        G   1 -11.431 -21.780   8.516
    3    H4*    G   1           H4*        G   1  -9.149 -22.460   9.306
    4    H3*    G   1           H3*        G   1  -9.214 -20.876   6.722
    5    H2*    G   1           H2*        G   1  -6.814 -20.728   7.039
    6   2HO*    G   1          2HO*        G   1  -7.138 -20.503   9.404
    7    H1*    G   1           H1*        G   1  -6.567 -23.377   7.776
    8    H8     G   1           H8         G   1  -9.003 -23.138   4.852
    9    H1     G   1           H1         G   1  -2.851 -22.377   3.154
   10   1H2     G   1          1H2         G   1  -1.585 -22.098   5.036
   11   2H2     G   1          2H2         G   1  -2.309 -22.188   6.636
   12   1H5*    G   2          1H5*        G   2  -6.700 -18.820   9.672
   13   2H5*    G   2          2H5*        G   2  -6.737 -17.077   9.387
   14    H4*    G   2           H4*        G   2  -4.428 -18.140   9.305
   15    H3*    G   2           H3*        G   2  -5.379 -16.714   6.804
   16    H2*    G   2           H2*        G   2  -3.115 -16.954   6.116
   17   2HO*    G   2          2HO*        G   2  -2.354 -16.534   8.356
   18    H1*    G   2           H1*        G   2  -2.890 -19.569   7.012
   19    H8     G   2           H8         G   2  -6.223 -19.343   5.288
   20    H1     G   2           H1         G   2  -1.239 -18.907   1.205
   21   1H2     G   2          1H2         G   2   0.659 -18.782   2.356
   22   2H2     G   2          2H2         G   2   0.679 -18.795   4.114
   23   1H5*    C   3          1H5*        C   3  -1.902 -14.831   8.475
   24   2H5*    C   3          2H5*        C   3  -1.680 -13.140   8.011
   25    H4*    C   3           H4*        C   3   0.045 -14.923   7.256
   26    H3*    C   3           H3*        C   3  -1.178 -12.966   5.257
   27    H2*    C   3           H2*        C   3   0.372 -13.825   3.652
   28   2HO*    C   3          2HO*        C   3   2.044 -13.984   5.387
   29    H1*    C   3           H1*        C   3  -0.056 -16.445   4.340
   30   1H4     C   3          1H4         C   3  -4.123 -15.802  -0.445
   31   2H4     C   3          2H4         C   3  -5.378 -15.267   0.652
   32    H5     C   3           H5         C   3  -4.925 -14.775   3.055
   33    H6     C   3           H6         C   3  -3.247 -14.783   4.747
   34   1H5*    A   4          1H5*        A   4   2.988 -12.053   5.133
   35   2H5*    A   4          2H5*        A   4   3.248 -10.326   4.814
   36    H4*    A   4           H4*        A   4   4.133 -11.867   3.038
   37    H3*    A   4           H3*        A   4   1.937  -9.935   2.217
   38    H2*    A   4           H2*        A   4   2.320 -10.697  -0.026
   39   2HO*    A   4          2HO*        A   4   4.673 -10.788   0.390
   40    H1*    A   4           H1*        A   4   2.457 -13.358   0.664
   41    H8     A   4           H8         A   4  -0.304 -11.807   2.754
   42   1H6     A   4          1H6         A   4  -3.960 -13.029  -2.112
   43   2H6     A   4          2H6         A   4  -3.892 -12.593  -0.410
   44    H2     A   4           H2         A   4   0.297 -13.390  -3.453
   45   1H5*    C   5          1H5*        C   5   5.381  -8.834  -0.359
   46   2H5*    C   5          2H5*        C   5   5.233  -7.129  -0.832
   47    H4*    C   5           H4*        C   5   5.076  -8.808  -2.728
   48    H3*    C   5           H3*        C   5   2.674  -7.012  -2.257
   49    H2*    C   5           H2*        C   5   1.780  -8.002  -4.270
   50   2HO*    C   5          2HO*        C   5   4.066  -8.051  -5.145
   51    H1*    C   5           H1*        C   5   2.466 -10.573  -3.588
   52   1H4     C   5          1H4         C   5  -3.654  -9.669  -2.050
   53   2H4     C   5          2H4         C   5  -3.220  -8.968  -0.504
   54    H5     C   5           H5         C   5  -0.834  -8.568   0.156
   55    H6     C   5           H6         C   5   1.439  -8.703  -0.603
   56   1H5*    U   6          1H5*        U   6   3.286  -6.681  -6.401
   57   2H5*    U   6          2H5*        U   6   2.964  -5.065  -7.033
   58    H4*    U   6           H4*        U   6   1.517  -6.939  -7.957
   59    H3*    U   6           H3*        U   6   0.170  -4.588  -6.625
   60    H2*    U   6           H2*        U   6  -1.940  -5.554  -7.121
   61   2HO*    U   6          2HO*        U   6  -2.216  -7.272  -8.468
   62    H1*    U   6           H1*        U   6  -1.252  -8.095  -6.395
   63    H3     U   6           H3         U   6  -4.194  -6.595  -3.247
   64    H5     U   6           H5         U   6  -0.338  -5.805  -1.770
   65    H6     U   6           H6         U   6   0.544  -6.236  -3.944
   66   1H5*    C   7          1H5*        C   7  -0.903  -3.859 -10.789
   67   2H5*    C   7          2H5*        C   7  -0.926  -2.139 -11.236
   68    H4*    C   7           H4*        C   7  -3.245  -3.126 -10.753
   69    H3*    C   7           H3*        C   7  -2.231  -0.948  -8.891
   70    H2*    C   7           H2*        C   7  -4.359  -1.031  -7.866
   71   2HO*    C   7          2HO*        C   7  -5.631  -0.982  -9.737
   72    H1*    C   7           H1*        C   7  -4.693  -3.814  -8.358
   73   1H4     C   7          1H4         C   7  -4.001  -3.195  -2.105
   74   2H4     C   7          2H4         C   7  -2.245  -3.229  -2.184
   75    H5     C   7           H5         C   7  -1.063  -3.231  -4.478
   76    H6     C   7           H6         C   7  -1.473  -3.122  -6.838
   77   1H5*    U   8          1H5*        U   8  -6.146  -0.057 -11.445
   78   2H5*    U   8          2H5*        U   8  -6.225   1.705 -11.628
   79    H4*    U   8           H4*        U   8  -8.401   0.667 -10.947
   80    H3*    U   8           H3*        U   8  -7.130   2.625  -9.011
   81    H2*    U   8           H2*        U   8  -9.182   2.449  -7.751
   82   2HO*    U   8          2HO*        U   8 -10.411   2.357  -9.808
   83    H1*    U   8           H1*        U   8  -9.372  -0.285  -7.986
   84    H3     U   8           H3         U   8  -8.436   0.582  -3.574
   85    H5     U   8           H5         U   8  -4.711   0.591  -5.544
   86    H6     U   8           H6         U   8  -5.865   0.576  -7.648
   87   1H5*    G   9          1H5*        G   9 -11.255   4.136  -9.803
   88   2H5*    G   9          2H5*        G   9 -11.262   5.896  -9.590
   89    H4*    G   9           H4*        G   9 -12.776   4.610  -8.022
   90    H3*    G   9           H3*        G   9 -10.585   6.303  -6.793
   91    H2*    G   9           H2*        G   9 -11.557   5.721  -4.640
   92   2HO*    G   9          2HO*        G   9 -13.747   5.784  -5.667
   93    H1*    G   9           H1*        G   9 -11.759   3.065  -5.202
   94    H8     G   9           H8         G   9  -8.534   4.334  -6.837
   95    H1     G   9           H1         G   9  -8.109   3.402  -0.495
   96   1H2     G   9          1H2         G   9 -10.202   3.299   0.389
   97   2H2     G   9          2H2         G   9 -11.600   3.194  -0.672
   98   1H5*    G  10          1H5*        G  10 -14.444   7.286  -4.813
   99   2H5*    G  10          2H5*        G  10 -14.456   8.986  -4.321
  100    H4*    G  10           H4*        G  10 -14.788   7.258  -2.468
  101    H3*    G  10           H3*        G  10 -12.561   9.293  -2.263
  102    H2*    G  10           H2*        G  10 -12.109   8.396  -0.059
  103   2HO*    G  10          2HO*        G  10 -14.513   8.106   0.204
  104    H1*    G  10           H1*        G  10 -12.305   5.770  -0.808
  105    H8     G  10           H8         G  10 -10.519   7.401  -3.702
  106    H1     G  10           H1         G  10  -6.789   6.458   1.447
  107   1H2     G  10          1H2         G  10  -8.100   6.168   3.289
  108   2H2     G  10          2H2         G  10  -9.848   6.041   3.129
  109   1H5*    U  11          1H5*        U  11 -14.739   9.390   1.615
  110   2H5*    U  11          2H5*        U  11 -14.804  11.071   2.181
  111    H4*    U  11           H4*        U  11 -13.590   9.513   3.800
  112    H3*    U  11           H3*        U  11 -11.970  11.754   2.618
  113    H2*    U  11           H2*        U  11 -10.321  11.005   4.228
  114   2HO*    U  11          2HO*        U  11 -11.819  10.570   5.920
  115    H1*    U  11           H1*        U  11 -10.616   8.360   3.660
  116    H3     U  11           H3         U  11  -6.565   9.719   2.083
  117    H5     U  11           H5         U  11  -9.318  10.779  -0.932
  118    H6     U  11           H6         U  11 -11.101  10.271   0.587
  119   1H5*    A  12          1H5*        A  12 -13.113  12.869   6.875
  120   2H5*    A  12          2H5*        A  12 -12.689  14.532   7.322
  121    H4*    A  12           H4*        A  12 -11.177  12.643   8.198
  122    H3*    A  12           H3*        A  12  -9.959  14.917   6.651
  123    H2*    A  12           H2*        A  12  -7.837  13.911   7.140
  124   2HO*    A  12          2HO*        A  12  -8.326  13.406   9.324
  125    H1*    A  12           H1*        A  12  -8.712  11.292   6.583
  126    H8     A  12           H8         A  12 -10.219  13.628   4.104
  127   1H6     A  12          1H6         A  12  -5.052  13.076   0.788
  128   2H6     A  12          2H6         A  12  -6.746  13.543   0.811
  129    H2     A  12           H2         A  12  -4.126  11.770   4.993
  130   1H5*    U  13          1H5*        U  13  -6.951  16.450  11.121
  131   2H5*    U  13          2H5*        U  13  -6.940  17.064   9.469
  132    H4*    U  13           H4*        U  13  -5.348  14.787  10.656
  133    H3*    U  13           H3*        U  13  -4.927  17.227   8.914
  134    H2*    U  13           H2*        U  13  -3.102  16.245   7.799
  135   2HO*    U  13          2HO*        U  13  -2.554  15.201  10.002
  136    H1*    U  13           H1*        U  13  -4.262  13.805   7.423
  137    H3     U  13           H3         U  13  -4.659  15.581   3.257
  138    H5     U  13           H5         U  13  -8.078  16.787   5.415
  139    H6     U  13           H6         U  13  -6.922  16.216   7.434
  140   1H5*    C  14          1H5*        C  14  -1.256  16.901   9.857
  141   2H5*    C  14          2H5*        C  14  -0.563  18.420  10.461
  142    H4*    C  14           H4*        C  14   0.624  17.821   8.474
  143    H3*    C  14           H3*        C  14  -1.401  19.984   7.823
  144    H2*    C  14           H2*        C  14  -0.257  20.064   5.646
  145   2HO*    C  14          2HO*        C  14   1.793  19.488   6.938
  146    H1*    C  14           H1*        C  14  -0.351  17.383   5.347
  147   1H4     C  14          1H4         C  14  -5.817  19.504   2.812
  148   2H4     C  14          2H4         C  14  -6.581  19.618   4.383
  149    H5     C  14           H5         C  14  -5.330  19.119   6.496
  150    H6     C  14           H6         C  14  -3.200  18.519   7.382
  151   1H5*    A  15          1H5*        A  15  -0.134  23.254   6.430
  152   2H5*    A  15          2H5*        A  15   0.920  21.843   6.154
  153    H4*    A  15           H4*        A  15   1.416  24.778   5.775
  154    H3*    A  15           H3*        A  15   0.667  22.908   3.991
  155    H2*    A  15           H2*        A  15   2.233  21.249   4.461
  156   2HO*    A  15          2HO*        A  15   3.056  22.993   2.467
  157    H1*    A  15           H1*        A  15   4.520  23.193   4.595
  158    H8     A  15           H8         A  15   3.560  19.739   5.151
  159   1H6     A  15          1H6         A  15   8.055  19.278   9.358
  160   2H6     A  15          2H6         A  15   6.883  18.415   8.366
  161    H2     A  15           H2         A  15   7.448  23.620   8.496
  162   1H5*    C  16          1H5*        C  16   1.064  22.535   0.953
  163   2H5*    C  16          2H5*        C  16   0.951  23.954  -0.030
  164    H4*    C  16           H4*        C  16  -0.268  22.151  -0.954
  165    H3*    C  16           H3*        C  16  -1.511  24.572  -0.999
  166    H2*    C  16           H2*        C  16  -2.338  24.438   1.289
  167   2HO*    C  16          2HO*        C  16  -4.677  23.827   0.975
  168    H1*    C  16           H1*        C  16  -3.499  21.724   0.639
  169   1H4     C  16          1H4         C  16  -4.384  22.586   7.015
  170   2H4     C  16          2H4         C  16  -2.677  22.279   7.283
  171    H5     C  16           H5         C  16  -1.135  21.880   5.393
  172    H6     C  16           H6         C  16  -0.888  21.791   3.026
  173   1H5*    G  17          1H5*        G  17   0.509  23.434  -3.710
  174   2H5*    G  17          2H5*        G  17   0.082  22.184  -4.835
  175    H4*    G  17           H4*        G  17   2.369  22.097  -4.278
  176    H3*    G  17           H3*        G  17   0.917  19.803  -2.922
  177    H2*    G  17           H2*        G  17   3.146  19.067  -2.445
  178   2HO*    G  17          2HO*        G  17   3.622  19.717  -4.812
  179    H1*    G  17           H1*        G  17   4.185  21.723  -2.320
  180    H8     G  17           H8         G  17   5.452  20.931  -0.310
  181    H1     G  17           H1         G  17   0.218  18.750   2.627
  182   1H2     G  17          1H2         G  17  -1.485  18.635   1.210
  183   2H2     G  17          2H2         G  17  -1.351  19.301  -0.410
  184   1H5*    G  18          1H5*        G  18   3.178  17.681  -4.150
  185   2H5*    G  18          2H5*        G  18   2.625  16.143  -4.697
  186    H4*    G  18           H4*        G  18   3.901  16.484  -2.371
  187    H3*    G  18           H3*        G  18   1.551  14.600  -2.626
  188    H2*    G  18           H2*        G  18   1.871  14.137  -0.275
  189   2HO*    G  18          2HO*        G  18   4.281  14.355  -0.641
  190    H1*    G  18           H1*        G  18   2.200  16.736   0.485
  191    H8     G  18           H8         G  18  -0.454  16.471  -2.264
  192    H1     G  18           H1         G  18  -2.577  15.071   3.653
  193   1H2     G  18          1H2         G  18  -0.814  14.784   5.032
  194   2H2     G  18          2H2         G  18   0.828  15.075   4.483
  195   1H5*    U  19          1H5*        U  19   4.666  12.612  -0.143
  196   2H5*    U  19          2H5*        U  19   4.563  10.863  -0.332
  197    H4*    U  19           H4*        U  19   4.183  11.822   2.004
  198    H3*    U  19           H3*        U  19   2.086   9.964   0.830
  199    H2*    U  19           H2*        U  19   1.051  10.075   3.008
  200   2HO*    U  19          2HO*        U  19   3.108  10.069   4.123
  201    H1*    U  19           H1*        U  19   1.243  12.771   3.246
  202    H3     U  19           H3         U  19  -3.197  12.091   2.308
  203    H5     U  19           H5         U  19  -1.260  12.222  -1.425
  204    H6     U  19           H6         U  19   0.834  12.095  -0.299
  205   1H5*    A  20          1H5*        A  20   3.655   8.140   4.508
  206   2H5*    A  20          2H5*        A  20   3.516   6.370   4.454
  207    H4*    A  20           H4*        A  20   2.173   7.452   6.269
  208    H3*    A  20           H3*        A  20   0.564   5.916   4.173
  209    H2*    A  20           H2*        A  20  -1.303   6.362   5.499
  210   2HO*    A  20          2HO*        A  20  -1.234   7.238   7.494
  211    H1*    A  20           H1*        A  20  -0.877   8.869   5.855
  212    H8     A  20           H8         A  20   0.447   8.119   2.305
  213   1H6     A  20          1H6         A  20  -5.235   9.427   0.360
  214   2H6     A  20          2H6         A  20  -3.585   9.036  -0.056
  215    H2     A  20           H2         A  20  -5.367   9.112   4.875
  216   1H5*    C  21          1H5*        C  21  -0.880   5.027   7.774
  217   2H5*    C  21          2H5*        C  21  -1.228   3.405   8.059
  218    H4*    C  21           H4*        C  21  -3.222   4.751   8.394
  219    H3*    C  21           H3*        C  21  -3.467   2.961   5.938
  220    H2*    C  21           H2*        C  21  -5.687   3.818   5.725
  221   2HO*    C  21          2HO*        C  21  -5.871   3.860   8.134
  222    H1*    C  21           H1*        C  21  -4.978   6.425   6.059
  223   1H4     C  21          1H4         C  21  -4.770   5.961  -0.191
  224   2H4     C  21          2H4         C  21  -3.082   5.490  -0.163
  225    H5     C  21           H5         C  21  -1.897   4.954   1.988
  226    H6     C  21           H6         C  21  -2.122   4.894   4.345
  227   1H5*    C  22          1H5*        C  22  -6.991   2.226   8.319
  228   2H5*    C  22          2H5*        C  22  -7.533   0.543   8.153
  229    H4*    C  22           H4*        C  22  -9.175   2.282   7.306
  230    H3*    C  22           H3*        C  22  -8.089   0.230   5.352
  231    H2*    C  22           H2*        C  22  -9.576   1.169   3.729
  232   2HO*    C  22          2HO*        C  22 -11.174   1.490   5.574
  233    H1*    C  22           H1*        C  22  -9.077   3.793   4.399
  234   1H4     C  22          1H4         C  22  -5.580   2.789  -0.750
  235   2H4     C  22          2H4         C  22  -4.232   2.174   0.181
  236    H5     C  22           H5         C  22  -4.379   1.918   2.698
  237    H6     C  22           H6         C  22  -5.844   2.076   4.576
  238   1H5*    U  23          1H5*        U  23 -12.211   0.119   4.486
  239   2H5*    U  23          2H5*        U  23 -12.718  -1.552   4.192
  240    H4*    U  23           H4*        U  23 -13.030  -0.037   2.225
  241    H3*    U  23           H3*        U  23 -11.083  -2.337   1.892
  242    H2*    U  23           H2*        U  23 -10.980  -1.701  -0.449
  243   2HO*    U  23          2HO*        U  23 -13.281  -1.205  -0.518
  244    H1*    U  23           H1*        U  23 -10.840   0.980   0.059
  245    H3     U  23           H3         U  23  -6.733   0.032  -1.566
  246    H5     U  23           H5         U  23  -6.601  -1.297   2.431
  247    H6     U  23           H6         U  23  -8.967  -0.885   2.595
  248   1H5*    U  24          1H5*        U  24 -14.257  -2.397  -1.289
  249   2H5*    U  24          2H5*        U  24 -14.527  -4.062  -1.828
  250    H4*    U  24           H4*        U  24 -13.819  -2.426  -3.650
  251    H3*    U  24           H3*        U  24 -12.070  -4.836  -3.092
  252    H2*    U  24           H2*        U  24 -10.884  -4.225  -5.099
  253   2HO*    U  24          2HO*        U  24 -11.584  -2.593  -6.450
  254    H1*    U  24           H1*        U  24 -10.832  -1.534  -4.443
  255    H3     U  24           H3         U  24  -6.517  -2.864  -4.163
  256    H5     U  24           H5         U  24  -8.240  -4.243  -0.600
  257    H6     U  24           H6         U  24 -10.434  -3.697  -1.486
  258   1H5*    U  25          1H5*        U  25 -12.973  -4.948  -7.214
  259   2H5*    U  25          2H5*        U  25 -13.235  -6.612  -7.761
  260    H4*    U  25           H4*        U  25 -11.423  -5.499  -9.021
  261    H3*    U  25           H3*        U  25 -10.534  -7.801  -7.240
  262    H2*    U  25           H2*        U  25  -8.413  -7.596  -8.294
  263   2HO*    U  25          2HO*        U  25  -9.413  -7.203 -10.397
  264    H1*    U  25           H1*        U  25  -8.365  -4.842  -8.187
  265    H3     U  25           H3         U  25  -5.189  -6.211  -5.218
  266    H5     U  25           H5         U  25  -8.807  -6.675  -3.150
  267    H6     U  25           H6         U  25  -9.992  -6.224  -5.202
  268   1H5*    G  26          1H5*        G  26  -9.624  -9.072 -11.228
  269   2H5*    G  26          2H5*        G  26  -9.733 -10.838 -11.375
  270    H4*    G  26           H4*        G  26  -7.430  -9.892 -11.751
  271    H3*    G  26           H3*        G  26  -7.791 -11.764  -9.387
  272    H2*    G  26           H2*        G  26  -5.376 -11.684  -9.189
  273   2HO*    G  26          2HO*        G  26  -5.203 -11.643 -11.590
  274    H1*    G  26           H1*        G  26  -5.259  -8.947  -9.538
  275    H8     G  26           H8         G  26  -8.259  -9.522  -7.309
  276    H1     G  26           H1         G  26  -2.610 -10.328  -4.329
  277   1H2     G  26          1H2         G  26  -0.964 -10.596  -5.915
  278   2H2     G  26          2H2         G  26  -1.347 -10.454  -7.622
  279   1H5*    U  27          1H5*        U  27  -4.616 -13.348 -12.030
  280   2H5*    U  27          2H5*        U  27  -4.623 -15.119 -11.989
  281    H4*    U  27           H4*        U  27  -2.428 -14.062 -11.388
  282    H3*    U  27           H3*        U  27  -3.735 -15.731  -9.206
  283    H2*    U  27           H2*        U  27  -1.649 -15.486  -8.068
  284   2HO*    U  27          2HO*        U  27  -0.362 -15.638 -10.016
  285    H1*    U  27           H1*        U  27  -1.486 -12.804  -8.520
  286    H3     U  27           H3         U  27  -2.453 -13.508  -4.089
  287    H5     U  27           H5         U  27  -6.174 -13.554  -6.060
  288    H6     U  27           H6         U  27  -5.008 -13.598  -8.164
  289   1H5*    G  28          1H5*        G  28   0.270 -17.494 -10.180
  290   2H5*    G  28          2H5*        G  28   0.375 -19.166  -9.603
  291    H4*    G  28           H4*        G  28   1.966 -17.406  -8.585
  292    H3*    G  28           H3*        G  28   0.370 -19.167  -6.756
  293    H2*    G  28           H2*        G  28   1.600 -18.072  -4.956
  294   2HO*    G  28          2HO*        G  28   3.242 -16.631  -5.347
  295    H1*    G  28           H1*        G  28   1.099 -15.556  -5.877
  296    H8     G  28           H8         G  28  -2.075 -17.202  -6.872
  297    H1     G  28           H1         G  28  -1.658 -16.301  -0.531
  298   1H2     G  28          1H2         G  28   0.521 -16.034   0.070
  299   2H2     G  28          2H2         G  28   1.779 -15.934  -1.151
  300   1H5*    U  29          1H5*        U  29   4.212 -19.282  -5.400
  301   2H5*    U  29          2H5*        U  29   4.813 -20.899  -4.996
  302    H4*    U  29           H4*        U  29   4.913 -19.399  -3.058
  303    H3*    U  29           H3*        U  29   2.897 -21.660  -2.822
  304    H2*    U  29           H2*        U  29   2.544 -20.988  -0.574
  305   2HO*    U  29          2HO*        U  29   4.923 -20.423  -0.467
  306    H1*    U  29           H1*        U  29   2.337 -18.332  -1.141
  307    H3     U  29           H3         U  29  -2.018 -19.724  -0.415
  308    H5     U  29           H5         U  29  -1.261 -20.177  -4.525
  309    H6     U  29           H6         U  29   1.021 -19.844  -4.116
  310   1H5*    C  30          1H5*        C  30   5.523 -22.029   0.381
  311   2H5*    C  30          2H5*        C  30   5.898 -23.722   0.753
  312    H4*    C  30           H4*        C  30   4.861 -22.543   2.652
  313    H3*    C  30           H3*        C  30   3.132 -24.703   1.375
  314    H2*    C  30           H2*        C  30   1.617 -24.403   3.199
  315   2HO*    C  30          2HO*        C  30   3.733 -24.074   4.552
  316    H1*    C  30           H1*        C  30   1.962 -21.622   3.295
  317   1H4     C  30          1H4         C  30  -3.599 -22.414   0.409
  318   2H4     C  30          2H4         C  30  -2.860 -22.698  -1.155
  319    H5     C  30           H5         C  30  -0.353 -23.067  -1.351
  320    H6     C  30           H6         C  30   1.722 -22.994  -0.125
  321    H3T    C  30           HE         C  30   4.049 -25.989   2.902
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1 -11.232 -22.517   8.036
    2   2H5*    G   1          2H5*        G   1 -11.497 -20.776   8.237
    3    H4*    G   1           H4*        G   1  -9.411 -21.362   9.304
    4    H3*    G   1           H3*        G   1  -8.938 -19.918   6.686
    5    H2*    G   1           H2*        G   1  -6.629 -19.837   7.349
    6   2HO*    G   1          2HO*        G   1  -7.334 -19.561   9.660
    7    H1*    G   1           H1*        G   1  -6.534 -22.447   8.087
    8    H8     G   1           H8         G   1  -8.875 -22.378   5.114
    9    H1     G   1           H1         G   1  -2.716 -21.531   3.481
   10   1H2     G   1          1H2         G   1  -1.482 -21.167   5.369
   11   2H2     G   1          2H2         G   1  -2.229 -21.209   6.961
   12   1H5*    G   2          1H5*        G   2  -6.763 -17.819   9.627
   13   2H5*    G   2          2H5*        G   2  -6.787 -16.082   9.305
   14    H4*    G   2           H4*        G   2  -4.471 -17.106   9.384
   15    H3*    G   2           H3*        G   2  -5.295 -15.818   6.763
   16    H2*    G   2           H2*        G   2  -3.000 -16.048   6.222
   17   2HO*    G   2          2HO*        G   2  -2.414 -15.534   8.523
   18    H1*    G   2           H1*        G   2  -2.791 -18.619   7.206
   19    H8     G   2           H8         G   2  -6.094 -18.478   5.418
   20    H1     G   2           H1         G   2  -1.048 -18.090   1.409
   21   1H2     G   2          1H2         G   2   0.826 -17.875   2.584
   22   2H2     G   2          2H2         G   2   0.812 -17.828   4.343
   23   1H5*    C   3          1H5*        C   3  -1.959 -13.851   8.408
   24   2H5*    C   3          2H5*        C   3  -1.757 -12.171   7.905
   25    H4*    C   3           H4*        C   3   0.008 -13.951   7.244
   26    H3*    C   3           H3*        C   3  -1.201 -12.021   5.214
   27    H2*    C   3           H2*        C   3   0.383 -12.853   3.623
   28   2HO*    C   3          2HO*        C   3   2.041 -12.936   5.359
   29    H1*    C   3           H1*        C   3   0.046 -15.486   4.340
   30   1H4     C   3          1H4         C   3  -3.992 -15.308  -0.487
   31   2H4     C   3          2H4         C   3  -5.278 -14.818   0.591
   32    H5     C   3           H5         C   3  -4.871 -14.153   2.947
   33    H6     C   3           H6         C   3  -3.210 -13.953   4.645
   34   1H5*    A   4          1H5*        A   4   2.949 -10.868   5.279
   35   2H5*    A   4          2H5*        A   4   3.103  -9.130   4.953
   36    H4*    A   4           H4*        A   4   4.130 -10.618   3.210
   37    H3*    A   4           H3*        A   4   1.827  -8.847   2.327
   38    H2*    A   4           H2*        A   4   2.287  -9.595   0.104
   39   2HO*    A   4          2HO*        A   4   4.628  -9.492   0.503
   40    H1*    A   4           H1*        A   4   2.656 -12.230   0.807
   41    H8     A   4           H8         A   4  -0.289 -10.779   2.774
   42   1H6     A   4          1H6         A   4  -3.704 -12.611  -2.094
   43   2H6     A   4          2H6         A   4  -3.724 -12.045  -0.433
   44    H2     A   4           H2         A   4   0.618 -12.777  -3.270
   45   1H5*    C   5          1H5*        C   5   5.224  -7.567  -0.248
   46   2H5*    C   5          2H5*        C   5   4.961  -5.876  -0.723
   47    H4*    C   5           H4*        C   5   4.915  -7.556  -2.632
   48    H3*    C   5           H3*        C   5   2.383  -5.963  -2.121
   49    H2*    C   5           H2*        C   5   1.527  -6.994  -4.098
   50   2HO*    C   5          2HO*        C   5   2.747  -8.110  -5.530
   51    H1*    C   5           H1*        C   5   2.491  -9.513  -3.462
   52   1H4     C   5          1H4         C   5  -3.696  -9.211  -2.037
   53   2H4     C   5          2H4         C   5  -3.388  -8.383  -0.522
   54    H5     C   5           H5         C   5  -1.055  -7.751   0.190
   55    H6     C   5           H6         C   5   1.238  -7.680  -0.527
   56   1H5*    U   6          1H5*        U   6   3.087  -5.491  -6.202
   57   2H5*    U   6          2H5*        U   6   2.668  -3.905  -6.856
   58    H4*    U   6           H4*        U   6   1.418  -5.851  -7.866
   59    H3*    U   6           H3*        U   6  -0.194  -3.677  -6.518
   60    H2*    U   6           H2*        U   6  -2.189  -4.856  -7.095
   61   2HO*    U   6          2HO*        U   6  -1.118  -5.439  -9.190
   62    H1*    U   6           H1*        U   6  -1.282  -7.331  -6.443
   63    H3     U   6           H3         U   6  -4.439  -6.192  -3.342
   64    H5     U   6           H5         U   6  -0.740  -4.968  -1.756
   65    H6     U   6           H6         U   6   0.243  -5.303  -3.890
   66   1H5*    C   7          1H5*        C   7  -1.061  -3.017 -10.843
   67   2H5*    C   7          2H5*        C   7  -1.310  -1.313 -11.272
   68    H4*    C   7           H4*        C   7  -3.475  -2.599 -10.842
   69    H3*    C   7           H3*        C   7  -2.786  -0.317  -8.961
   70    H2*    C   7           H2*        C   7  -4.908  -0.652  -7.988
   71   2HO*    C   7          2HO*        C   7  -6.123  -0.723  -9.893
   72    H1*    C   7           H1*        C   7  -4.912  -3.461  -8.503
   73   1H4     C   7          1H4         C   7  -4.580  -2.918  -2.231
   74   2H4     C   7          2H4         C   7  -2.849  -2.617  -2.222
   75    H5     C   7           H5         C   7  -1.576  -2.372  -4.457
   76    H6     C   7           H6         C   7  -1.890  -2.280  -6.831
   77   1H5*    U   8          1H5*        U   8  -6.741   0.176 -11.560
   78   2H5*    U   8          2H5*        U   8  -6.945   1.927 -11.757
   79    H4*    U   8           H4*        U   8  -9.045   0.778 -11.054
   80    H3*    U   8           H3*        U   8  -7.844   2.767  -9.100
   81    H2*    U   8           H2*        U   8  -9.870   2.486  -7.826
   82   2HO*    U   8          2HO*        U   8 -11.110   2.407  -9.882
   83    H1*    U   8           H1*        U   8  -9.974  -0.256  -8.156
   84    H3     U   8           H3         U   8  -9.101   0.244  -3.712
   85    H5     U   8           H5         U   8  -5.384   0.799  -5.619
   86    H6     U   8           H6         U   8  -6.530   0.894  -7.737
   87   1H5*    G   9          1H5*        G   9 -11.941   4.277  -9.846
   88   2H5*    G   9          2H5*        G   9 -11.915   6.040  -9.643
   89    H4*    G   9           H4*        G   9 -13.405   4.830  -8.018
   90    H3*    G   9           H3*        G   9 -11.071   6.377  -6.854
   91    H2*    G   9           H2*        G   9 -12.006   5.831  -4.681
   92   2HO*    G   9          2HO*        G   9 -14.217   6.065  -5.610
   93    H1*    G   9           H1*        G   9 -12.422   3.199  -5.276
   94    H8     G   9           H8         G   9  -9.151   4.395  -6.917
   95    H1     G   9           H1         G   9  -8.660   2.985  -0.668
   96   1H2     G   9          1H2         G   9 -10.736   2.868   0.242
   97   2H2     G   9          2H2         G   9 -12.157   2.878  -0.794
   98   1H5*    G  10          1H5*        G  10 -14.806   7.645  -4.781
   99   2H5*    G  10          2H5*        G  10 -14.648   9.322  -4.237
  100    H4*    G  10           H4*        G  10 -15.086   7.575  -2.427
  101    H3*    G  10           H3*        G  10 -12.655   9.366  -2.227
  102    H2*    G  10           H2*        G  10 -12.263   8.351  -0.060
  103   2HO*    G  10          2HO*        G  10 -14.678   8.303   0.245
  104    H1*    G  10           H1*        G  10 -12.732   5.790  -0.894
  105    H8     G  10           H8         G  10 -10.837   7.409  -3.743
  106    H1     G  10           H1         G  10  -7.146   5.898   1.299
  107   1H2     G  10          1H2         G  10  -8.457   5.636   3.138
  108   2H2     G  10          2H2         G  10 -10.212   5.612   2.993
  109   1H5*    U  11          1H5*        U  11 -14.776   9.603   1.659
  110   2H5*    U  11          2H5*        U  11 -14.608  11.240   2.319
  111    H4*    U  11           H4*        U  11 -13.636   9.413   3.799
  112    H3*    U  11           H3*        U  11 -11.716  11.530   2.830
  113    H2*    U  11           H2*        U  11 -10.162  10.453   4.323
  114   2HO*    U  11          2HO*        U  11 -11.813  10.064   5.941
  115    H1*    U  11           H1*        U  11 -10.749   7.924   3.519
  116    H3     U  11           H3         U  11  -6.606   9.113   1.989
  117    H5     U  11           H5         U  11  -9.316  10.546  -0.907
  118    H6     U  11           H6         U  11 -11.102  10.074   0.605
  119   1H5*    A  12          1H5*        A  12 -13.039  12.634   7.111
  120   2H5*    A  12          2H5*        A  12 -12.469  14.230   7.617
  121    H4*    A  12           H4*        A  12 -11.050  12.227   8.323
  122    H3*    A  12           H3*        A  12  -9.783  14.482   6.790
  123    H2*    A  12           H2*        A  12  -7.694  13.374   7.195
  124   2HO*    A  12          2HO*        A  12  -8.129  12.829   9.379
  125    H1*    A  12           H1*        A  12  -8.675  10.824   6.629
  126    H8     A  12           H8         A  12 -10.159  13.266   4.216
  127   1H6     A  12          1H6         A  12  -5.057  12.556   0.801
  128   2H6     A  12          2H6         A  12  -6.723  13.113   0.851
  129    H2     A  12           H2         A  12  -4.153  11.088   4.946
  130   1H5*    U  13          1H5*        U  13  -6.487  15.753  11.130
  131   2H5*    U  13          2H5*        U  13  -6.536  16.378   9.484
  132    H4*    U  13           H4*        U  13  -5.002  13.998  10.554
  133    H3*    U  13           H3*        U  13  -4.556  16.454   8.846
  134    H2*    U  13           H2*        U  13  -2.837  15.448   7.623
  135   2HO*    U  13          2HO*        U  13  -1.912  13.487   8.205
  136    H1*    U  13           H1*        U  13  -4.126  13.061   7.256
  137    H3     U  13           H3         U  13  -4.529  14.977   3.162
  138    H5     U  13           H5         U  13  -7.863  16.225   5.429
  139    H6     U  13           H6         U  13  -6.686  15.557   7.409
  140   1H5*    C  14          1H5*        C  14  -0.907  16.008   9.585
  141   2H5*    C  14          2H5*        C  14  -0.133  17.475  10.219
  142    H4*    C  14           H4*        C  14   0.952  16.956   8.157
  143    H3*    C  14           H3*        C  14  -1.089  19.124   7.622
  144    H2*    C  14           H2*        C  14   0.074  19.321   5.462
  145   2HO*    C  14          2HO*        C  14   1.850  18.016   4.995
  146    H1*    C  14           H1*        C  14  -0.195  16.639   5.066
  147   1H4     C  14          1H4         C  14  -5.679  19.014   2.864
  148   2H4     C  14          2H4         C  14  -6.395  19.020   4.461
  149    H5     C  14           H5         C  14  -5.072  18.385   6.494
  150    H6     C  14           H6         C  14  -2.916  17.732   7.269
  151   1H5*    A  15          1H5*        A  15   0.173  22.491   6.391
  152   2H5*    A  15          2H5*        A  15   1.224  21.076   6.154
  153    H4*    A  15           H4*        A  15   1.795  24.006   5.849
  154    H3*    A  15           H3*        A  15   1.293  22.077   3.999
  155    H2*    A  15           H2*        A  15   2.825  20.468   4.769
  156   2HO*    A  15          2HO*        A  15   4.285  20.299   3.149
  157    H1*    A  15           H1*        A  15   4.925  22.598   4.974
  158    H8     A  15           H8         A  15   3.573  19.376   6.614
  159   1H6     A  15          1H6         A  15   9.086  19.037   9.398
  160   2H6     A  15          2H6         A  15   7.551  18.228   9.093
  161    H2     A  15           H2         A  15   8.895  22.926   7.206
  162   1H5*    C  16          1H5*        C  16   1.549  21.847   1.182
  163   2H5*    C  16          2H5*        C  16   1.799  23.308   0.256
  164    H4*    C  16           H4*        C  16   0.374  21.891  -0.953
  165    H3*    C  16           H3*        C  16  -0.478  24.453  -0.620
  166    H2*    C  16           H2*        C  16  -1.684  24.114   1.406
  167   2HO*    C  16          2HO*        C  16  -3.254  23.883  -0.889
  168    H1*    C  16           H1*        C  16  -2.972  21.638   0.319
  169   1H4     C  16          1H4         C  16  -4.116  21.634   6.700
  170   2H4     C  16          2H4         C  16  -2.412  21.383   7.034
  171    H5     C  16           H5         C  16  -0.763  21.180   5.182
  172    H6     C  16           H6         C  16  -0.398  21.391   2.854
  173   1H5*    G  17          1H5*        G  17   0.003  21.094  -4.436
  174   2H5*    G  17          2H5*        G  17  -0.060  20.849  -2.694
  175    H4*    G  17           H4*        G  17   2.459  21.371  -4.356
  176    H3*    G  17           H3*        G  17   1.371  18.922  -2.915
  177    H2*    G  17           H2*        G  17   3.575  18.281  -2.464
  178   2HO*    G  17          2HO*        G  17   3.977  18.966  -4.853
  179    H1*    G  17           H1*        G  17   4.610  20.935  -2.348
  180    H8     G  17           H8         G  17   5.860  20.027  -0.224
  181    H1     G  17           H1         G  17   0.385  18.047   2.466
  182   1H2     G  17          1H2         G  17  -1.283  18.165   1.032
  183   2H2     G  17          2H2         G  17  -1.051  18.821  -0.579
  184   1H5*    G  18          1H5*        G  18   3.559  16.686  -4.253
  185   2H5*    G  18          2H5*        G  18   2.935  15.080  -4.650
  186    H4*    G  18           H4*        G  18   4.195  15.579  -2.354
  187    H3*    G  18           H3*        G  18   1.727  13.850  -2.599
  188    H2*    G  18           H2*        G  18   1.953  13.436  -0.238
  189   2HO*    G  18          2HO*        G  18   4.388  13.480  -0.556
  190    H1*    G  18           H1*        G  18   2.456  16.036   0.451
  191    H8     G  18           H8         G  18  -0.168  15.902  -2.319
  192    H1     G  18           H1         G  18  -2.443  14.417   3.516
  193   1H2     G  18          1H2         G  18  -0.716  14.005   4.903
  194   2H2     G  18          2H2         G  18   0.946  14.263   4.397
  195   1H5*    U  19          1H5*        U  19   4.675  11.740  -0.108
  196   2H5*    U  19          2H5*        U  19   4.525   9.993  -0.302
  197    H4*    U  19           H4*        U  19   4.165  10.941   2.038
  198    H3*    U  19           H3*        U  19   2.013   9.188   0.807
  199    H2*    U  19           H2*        U  19   0.956   9.297   2.977
  200   2HO*    U  19          2HO*        U  19   2.992   9.180   4.119
  201    H1*    U  19           H1*        U  19   1.267  11.979   3.279
  202    H3     U  19           H3         U  19  -3.205  11.463   2.327
  203    H5     U  19           H5         U  19  -1.256  11.640  -1.396
  204    H6     U  19           H6         U  19   0.829  11.420  -0.276
  205   1H5*    A  20          1H5*        A  20   3.544   7.124   4.402
  206   2H5*    A  20          2H5*        A  20   3.291   5.371   4.294
  207    H4*    A  20           H4*        A  20   2.030   6.505   6.142
  208    H3*    A  20           H3*        A  20   0.285   5.117   4.047
  209    H2*    A  20           H2*        A  20  -1.517   5.665   5.430
  210   2HO*    A  20          2HO*        A  20  -1.318   6.560   7.433
  211    H1*    A  20           H1*        A  20  -0.927   8.138   5.760
  212    H8     A  20           H8         A  20   0.336   7.323   2.206
  213   1H6     A  20          1H6         A  20  -5.280   8.895   0.282
  214   2H6     A  20          2H6         A  20  -3.646   8.443  -0.140
  215    H2     A  20           H2         A  20  -5.423   8.540   4.791
  216   1H5*    C  21          1H5*        C  21  -1.230   4.284   7.609
  217   2H5*    C  21          2H5*        C  21  -1.693   2.679   7.860
  218    H4*    C  21           H4*        C  21  -3.586   4.176   8.192
  219    H3*    C  21           H3*        C  21  -3.925   2.402   5.737
  220    H2*    C  21           H2*        C  21  -6.114   3.360   5.557
  221   2HO*    C  21          2HO*        C  21  -6.263   3.424   7.968
  222    H1*    C  21           H1*        C  21  -5.247   5.929   5.862
  223   1H4     C  21          1H4         C  21  -5.101   5.459  -0.372
  224   2H4     C  21          2H4         C  21  -3.420   4.956  -0.357
  225    H5     C  21           H5         C  21  -2.242   4.374   1.795
  226    H6     C  21           H6         C  21  -2.474   4.300   4.163
  227   1H5*    C  22          1H5*        C  22  -7.432   1.834   8.132
  228   2H5*    C  22          2H5*        C  22  -8.021   0.161   8.033
  229    H4*    C  22           H4*        C  22  -9.639   1.895   7.150
  230    H3*    C  22           H3*        C  22  -8.589  -0.203   5.221
  231    H2*    C  22           H2*        C  22 -10.080   0.721   3.599
  232   2HO*    C  22          2HO*        C  22 -11.654   1.070   5.469
  233    H1*    C  22           H1*        C  22  -9.572   3.354   4.247
  234   1H4     C  22          1H4         C  22  -6.156   2.416  -0.950
  235   2H4     C  22          2H4         C  22  -4.793   1.788  -0.051
  236    H5     C  22           H5         C  22  -4.899   1.503   2.472
  237    H6     C  22           H6         C  22  -6.340   1.629   4.374
  238   1H5*    U  23          1H5*        U  23 -12.718  -0.340   4.386
  239   2H5*    U  23          2H5*        U  23 -13.194  -2.024   4.117
  240    H4*    U  23           H4*        U  23 -13.552  -0.573   2.129
  241    H3*    U  23           H3*        U  23 -11.484  -2.770   1.813
  242    H2*    U  23           H2*        U  23 -11.452  -2.162  -0.538
  243   2HO*    U  23          2HO*        U  23 -13.779  -1.799  -0.567
  244    H1*    U  23           H1*        U  23 -11.437   0.538  -0.053
  245    H3     U  23           H3         U  23  -7.301  -0.292  -1.702
  246    H5     U  23           H5         U  23  -7.122  -1.694   2.269
  247    H6     U  23           H6         U  23  -9.488  -1.303   2.461
  248   1H5*    U  24          1H5*        U  24 -14.664  -3.081  -1.335
  249   2H5*    U  24          2H5*        U  24 -14.833  -4.772  -1.825
  250    H4*    U  24           H4*        U  24 -14.280  -3.167  -3.701
  251    H3*    U  24           H3*        U  24 -12.319  -5.406  -3.111
  252    H2*    U  24           H2*        U  24 -11.235  -4.741  -5.177
  253   2HO*    U  24          2HO*        U  24 -13.430  -4.304  -6.104
  254    H1*    U  24           H1*        U  24 -11.403  -2.036  -4.610
  255    H3     U  24           H3         U  24  -6.969  -2.919  -4.281
  256    H5     U  24           H5         U  24  -8.568  -4.538  -0.763
  257    H6     U  24           H6         U  24 -10.800  -4.155  -1.636
  258   1H5*    U  25          1H5*        U  25 -13.413  -5.873  -7.281
  259   2H5*    U  25          2H5*        U  25 -13.463  -7.598  -7.679
  260    H4*    U  25           H4*        U  25 -11.862  -6.317  -9.082
  261    H3*    U  25           H3*        U  25 -10.590  -8.394  -7.254
  262    H2*    U  25           H2*        U  25  -8.574  -7.946  -8.447
  263   2HO*    U  25          2HO*        U  25  -9.845  -7.733 -10.477
  264    H1*    U  25           H1*        U  25  -8.887  -5.217  -8.387
  265    H3     U  25           H3         U  25  -5.460  -6.112  -5.492
  266    H5     U  25           H5         U  25  -8.923  -6.907  -3.283
  267    H6     U  25           H6         U  25 -10.226  -6.681  -5.303
  268   1H5*    G  26          1H5*        G  26  -9.553  -9.666 -11.222
  269   2H5*    G  26          2H5*        G  26  -9.368 -11.429 -11.278
  270    H4*    G  26           H4*        G  26  -7.285 -10.101 -11.792
  271    H3*    G  26           H3*        G  26  -7.208 -11.975  -9.409
  272    H2*    G  26           H2*        G  26  -4.848 -11.437  -9.268
  273   2HO*    G  26          2HO*        G  26  -4.786 -11.381 -11.691
  274    H1*    G  26           H1*        G  26  -5.225  -8.737  -9.597
  275    H8     G  26           H8         G  26  -8.110  -9.780  -7.409
  276    H1     G  26           H1         G  26  -2.459  -9.740  -4.340
  277   1H2     G  26          1H2         G  26  -0.771  -9.798  -5.887
  278   2H2     G  26          2H2         G  26  -1.128  -9.649  -7.603
  279   1H5*    U  27          1H5*        U  27  -3.755 -13.005 -11.997
  280   2H5*    U  27          2H5*        U  27  -3.432 -14.745 -11.910
  281    H4*    U  27           H4*        U  27  -1.520 -13.197 -11.191
  282    H3*    U  27           H3*        U  27  -2.549 -15.295  -9.256
  283    H2*    U  27           H2*        U  27  -0.886 -14.574  -7.737
  284   2HO*    U  27          2HO*        U  27   0.650 -14.371  -9.587
  285    H1*    U  27           H1*        U  27  -1.132 -11.886  -8.217
  286    H3     U  27           H3         U  27  -2.213 -12.936  -3.892
  287    H5     U  27           H5         U  27  -5.770 -13.397  -6.098
  288    H6     U  27           H6         U  27  -4.477 -13.234  -8.120
  289   1H5*    G  28          1H5*        G  28  -0.068 -19.350  -9.235
  290   2H5*    G  28          2H5*        G  28  -0.883 -18.977  -7.736
  291    H4*    G  28           H4*        G  28   1.512 -17.750  -8.812
  292    H3*    G  28           H3*        G  28   0.681 -19.044  -6.287
  293    H2*    G  28           H2*        G  28   1.899 -17.554  -4.950
  294   2HO*    G  28          2HO*        G  28   3.551 -17.563  -6.852
  295    H1*    G  28           H1*        G  28   1.187 -15.236  -6.139
  296    H8     G  28           H8         G  28  -1.977 -16.813  -6.912
  297    H1     G  28           H1         G  28  -1.560 -15.653  -0.609
  298   1H2     G  28          1H2         G  28   0.595 -15.298  -0.018
  299   2H2     G  28          2H2         G  28   1.868 -15.268  -1.222
  300   1H5*    U  29          1H5*        U  29   4.448 -18.702  -5.135
  301   2H5*    U  29          2H5*        U  29   5.131 -20.268  -4.662
  302    H4*    U  29           H4*        U  29   5.130 -18.739  -2.761
  303    H3*    U  29           H3*        U  29   3.106 -20.995  -2.486
  304    H2*    U  29           H2*        U  29   2.762 -20.243  -0.261
  305   2HO*    U  29          2HO*        U  29   5.143 -19.661  -0.183
  306    H1*    U  29           H1*        U  29   2.544 -17.612  -0.952
  307    H3     U  29           H3         U  29  -1.789 -19.042  -0.134
  308    H5     U  29           H5         U  29  -1.032 -19.930  -4.152
  309    H6     U  29           H6         U  29   1.263 -19.384  -3.819
  310   1H5*    C  30          1H5*        C  30   5.708 -21.261   0.754
  311   2H5*    C  30          2H5*        C  30   6.030 -22.942   1.211
  312    H4*    C  30           H4*        C  30   5.052 -21.608   3.032
  313    H3*    C  30           H3*        C  30   3.282 -23.842   1.954
  314    H2*    C  30           H2*        C  30   1.795 -23.389   3.771
  315   2HO*    C  30          2HO*        C  30   3.720 -21.590   4.856
  316    H1*    C  30           H1*        C  30   2.084 -20.614   3.609
  317   1H4     C  30          1H4         C  30  -3.407 -21.768   0.744
  318   2H4     C  30          2H4         C  30  -2.636 -22.098  -0.796
  319    H5     C  30           H5         C  30  -0.119 -22.413  -0.944
  320    H6     C  30           H6         C  30   1.935 -22.215   0.297
  321    H3T    C  30           HE         C  30   4.424 -23.889   4.465
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1 -11.267 -21.762   8.498
    2   2H5*    G   1          2H5*        G   1 -11.353 -19.990   8.538
    3    H4*    G   1           H4*        G   1  -9.161 -20.918   9.335
    4    H3*    G   1           H3*        G   1  -9.049 -19.215   6.821
    5    H2*    G   1           H2*        G   1  -6.653 -19.302   7.132
    6   2HO*    G   1          2HO*        G   1  -6.910 -19.099   9.485
    7    H1*    G   1           H1*        G   1  -6.646 -21.974   7.830
    8    H8     G   1           H8         G   1  -8.941 -21.376   4.823
    9    H1     G   1           H1         G   1  -2.684 -21.619   3.363
   10   1H2     G   1          1H2         G   1  -1.462 -21.516   5.289
   11   2H2     G   1          2H2         G   1  -2.250 -21.461   6.859
   12   1H5*    G   2          1H5*        G   2  -6.361 -17.468   9.903
   13   2H5*    G   2          2H5*        G   2  -6.212 -15.729   9.614
   14    H4*    G   2           H4*        G   2  -4.010 -17.015   9.529
   15    H3*    G   2           H3*        G   2  -4.840 -15.554   7.011
   16    H2*    G   2           H2*        G   2  -2.604 -16.048   6.319
   17   2HO*    G   2          2HO*        G   2  -1.772 -15.652   8.526
   18    H1*    G   2           H1*        G   2  -2.650 -18.646   7.299
   19    H8     G   2           H8         G   2  -5.911 -17.945   5.487
   20    H1     G   2           H1         G   2  -0.833 -18.418   1.555
   21   1H2     G   2          1H2         G   2   1.035 -18.424   2.729
   22   2H2     G   2          2H2         G   2   1.022 -18.427   4.489
   23   1H5*    C   3          1H5*        C   3  -1.098 -14.072   8.604
   24   2H5*    C   3          2H5*        C   3  -0.715 -12.428   8.106
   25    H4*    C   3           H4*        C   3   0.825 -14.430   7.394
   26    H3*    C   3           H3*        C   3  -0.148 -12.347   5.393
   27    H2*    C   3           H2*        C   3   1.078 -13.457   3.684
   28   2HO*    C   3          2HO*        C   3   2.819 -13.844   5.350
   29    H1*    C   3           H1*        C   3   0.437 -16.008   4.494
   30   1H4     C   3          1H4         C   3  -3.656 -15.139  -0.217
   31   2H4     C   3          2H4         C   3  -4.823 -14.432   0.880
   32    H5     C   3           H5         C   3  -4.242 -13.829   3.245
   33    H6     C   3           H6         C   3  -2.498 -13.914   4.893
   34   1H5*    A   4          1H5*        A   4   1.928  -8.463   5.379
   35   2H5*    A   4          2H5*        A   4   0.296  -8.631   4.726
   36    H4*    A   4           H4*        A   4   2.690 -10.433   4.126
   37    H3*    A   4           H3*        A   4   1.034  -8.466   2.489
   38    H2*    A   4           H2*        A   4   1.623  -9.736   0.566
   39   2HO*    A   4          2HO*        A   4   3.862  -9.876   1.556
   40    H1*    A   4           H1*        A   4   1.542 -12.206   1.925
   41    H8     A   4           H8         A   4  -1.658 -10.842   2.972
   42   1H6     A   4          1H6         A   4  -4.053 -12.469  -2.480
   43   2H6     A   4          2H6         A   4  -4.343 -11.942  -0.832
   44    H2     A   4           H2         A   4   0.447 -12.549  -2.862
   45   1H5*    C   5          1H5*        C   5   4.785  -7.564   0.499
   46   2H5*    C   5          2H5*        C   5   4.697  -5.865  -0.001
   47    H4*    C   5           H4*        C   5   4.665  -7.501  -1.898
   48    H3*    C   5           H3*        C   5   2.135  -5.846  -1.567
   49    H2*    C   5           H2*        C   5   1.455  -6.846  -3.645
   50   2HO*    C   5          2HO*        C   5   3.801  -6.689  -4.351
   51    H1*    C   5           H1*        C   5   2.336  -9.378  -2.990
   52   1H4     C   5          1H4         C   5  -3.962  -9.060  -2.063
   53   2H4     C   5          2H4         C   5  -3.770  -8.264  -0.515
   54    H5     C   5           H5         C   5  -1.506  -7.602   0.371
   55    H6     C   5           H6         C   5   0.849  -7.567  -0.143
   56   1H5*    U   6          1H5*        U   6   3.126  -5.259  -5.621
   57   2H5*    U   6          2H5*        U   6   2.723  -3.651  -6.227
   58    H4*    U   6           H4*        U   6   1.562  -5.613  -7.346
   59    H3*    U   6           H3*        U   6  -0.131  -3.424  -6.128
   60    H2*    U   6           H2*        U   6  -2.083  -4.586  -6.854
   61   2HO*    U   6          2HO*        U   6  -0.827  -5.188  -8.856
   62    H1*    U   6           H1*        U   6  -1.248  -7.067  -6.132
   63    H3     U   6           H3         U   6  -4.593  -5.920  -3.241
   64    H5     U   6           H5         U   6  -0.981  -4.812  -1.388
   65    H6     U   6           H6         U   6   0.133  -5.129  -3.459
   66   1H5*    C   7          1H5*        C   7  -0.871  -2.766 -10.414
   67   2H5*    C   7          2H5*        C   7  -1.016  -1.049 -10.842
   68    H4*    C   7           H4*        C   7  -3.264  -2.265 -10.598
   69    H3*    C   7           H3*        C   7  -2.652  -0.028  -8.636
   70    H2*    C   7           H2*        C   7  -4.844  -0.332  -7.816
   71   2HO*    C   7          2HO*        C   7  -5.935  -0.356  -9.793
   72    H1*    C   7           H1*        C   7  -4.867  -3.127  -8.363
   73   1H4     C   7          1H4         C   7  -4.845  -2.591  -2.060
   74   2H4     C   7          2H4         C   7  -3.101  -2.419  -1.970
   75    H5     C   7           H5         C   7  -1.703  -2.254  -4.139
   76    H6     C   7           H6         C   7  -1.894  -2.137  -6.518
   77   1H5*    U   8          1H5*        U   8  -6.442   0.686 -11.500
   78   2H5*    U   8          2H5*        U   8  -6.609   2.450 -11.590
   79    H4*    U   8           H4*        U   8  -8.756   1.267 -11.085
   80    H3*    U   8           H3*        U   8  -7.697   3.156  -8.960
   81    H2*    U   8           H2*        U   8  -9.797   2.782  -7.824
   82   2HO*    U   8          2HO*        U   8 -10.904   2.778  -9.957
   83    H1*    U   8           H1*        U   8  -9.824   0.065  -8.266
   84    H3     U   8           H3         U   8  -9.147   0.423  -3.781
   85    H5     U   8           H5         U   8  -5.361   1.114  -5.505
   86    H6     U   8           H6         U   8  -6.421   1.266  -7.661
   87   1H5*    G   9          1H5*        G   9 -11.861   4.591  -9.776
   88   2H5*    G   9          2H5*        G   9 -11.894   6.334  -9.445
   89    H4*    G   9           H4*        G   9 -13.421   4.941  -7.990
   90    H3*    G   9           H3*        G   9 -11.250   6.542  -6.614
   91    H2*    G   9           H2*        G   9 -12.220   5.792  -4.517
   92   2HO*    G   9          2HO*        G   9 -14.409   5.948  -5.516
   93    H1*    G   9           H1*        G   9 -12.438   3.187  -5.290
   94    H8     G   9           H8         G   9  -9.187   4.601  -6.771
   95    H1     G   9           H1         G   9  -8.843   3.030  -0.554
   96   1H2     G   9          1H2         G   9 -10.947   2.872   0.294
   97   2H2     G   9          2H2         G   9 -12.335   2.881  -0.786
   98   1H5*    G  10          1H5*        G  10 -15.094   7.428  -4.493
   99   2H5*    G  10          2H5*        G  10 -15.048   9.106  -3.929
  100    H4*    G  10           H4*        G  10 -15.380   7.351  -2.126
  101    H3*    G  10           H3*        G  10 -12.999   9.212  -1.933
  102    H2*    G  10           H2*        G  10 -12.547   8.195   0.216
  103   2HO*    G  10          2HO*        G  10 -14.932   8.084   0.595
  104    H1*    G  10           H1*        G  10 -12.964   5.626  -0.640
  105    H8     G  10           H8         G  10 -11.136   7.352  -3.480
  106    H1     G  10           H1         G  10  -7.385   5.846   1.517
  107   1H2     G  10          1H2         G  10  -8.689   5.529   3.362
  108   2H2     G  10          2H2         G  10 -10.445   5.492   3.221
  109   1H5*    U  11          1H5*        U  11 -14.973   9.378   2.071
  110   2H5*    U  11          2H5*        U  11 -14.836  11.042   2.671
  111    H4*    U  11           H4*        U  11 -13.721   9.316   4.180
  112    H3*    U  11           H3*        U  11 -11.927  11.437   3.018
  113    H2*    U  11           H2*        U  11 -10.288  10.466   4.505
  114   2HO*    U  11          2HO*        U  11 -11.810  10.117   6.226
  115    H1*    U  11           H1*        U  11 -10.861   7.887   3.846
  116    H3     U  11           H3         U  11  -6.781   9.019   2.154
  117    H5     U  11           H5         U  11  -9.565  10.353  -0.721
  118    H6     U  11           H6         U  11 -11.319   9.915   0.852
  119   1H5*    A  12          1H5*        A  12 -12.913  12.640   7.337
  120   2H5*    A  12          2H5*        A  12 -12.320  14.254   7.763
  121    H4*    A  12           H4*        A  12 -10.921  12.239   8.528
  122    H3*    A  12           H3*        A  12  -9.625  14.428   6.914
  123    H2*    A  12           H2*        A  12  -7.561  13.288   7.290
  124   2HO*    A  12          2HO*        A  12  -7.940  12.806   9.495
  125    H1*    A  12           H1*        A  12  -8.639  10.734   6.795
  126    H8     A  12           H8         A  12 -10.109  13.167   4.381
  127   1H6     A  12          1H6         A  12  -5.099  12.299   0.869
  128   2H6     A  12          2H6         A  12  -6.761  12.863   0.938
  129    H2     A  12           H2         A  12  -4.123  10.918   5.029
  130   1H5*    U  13          1H5*        U  13  -6.271  15.777  11.206
  131   2H5*    U  13          2H5*        U  13  -6.326  16.427   9.568
  132    H4*    U  13           H4*        U  13  -4.730  14.096  10.625
  133    H3*    U  13           H3*        U  13  -4.380  16.485   8.801
  134    H2*    U  13           H2*        U  13  -2.660  15.442   7.597
  135   2HO*    U  13          2HO*        U  13  -1.722  13.500   8.250
  136    H1*    U  13           H1*        U  13  -3.948  13.036   7.350
  137    H3     U  13           H3         U  13  -4.525  14.723   3.190
  138    H5     U  13           H5         U  13  -7.737  16.154   5.522
  139    H6     U  13           H6         U  13  -6.493  15.564   7.488
  140   1H5*    C  14          1H5*        C  14  -0.657  16.135   9.512
  141   2H5*    C  14          2H5*        C  14   0.106  17.651  10.038
  142    H4*    C  14           H4*        C  14   1.163  16.994   7.989
  143    H3*    C  14           H3*        C  14  -0.842  19.169   7.395
  144    H2*    C  14           H2*        C  14   0.199  19.176   5.161
  145   2HO*    C  14          2HO*        C  14   1.965  17.835   4.715
  146    H1*    C  14           H1*        C  14  -0.074  16.491   4.939
  147   1H4     C  14          1H4         C  14  -5.652  18.705   2.800
  148   2H4     C  14          2H4         C  14  -6.297  18.840   4.422
  149    H5     C  14           H5         C  14  -4.890  18.364   6.439
  150    H6     C  14           H6         C  14  -2.707  17.752   7.168
  151   1H5*    A  15          1H5*        A  15   0.497  22.474   6.003
  152   2H5*    A  15          2H5*        A  15   1.436  20.987   5.751
  153    H4*    A  15           H4*        A  15   2.129  23.839   5.171
  154    H3*    A  15           H3*        A  15   1.476  21.743   3.574
  155    H2*    A  15           H2*        A  15   2.989  20.149   4.398
  156   2HO*    A  15          2HO*        A  15   3.991  21.587   2.249
  157    H1*    A  15           H1*        A  15   5.200  22.134   4.411
  158    H8     A  15           H8         A  15   3.375  19.654   6.756
  159   1H6     A  15          1H6         A  15   9.053  18.169   8.737
  160   2H6     A  15          2H6         A  15   7.327  17.835   8.864
  161    H2     A  15           H2         A  15   9.457  21.428   5.704
  162   1H5*    C  16          1H5*        C  16   1.706  21.275   0.462
  163   2H5*    C  16          2H5*        C  16   1.649  22.713  -0.531
  164    H4*    C  16           H4*        C  16   0.166  21.004  -1.304
  165    H3*    C  16           H3*        C  16  -0.607  23.652  -1.167
  166    H2*    C  16           H2*        C  16  -1.577  23.530   1.012
  167   2HO*    C  16          2HO*        C  16  -3.431  23.107  -1.042
  168    H1*    C  16           H1*        C  16  -2.982  20.963   0.257
  169   1H4     C  16          1H4         C  16  -3.856  21.562   6.645
  170   2H4     C  16          2H4         C  16  -2.129  21.385   6.922
  171    H5     C  16           H5         C  16  -0.553  21.071   5.025
  172    H6     C  16           H6         C  16  -0.296  21.062   2.677
  173   1H5*    G  17          1H5*        G  17   0.882  21.687  -5.058
  174   2H5*    G  17          2H5*        G  17   0.116  20.081  -5.075
  175    H4*    G  17           H4*        G  17   2.739  20.459  -4.927
  176    H3*    G  17           H3*        G  17   1.236  18.299  -3.416
  177    H2*    G  17           H2*        G  17   3.409  17.533  -2.820
  178   2HO*    G  17          2HO*        G  17   3.970  17.990  -5.209
  179    H1*    G  17           H1*        G  17   4.555  20.154  -2.867
  180    H8     G  17           H8         G  17   5.776  19.414  -0.710
  181    H1     G  17           H1         G  17   0.337  17.667   2.178
  182   1H2     G  17          1H2         G  17  -1.344  17.630   0.718
  183   2H2     G  17          2H2         G  17  -1.118  18.136  -0.947
  184   1H5*    G  18          1H5*        G  18   3.444  15.871  -4.560
  185   2H5*    G  18          2H5*        G  18   2.765  14.291  -4.918
  186    H4*    G  18           H4*        G  18   4.049  14.837  -2.637
  187    H3*    G  18           H3*        G  18   1.566  13.112  -2.774
  188    H2*    G  18           H2*        G  18   1.882  12.788  -0.397
  189   2HO*    G  18          2HO*        G  18   4.299  12.822  -0.816
  190    H1*    G  18           H1*        G  18   2.396  15.415   0.159
  191    H8     G  18           H8         G  18  -0.320  15.124  -2.518
  192    H1     G  18           H1         G  18  -2.397  14.211   3.509
  193   1H2     G  18          1H2         G  18  -0.622  13.903   4.867
  194   2H2     G  18          2H2         G  18   1.023  14.057   4.270
  195   1H5*    U  19          1H5*        U  19   4.570  11.087  -0.258
  196   2H5*    U  19          2H5*        U  19   4.385   9.337  -0.363
  197    H4*    U  19           H4*        U  19   4.097  10.375   1.937
  198    H3*    U  19           H3*        U  19   1.842   8.673   0.825
  199    H2*    U  19           H2*        U  19   0.854   8.891   3.021
  200   2HO*    U  19          2HO*        U  19   2.969   8.747   4.064
  201    H1*    U  19           H1*        U  19   1.276  11.571   3.207
  202    H3     U  19           H3         U  19  -3.222  11.294   2.384
  203    H5     U  19           H5         U  19  -1.388  11.056  -1.394
  204    H6     U  19           H6         U  19   0.718  10.777  -0.310
  205   1H5*    A  20          1H5*        A  20   3.298   6.686   4.454
  206   2H5*    A  20          2H5*        A  20   3.004   4.937   4.369
  207    H4*    A  20           H4*        A  20   1.803   6.102   6.213
  208    H3*    A  20           H3*        A  20   0.000   4.743   4.147
  209    H2*    A  20           H2*        A  20  -1.775   5.336   5.575
  210   2HO*    A  20          2HO*        A  20  -0.235   5.124   7.508
  211    H1*    A  20           H1*        A  20  -1.126   7.784   5.920
  212    H8     A  20           H8         A  20   0.078   6.987   2.338
  213   1H6     A  20          1H6         A  20  -5.502   8.768   0.461
  214   2H6     A  20          2H6         A  20  -3.875   8.306   0.026
  215    H2     A  20           H2         A  20  -5.638   8.310   4.962
  216   1H5*    C  21          1H5*        C  21  -1.550   3.942   7.738
  217   2H5*    C  21          2H5*        C  21  -1.983   2.325   7.991
  218    H4*    C  21           H4*        C  21  -3.897   3.797   8.316
  219    H3*    C  21           H3*        C  21  -4.220   2.074   5.821
  220    H2*    C  21           H2*        C  21  -6.396   3.066   5.632
  221   2HO*    C  21          2HO*        C  21  -6.571   3.057   8.044
  222    H1*    C  21           H1*        C  21  -5.497   5.618   6.043
  223   1H4     C  21          1H4         C  21  -5.361   5.419  -0.199
  224   2H4     C  21          2H4         C  21  -3.693   4.875  -0.211
  225    H5     C  21           H5         C  21  -2.529   4.156   1.913
  226    H6     C  21           H6         C  21  -2.768   3.981   4.279
  227   1H5*    C  22          1H5*        C  22  -7.787   1.433   8.162
  228   2H5*    C  22          2H5*        C  22  -8.382  -0.228   7.959
  229    H4*    C  22           H4*        C  22  -9.971   1.563   7.141
  230    H3*    C  22           H3*        C  22  -8.906  -0.437   5.117
  231    H2*    C  22           H2*        C  22 -10.362   0.586   3.524
  232   2HO*    C  22          2HO*        C  22 -11.965   0.862   5.376
  233    H1*    C  22           H1*        C  22  -9.823   3.173   4.307
  234   1H4     C  22          1H4         C  22  -6.296   2.413  -0.846
  235   2H4     C  22          2H4         C  22  -4.959   1.740   0.066
  236    H5     C  22           H5         C  22  -5.146   1.300   2.553
  237    H6     C  22           H6         C  22  -6.632   1.366   4.424
  238   1H5*    U  23          1H5*        U  23 -13.012  -0.463   4.180
  239   2H5*    U  23          2H5*        U  23 -13.517  -2.122   3.818
  240    H4*    U  23           H4*        U  23 -13.800  -0.557   1.901
  241    H3*    U  23           H3*        U  23 -11.796  -2.801   1.513
  242    H2*    U  23           H2*        U  23 -11.696  -2.073  -0.804
  243   2HO*    U  23          2HO*        U  23 -13.993  -1.631  -0.900
  244    H1*    U  23           H1*        U  23 -11.599   0.582  -0.185
  245    H3     U  23           H3         U  23  -7.448  -0.221  -1.763
  246    H5     U  23           H5         U  23  -7.389  -1.837   2.128
  247    H6     U  23           H6         U  23  -9.756  -1.426   2.280
  248   1H5*    U  24          1H5*        U  24 -14.937  -2.871  -1.713
  249   2H5*    U  24          2H5*        U  24 -15.119  -4.529  -2.308
  250    H4*    U  24           H4*        U  24 -14.492  -2.835  -4.076
  251    H3*    U  24           H3*        U  24 -12.560  -5.116  -3.554
  252    H2*    U  24           H2*        U  24 -11.406  -4.335  -5.540
  253   2HO*    U  24          2HO*        U  24 -13.570  -3.798  -6.505
  254    H1*    U  24           H1*        U  24 -11.544  -1.682  -4.807
  255    H3     U  24           H3         U  24  -7.152  -2.687  -4.349
  256    H5     U  24           H5         U  24  -8.937  -4.397  -0.959
  257    H6     U  24           H6         U  24 -11.114  -3.949  -1.920
  258   1H5*    U  25          1H5*        U  25 -13.318  -5.262  -7.784
  259   2H5*    U  25          2H5*        U  25 -13.324  -6.954  -8.308
  260    H4*    U  25           H4*        U  25 -11.605  -5.591  -9.470
  261    H3*    U  25           H3*        U  25 -10.486  -7.757  -7.650
  262    H2*    U  25           H2*        U  25  -8.403  -7.277  -8.662
  263   2HO*    U  25          2HO*        U  25  -8.161  -6.050 -10.446
  264    H1*    U  25           H1*        U  25  -8.720  -4.545  -8.456
  265    H3     U  25           H3         U  25  -5.468  -5.800  -5.483
  266    H5     U  25           H5         U  25  -9.069  -6.647  -3.520
  267    H6     U  25           H6         U  25 -10.259  -6.191  -5.578
  268   1H5*    G  26          1H5*        G  26  -9.113  -8.563 -11.533
  269   2H5*    G  26          2H5*        G  26  -8.910 -10.296 -11.860
  270    H4*    G  26           H4*        G  26  -6.800  -8.934 -12.050
  271    H3*    G  26           H3*        G  26  -6.898 -11.130  -9.965
  272    H2*    G  26           H2*        G  26  -4.569 -10.644  -9.516
  273   2HO*    G  26          2HO*        G  26  -4.330 -10.200 -11.914
  274    H1*    G  26           H1*        G  26  -4.914  -7.915  -9.488
  275    H8     G  26           H8         G  26  -7.997  -9.141  -7.716
  276    H1     G  26           H1         G  26  -2.628  -9.578  -4.200
  277   1H2     G  26          1H2         G  26  -0.811  -9.588  -5.608
  278   2H2     G  26          2H2         G  26  -1.030  -9.310  -7.330
  279   1H5*    U  27          1H5*        U  27  -3.184 -11.704 -12.227
  280   2H5*    U  27          2H5*        U  27  -2.937 -13.434 -12.515
  281    H4*    U  27           H4*        U  27  -1.028 -12.311 -11.297
  282    H3*    U  27           H3*        U  27  -2.523 -14.552  -9.914
  283    H2*    U  27           H2*        U  27  -0.926 -14.367  -8.156
  284   2HO*    U  27          2HO*        U  27   0.855 -14.138  -9.694
  285    H1*    U  27           H1*        U  27  -0.743 -11.600  -8.209
  286    H3     U  27           H3         U  27  -2.355 -12.685  -4.087
  287    H5     U  27           H5         U  27  -5.688 -12.943  -6.659
  288    H6     U  27           H6         U  27  -4.206 -12.688  -8.538
  289   1H5*    G  28          1H5*        G  28   0.108 -18.526  -9.134
  290   2H5*    G  28          2H5*        G  28  -0.731 -17.966  -7.702
  291    H4*    G  28           H4*        G  28   1.842 -17.039  -8.666
  292    H3*    G  28           H3*        G  28   0.808 -18.381  -6.253
  293    H2*    G  28           H2*        G  28   2.112 -17.102  -4.791
  294   2HO*    G  28          2HO*        G  28   3.722 -15.670  -5.478
  295    H1*    G  28           H1*        G  28   1.557 -14.667  -5.819
  296    H8     G  28           H8         G  28  -1.661 -16.014  -6.803
  297    H1     G  28           H1         G  28  -1.238 -15.576  -0.406
  298   1H2     G  28          1H2         G  28   0.939 -15.330   0.206
  299   2H2     G  28          2H2         G  28   2.193 -15.149  -1.010
  300   1H5*    U  29          1H5*        U  29   4.550 -18.414  -5.097
  301   2H5*    U  29          2H5*        U  29   5.170 -20.027  -4.697
  302    H4*    U  29           H4*        U  29   5.277 -18.527  -2.752
  303    H3*    U  29           H3*        U  29   3.278 -20.807  -2.510
  304    H2*    U  29           H2*        U  29   2.907 -20.138  -0.269
  305   2HO*    U  29          2HO*        U  29   5.297 -19.523  -0.197
  306    H1*    U  29           H1*        U  29   2.684 -17.482  -0.838
  307    H3     U  29           H3         U  29  -1.647 -18.935  -0.094
  308    H5     U  29           H5         U  29  -0.939 -19.386  -4.199
  309    H6     U  29           H6         U  29   1.356 -18.920  -3.834
  310   1H5*    C  30          1H5*        C  30   5.785 -21.118   0.766
  311   2H5*    C  30          2H5*        C  30   6.219 -22.802   1.110
  312    H4*    C  30           H4*        C  30   5.104 -21.703   3.010
  313    H3*    C  30           H3*        C  30   3.500 -23.914   1.661
  314    H2*    C  30           H2*        C  30   1.953 -23.737   3.474
  315   2HO*    C  30          2HO*        C  30   4.023 -23.344   4.867
  316    H1*    C  30           H1*        C  30   2.155 -20.947   3.637
  317   1H4     C  30          1H4         C  30  -3.321 -21.659   0.640
  318   2H4     C  30          2H4         C  30  -2.544 -21.807  -0.924
  319    H5     C  30           H5         C  30  -0.030 -22.170  -1.101
  320    H6     C  30           H6         C  30   2.017 -22.141   0.162
  321    H3T    C  30           HE         C  30   4.478 -25.193   3.149
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1 -11.436 -22.223   8.515
    2   2H5*    G   1          2H5*        G   1 -11.468 -20.451   8.586
    3    H4*    G   1           H4*        G   1  -9.401 -21.347   9.578
    4    H3*    G   1           H3*        G   1  -9.026 -19.804   7.000
    5    H2*    G   1           H2*        G   1  -6.659 -19.981   7.426
    6   2HO*    G   1          2HO*        G   1  -7.132 -19.737   9.801
    7    H1*    G   1           H1*        G   1  -6.734 -22.613   8.113
    8    H8     G   1           H8         G   1  -9.228 -22.144   5.276
    9    H1     G   1           H1         G   1  -3.093 -22.155   3.349
   10   1H2     G   1          1H2         G   1  -1.736 -21.977   5.176
   11   2H2     G   1          2H2         G   1  -2.408 -21.940   6.802
   12   1H5*    G   2          1H5*        G   2  -6.304 -18.097   9.906
   13   2H5*    G   2          2H5*        G   2  -6.170 -16.355   9.630
   14    H4*    G   2           H4*        G   2  -3.968 -17.605   9.428
   15    H3*    G   2           H3*        G   2  -4.950 -16.179   6.945
   16    H2*    G   2           H2*        G   2  -2.752 -16.633   6.147
   17   2HO*    G   2          2HO*        G   2  -1.853 -16.217   8.350
   18    H1*    G   2           H1*        G   2  -2.698 -19.228   7.122
   19    H8     G   2           H8         G   2  -6.090 -18.663   5.554
   20    H1     G   2           H1         G   2  -1.293 -18.936   1.251
   21   1H2     G   2          1H2         G   2   0.661 -18.873   2.301
   22   2H2     G   2          2H2         G   2   0.762 -18.846   4.058
   23   1H5*    C   3          1H5*        C   3  -1.244 -14.631   8.310
   24   2H5*    C   3          2H5*        C   3  -0.906 -12.963   7.872
   25    H4*    C   3           H4*        C   3   0.621 -14.851   6.977
   26    H3*    C   3           H3*        C   3  -0.625 -12.805   5.077
   27    H2*    C   3           H2*        C   3   0.581 -13.807   3.290
   28   2HO*    C   3          2HO*        C   3   2.466 -14.023   4.780
   29    H1*    C   3           H1*        C   3   0.189 -16.408   4.120
   30   1H4     C   3          1H4         C   3  -4.141 -15.604  -0.429
   31   2H4     C   3          2H4         C   3  -5.291 -14.957   0.720
   32    H5     C   3           H5         C   3  -4.659 -14.462   3.096
   33    H6     C   3           H6         C   3  -2.866 -14.542   4.685
   34   1H5*    A   4          1H5*        A   4   1.598  -8.802   4.249
   35   2H5*    A   4          2H5*        A   4   0.437  -9.413   3.073
   36    H4*    A   4           H4*        A   4   3.188 -10.492   3.755
   37    H3*    A   4           H3*        A   4   1.809  -9.281   1.391
   38    H2*    A   4           H2*        A   4   2.530 -10.842  -0.190
   39   2HO*    A   4          2HO*        A   4   4.675 -10.760   1.114
   40    H1*    A   4           H1*        A   4   2.257 -13.103   1.268
   41    H8     A   4           H8         A   4  -0.663 -11.518   2.753
   42   1H6     A   4          1H6         A   4  -3.831 -13.037  -2.328
   43   2H6     A   4          2H6         A   4  -3.889 -12.504  -0.659
   44    H2     A   4           H2         A   4   0.555 -13.343  -3.302
   45   1H5*    C   5          1H5*        C   5   5.373  -8.332  -0.333
   46   2H5*    C   5          2H5*        C   5   5.308  -6.650  -0.895
   47    H4*    C   5           H4*        C   5   5.078  -8.334  -2.729
   48    H3*    C   5           H3*        C   5   2.634  -6.604  -2.222
   49    H2*    C   5           H2*        C   5   1.724  -7.630  -4.203
   50   2HO*    C   5          2HO*        C   5   3.992  -7.558  -5.130
   51    H1*    C   5           H1*        C   5   2.582 -10.176  -3.568
   52   1H4     C   5          1H4         C   5  -3.568  -9.569  -2.040
   53   2H4     C   5          2H4         C   5  -3.203  -8.737  -0.541
   54    H5     C   5           H5         C   5  -0.820  -8.253   0.154
   55    H6     C   5           H6         C   5   1.465  -8.301  -0.607
   56   1H5*    U   6          1H5*        U   6   3.290  -6.098  -6.329
   57   2H5*    U   6          2H5*        U   6   2.948  -4.465  -6.908
   58    H4*    U   6           H4*        U   6   1.552  -6.301  -7.939
   59    H3*    U   6           H3*        U   6   0.125  -4.077  -6.467
   60    H2*    U   6           H2*        U   6  -1.957  -5.110  -7.033
   61   2HO*    U   6          2HO*        U   6  -0.983  -5.665  -9.179
   62    H1*    U   6           H1*        U   6  -1.182  -7.658  -6.509
   63    H3     U   6           H3         U   6  -4.205  -6.444  -3.295
   64    H5     U   6           H5         U   6  -0.403  -5.506  -1.752
   65    H6     U   6           H6         U   6   0.512  -5.823  -3.926
   66   1H5*    C   7          1H5*        C   7  -0.739  -3.229 -10.777
   67   2H5*    C   7          2H5*        C   7  -0.916  -1.506 -11.160
   68    H4*    C   7           H4*        C   7  -3.129  -2.702 -10.720
   69    H3*    C   7           H3*        C   7  -2.311  -0.494  -8.803
   70    H2*    C   7           H2*        C   7  -4.450  -0.746  -7.827
   71   2HO*    C   7          2HO*        C   7  -5.675  -0.742  -9.728
   72    H1*    C   7           H1*        C   7  -4.574  -3.544  -8.376
   73   1H4     C   7          1H4         C   7  -4.166  -3.191  -2.112
   74   2H4     C   7          2H4         C   7  -2.415  -3.031  -2.115
   75    H5     C   7           H5         C   7  -1.150  -2.793  -4.355
   76    H6     C   7           H6         C   7  -1.481  -2.586  -6.717
   77   1H5*    U   8          1H5*        U   8  -6.196   0.193 -11.448
   78   2H5*    U   8          2H5*        U   8  -6.357   1.950 -11.625
   79    H4*    U   8           H4*        U   8  -8.498   0.824 -10.997
   80    H3*    U   8           H3*        U   8  -7.331   2.790  -8.999
   81    H2*    U   8           H2*        U   8  -9.400   2.522  -7.786
   82   2HO*    U   8          2HO*        U   8 -10.561   2.435  -9.895
   83    H1*    U   8           H1*        U   8  -9.506  -0.214  -8.097
   84    H3     U   8           H3         U   8  -8.701   0.398  -3.636
   85    H5     U   8           H5         U   8  -4.943   0.782  -5.499
   86    H6     U   8           H6         U   8  -6.048   0.846  -7.634
   87   1H5*    G   9          1H5*        G   9 -11.445   4.228  -9.807
   88   2H5*    G   9          2H5*        G   9 -11.470   5.988  -9.590
   89    H4*    G   9           H4*        G   9 -12.972   4.716  -8.017
   90    H3*    G   9           H3*        G   9 -10.735   6.351  -6.791
   91    H2*    G   9           H2*        G   9 -11.696   5.768  -4.639
   92   2HO*    G   9          2HO*        G   9 -13.894   5.906  -5.629
   93    H1*    G   9           H1*        G   9 -11.989   3.122  -5.235
   94    H8     G   9           H8         G   9  -8.730   4.374  -6.833
   95    H1     G   9           H1         G   9  -8.321   3.151  -0.538
   96   1H2     G   9          1H2         G   9 -10.416   3.047   0.345
   97   2H2     G   9          2H2         G   9 -11.815   3.003  -0.718
   98   1H5*    G  10          1H5*        G  10 -14.536   7.455  -4.780
   99   2H5*    G  10          2H5*        G  10 -14.467   9.142  -4.253
  100    H4*    G  10           H4*        G  10 -14.844   7.404  -2.428
  101    H3*    G  10           H3*        G  10 -12.489   9.293  -2.223
  102    H2*    G  10           H2*        G  10 -12.080   8.322  -0.041
  103   2HO*    G  10          2HO*        G  10 -14.487   8.187   0.253
  104    H1*    G  10           H1*        G  10 -12.446   5.733  -0.849
  105    H8     G  10           H8         G  10 -10.570   7.363  -3.700
  106    H1     G  10           H1         G  10  -6.907   6.091   1.428
  107   1H2     G  10          1H2         G  10  -8.241   5.840   3.257
  108   2H2     G  10          2H2         G  10  -9.992   5.766   3.084
  109   1H5*    U  11          1H5*        U  11 -14.650   9.490   1.658
  110   2H5*    U  11          2H5*        U  11 -14.555  11.148   2.279
  111    H4*    U  11           H4*        U  11 -13.516   9.400   3.812
  112    H3*    U  11           H3*        U  11 -11.683  11.573   2.796
  113    H2*    U  11           H2*        U  11 -10.104  10.605   4.339
  114   2HO*    U  11          2HO*        U  11 -11.749  10.193   5.952
  115    H1*    U  11           H1*        U  11 -10.581   8.033   3.600
  116    H3     U  11           H3         U  11  -6.459   9.305   2.104
  117    H5     U  11           H5         U  11  -9.159  10.566  -0.879
  118    H6     U  11           H6         U  11 -10.961  10.090   0.620
  119   1H5*    A  12          1H5*        A  12 -13.048  12.736   7.042
  120   2H5*    A  12          2H5*        A  12 -12.533  14.362   7.510
  121    H4*    A  12           H4*        A  12 -11.075  12.415   8.299
  122    H3*    A  12           H3*        A  12  -9.831  14.659   6.723
  123    H2*    A  12           H2*        A  12  -7.725  13.612   7.199
  124   2HO*    A  12          2HO*        A  12  -8.193  13.126   9.390
  125    H1*    A  12           H1*        A  12  -8.643  11.026   6.681
  126    H8     A  12           H8         A  12 -10.130  13.365   4.178
  127   1H6     A  12          1H6         A  12  -4.940  12.674   0.884
  128   2H6     A  12          2H6         A  12  -6.623  13.179   0.877
  129    H2     A  12           H2         A  12  -4.086  11.372   5.093
  130   1H5*    U  13          1H5*        U  13  -6.691  16.204  11.077
  131   2H5*    U  13          2H5*        U  13  -6.719  16.771   9.410
  132    H4*    U  13           H4*        U  13  -5.117  14.503  10.606
  133    H3*    U  13           H3*        U  13  -4.735  16.900   8.802
  134    H2*    U  13           H2*        U  13  -2.951  15.920   7.661
  135   2HO*    U  13          2HO*        U  13  -1.965  14.011   8.348
  136    H1*    U  13           H1*        U  13  -4.132  13.463   7.368
  137    H3     U  13           H3         U  13  -4.538  15.172   3.185
  138    H5     U  13           H5         U  13  -7.948  16.409   5.336
  139    H6     U  13           H6         U  13  -6.790  15.860   7.364
  140   1H5*    C  14          1H5*        C  14  -1.088  16.742   9.632
  141   2H5*    C  14          2H5*        C  14  -0.434  18.286  10.215
  142    H4*    C  14           H4*        C  14   0.718  17.790   8.194
  143    H3*    C  14           H3*        C  14  -1.486  19.740   7.516
  144    H2*    C  14           H2*        C  14  -0.313  19.892   5.357
  145   2HO*    C  14          2HO*        C  14   1.585  18.812   4.982
  146    H1*    C  14           H1*        C  14  -0.363  17.200   5.098
  147   1H4     C  14          1H4         C  14  -5.994  19.170   2.813
  148   2H4     C  14          2H4         C  14  -6.699  19.216   4.415
  149    H5     C  14           H5         C  14  -5.349  18.701   6.461
  150    H6     C  14           H6         C  14  -3.170  18.174   7.251
  151   1H5*    A  15          1H5*        A  15  -0.521  23.144   6.137
  152   2H5*    A  15          2H5*        A  15   0.646  21.818   5.959
  153    H4*    A  15           H4*        A  15   0.941  24.748   5.427
  154    H3*    A  15           H3*        A  15   0.808  22.616   3.740
  155    H2*    A  15           H2*        A  15   2.400  21.241   4.774
  156   2HO*    A  15          2HO*        A  15   3.381  21.294   2.761
  157    H1*    A  15           H1*        A  15   4.298  23.501   5.017
  158    H8     A  15           H8         A  15   2.635  20.678   7.072
  159   1H6     A  15          1H6         A  15   8.067  20.280  10.010
  160   2H6     A  15          2H6         A  15   6.451  19.603   9.827
  161    H2     A  15           H2         A  15   8.311  23.684   7.125
  162   1H5*    C  16          1H5*        C  16   1.150  22.380   0.791
  163   2H5*    C  16          2H5*        C  16   1.172  23.824  -0.198
  164    H4*    C  16           H4*        C  16  -0.162  22.146  -1.228
  165    H3*    C  16           H3*        C  16  -1.202  24.662  -1.077
  166    H2*    C  16           H2*        C  16  -2.253  24.365   1.044
  167   2HO*    C  16          2HO*        C  16  -4.560  23.784   0.513
  168    H1*    C  16           H1*        C  16  -3.378  21.717   0.156
  169   1H4     C  16          1H4         C  16  -4.653  22.078   6.480
  170   2H4     C  16          2H4         C  16  -2.954  21.861   6.854
  171    H5     C  16           H5         C  16  -1.269  21.616   5.042
  172    H6     C  16           H6         C  16  -0.835  21.778   2.731
  173   1H5*    G  17          1H5*        G  17  -0.527  21.097  -4.690
  174   2H5*    G  17          2H5*        G  17  -0.541  20.963  -2.930
  175    H4*    G  17           H4*        G  17   1.895  21.602  -4.676
  176    H3*    G  17           H3*        G  17   1.040  19.171  -3.066
  177    H2*    G  17           H2*        G  17   3.274  18.774  -2.511
  178   2HO*    G  17          2HO*        G  17   3.679  19.314  -4.944
  179    H1*    G  17           H1*        G  17   4.084  21.500  -2.590
  180    H8     G  17           H8         G  17   5.291  20.999  -0.321
  181    H1     G  17           H1         G  17  -0.050  18.660   2.332
  182   1H2     G  17          1H2         G  17  -1.653  18.426   0.810
  183   2H2     G  17          2H2         G  17  -1.404  18.931  -0.849
  184   1H5*    G  18          1H5*        G  18   3.543  17.076  -4.148
  185   2H5*    G  18          2H5*        G  18   3.092  15.399  -4.478
  186    H4*    G  18           H4*        G  18   4.247  16.085  -2.194
  187    H3*    G  18           H3*        G  18   1.893  14.197  -2.376
  188    H2*    G  18           H2*        G  18   2.111  13.915   0.006
  189   2HO*    G  18          2HO*        G  18   4.544  14.102  -0.298
  190    H1*    G  18           H1*        G  18   2.431  16.585   0.555
  191    H8     G  18           H8         G  18  -0.121  16.119  -2.242
  192    H1     G  18           H1         G  18  -2.420  14.735   3.609
  193   1H2     G  18          1H2         G  18  -0.701  14.507   5.047
  194   2H2     G  18          2H2         G  18   0.951  14.859   4.565
  195   1H5*    U  19          1H5*        U  19   4.832  12.344   0.274
  196   2H5*    U  19          2H5*        U  19   4.789  10.588   0.110
  197    H4*    U  19           H4*        U  19   4.299  11.518   2.414
  198    H3*    U  19           H3*        U  19   2.220   9.706   1.134
  199    H2*    U  19           H2*        U  19   1.122   9.790   3.284
  200   2HO*    U  19          2HO*        U  19   3.160   9.748   4.448
  201    H1*    U  19           H1*        U  19   1.332  12.480   3.560
  202    H3     U  19           H3         U  19  -3.081  11.715   2.468
  203    H5     U  19           H5         U  19  -1.019  12.002  -1.191
  204    H6     U  19           H6         U  19   1.034  11.912  -0.002
  205   1H5*    A  20          1H5*        A  20   3.687   7.687   4.755
  206   2H5*    A  20          2H5*        A  20   3.493   5.930   4.641
  207    H4*    A  20           H4*        A  20   2.182   7.023   6.461
  208    H3*    A  20           H3*        A  20   0.489   5.573   4.359
  209    H2*    A  20           H2*        A  20  -1.336   6.079   5.760
  210   2HO*    A  20          2HO*        A  20   0.189   5.965   7.722
  211    H1*    A  20           H1*        A  20  -0.832   8.567   6.076
  212    H8     A  20           H8         A  20   0.538   7.850   2.543
  213   1H6     A  20          1H6         A  20  -5.105   9.050   0.448
  214   2H6     A  20          2H6         A  20  -3.434   8.699   0.083
  215    H2     A  20           H2         A  20  -5.353   8.746   4.960
  216   1H5*    C  21          1H5*        C  21  -1.126   4.713   7.892
  217   2H5*    C  21          2H5*        C  21  -1.518   3.079   8.128
  218    H4*    C  21           H4*        C  21  -3.473   4.509   8.391
  219    H3*    C  21           H3*        C  21  -3.690   2.731   5.922
  220    H2*    C  21           H2*        C  21  -5.907   3.622   5.714
  221   2HO*    C  21          2HO*        C  21  -6.110   3.677   8.115
  222    H1*    C  21           H1*        C  21  -5.113   6.209   6.023
  223   1H4     C  21          1H4         C  21  -4.841   5.617  -0.208
  224   2H4     C  21          2H4         C  21  -3.141   5.188  -0.155
  225    H5     C  21           H5         C  21  -1.971   4.723   2.036
  226    H6     C  21           H6         C  21  -2.251   4.690   4.406
  227   1H5*    C  22          1H5*        C  22  -7.218   2.050   8.305
  228   2H5*    C  22          2H5*        C  22  -7.788   0.374   8.166
  229    H4*    C  22           H4*        C  22  -9.415   2.122   7.317
  230    H3*    C  22           H3*        C  22  -8.366   0.047   5.365
  231    H2*    C  22           H2*        C  22  -9.871   0.985   3.754
  232   2HO*    C  22          2HO*        C  22 -11.429   1.340   5.631
  233    H1*    C  22           H1*        C  22  -9.321   3.605   4.389
  234   1H4     C  22          1H4         C  22  -5.866   2.562  -0.763
  235   2H4     C  22          2H4         C  22  -4.510   1.955   0.158
  236    H5     C  22           H5         C  22  -4.636   1.733   2.690
  237    H6     C  22           H6         C  22  -6.091   1.894   4.571
  238   1H5*    U  23          1H5*        U  23 -12.460  -0.041   4.437
  239   2H5*    U  23          2H5*        U  23 -12.959  -1.721   4.186
  240    H4*    U  23           H4*        U  23 -13.260  -0.295   2.170
  241    H3*    U  23           H3*        U  23 -11.226  -2.534   1.923
  242    H2*    U  23           H2*        U  23 -11.159  -1.968  -0.440
  243   2HO*    U  23          2HO*        U  23 -13.494  -1.544  -0.457
  244    H1*    U  23           H1*        U  23 -11.100   0.736   0.003
  245    H3     U  23           H3         U  23  -6.968  -0.190  -1.597
  246    H5     U  23           H5         U  23  -6.835  -1.482   2.414
  247    H6     U  23           H6         U  23  -9.198  -1.056   2.577
  248   1H5*    U  24          1H5*        U  24 -14.358  -2.814  -1.251
  249   2H5*    U  24          2H5*        U  24 -14.562  -4.498  -1.748
  250    H4*    U  24           H4*        U  24 -13.945  -2.882  -3.603
  251    H3*    U  24           H3*        U  24 -12.088  -5.211  -3.028
  252    H2*    U  24           H2*        U  24 -10.962  -4.566  -5.080
  253   2HO*    U  24          2HO*        U  24 -13.146  -4.021  -5.997
  254    H1*    U  24           H1*        U  24 -11.029  -1.862  -4.495
  255    H3     U  24           H3         U  24  -6.624  -2.928  -4.173
  256    H5     U  24           H5         U  24  -8.295  -4.471  -0.650
  257    H6     U  24           H6         U  24 -10.505  -3.999  -1.525
  258   1H5*    U  25          1H5*        U  25 -13.161  -5.503  -7.213
  259   2H5*    U  25          2H5*        U  25 -13.288  -7.210  -7.671
  260    H4*    U  25           H4*        U  25 -11.610  -5.965  -9.013
  261    H3*    U  25           H3*        U  25 -10.466  -8.154  -7.229
  262    H2*    U  25           H2*        U  25  -8.418  -7.779  -8.388
  263   2HO*    U  25          2HO*        U  25  -9.637  -7.459 -10.427
  264    H1*    U  25           H1*        U  25  -8.599  -5.037  -8.268
  265    H3     U  25           H3         U  25  -5.238  -6.147  -5.377
  266    H5     U  25           H5         U  25  -8.749  -6.897  -3.219
  267    H6     U  25           H6         U  25 -10.024  -6.545  -5.239
  268   1H5*    G  26          1H5*        G  26  -9.482  -9.353 -11.226
  269   2H5*    G  26          2H5*        G  26  -9.394 -11.121 -11.346
  270    H4*    G  26           H4*        G  26  -7.237  -9.891 -11.807
  271    H3*    G  26           H3*        G  26  -7.282 -11.850  -9.492
  272    H2*    G  26           H2*        G  26  -4.895 -11.453  -9.327
  273   2HO*    G  26          2HO*        G  26  -4.808 -11.323 -11.740
  274    H1*    G  26           H1*        G  26  -5.117  -8.729  -9.563
  275    H8     G  26           H8         G  26  -8.055  -9.663  -7.399
  276    H1     G  26           H1         G  26  -2.401 -10.079  -4.359
  277   1H2     G  26          1H2         G  26  -0.724 -10.192  -5.914
  278   2H2     G  26          2H2         G  26  -1.073  -9.944  -7.619
  279   1H5*    U  27          1H5*        U  27  -3.914 -12.992 -12.138
  280   2H5*    U  27          2H5*        U  27  -3.689 -14.747 -12.122
  281    H4*    U  27           H4*        U  27  -1.684 -13.369 -11.368
  282    H3*    U  27           H3*        U  27  -2.832 -15.391  -9.412
  283    H2*    U  27           H2*        U  27  -1.059 -14.791  -7.951
  284   2HO*    U  27          2HO*        U  27   0.413 -14.649  -9.861
  285    H1*    U  27           H1*        U  27  -1.213 -12.106  -8.352
  286    H3     U  27           H3         U  27  -2.369 -13.273  -4.065
  287    H5     U  27           H5         U  27  -5.922 -13.544  -6.328
  288    H6     U  27           H6         U  27  -4.607 -13.327  -8.322
  289   1H5*    G  28          1H5*        G  28  -0.799 -19.659  -9.540
  290   2H5*    G  28          2H5*        G  28  -1.611 -19.244  -8.048
  291    H4*    G  28           H4*        G  28   0.869 -18.152  -9.082
  292    H3*    G  28           H3*        G  28  -0.067 -19.465  -6.593
  293    H2*    G  28           H2*        G  28   1.315 -18.152  -5.228
  294   2HO*    G  28          2HO*        G  28   2.907 -16.777  -6.029
  295    H1*    G  28           H1*        G  28   0.747 -15.740  -6.325
  296    H8     G  28           H8         G  28  -2.549 -17.030  -7.019
  297    H1     G  28           H1         G  28  -1.715 -16.171  -0.703
  298   1H2     G  28          1H2         G  28   0.498 -16.022  -0.231
  299   2H2     G  28          2H2         G  28   1.694 -16.014  -1.515
  300   1H5*    U  29          1H5*        U  29   3.748 -19.518  -5.656
  301   2H5*    U  29          2H5*        U  29   4.358 -21.125  -5.220
  302    H4*    U  29           H4*        U  29   4.575 -19.572  -3.332
  303    H3*    U  29           H3*        U  29   2.501 -21.759  -2.922
  304    H2*    U  29           H2*        U  29   2.276 -20.983  -0.691
  305   2HO*    U  29          2HO*        U  29   4.678 -20.480  -0.730
  306    H1*    U  29           H1*        U  29   2.131 -18.347  -1.365
  307    H3     U  29           H3         U  29  -2.213 -19.542  -0.327
  308    H5     U  29           H5         U  29  -1.729 -20.372  -4.403
  309    H6     U  29           H6         U  29   0.602 -19.973  -4.188
  310   1H5*    C  30          1H5*        C  30   5.247 -22.069   0.206
  311   2H5*    C  30          2H5*        C  30   5.583 -23.756   0.632
  312    H4*    C  30           H4*        C  30   4.655 -22.412   2.511
  313    H3*    C  30           H3*        C  30   2.925 -24.695   1.475
  314    H2*    C  30           H2*        C  30   1.436 -24.270   3.273
  315   2HO*    C  30          2HO*        C  30   2.051 -22.948   5.030
  316    H1*    C  30           H1*        C  30   1.789 -21.469   3.212
  317   1H4     C  30          1H4         C  30  -3.911 -22.223   0.686
  318   2H4     C  30          2H4         C  30  -3.252 -22.485  -0.916
  319    H5     C  30           H5         C  30  -0.766 -22.933  -1.246
  320    H6     C  30           H6         C  30   1.365 -22.911  -0.130
  321    H3T    C  30           HE         C  30   4.237 -24.555   3.935
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1 -11.184 -23.739   6.220
    2   2H5*    G   1          2H5*        G   1 -11.619 -22.050   6.533
    3    H4*    G   1           H4*        G   1  -9.610 -22.580   7.775
    4    H3*    G   1           H3*        G   1  -9.013 -20.837   5.373
    5    H2*    G   1           H2*        G   1  -6.797 -20.642   6.277
    6   2HO*    G   1          2HO*        G   1  -7.749 -20.657   8.516
    7    H1*    G   1           H1*        G   1  -6.538 -23.297   6.788
    8    H8     G   1           H8         G   1  -8.552 -23.138   3.592
    9    H1     G   1           H1         G   1  -2.361 -21.631   2.731
   10   1H2     G   1          1H2         G   1  -1.369 -21.344   4.766
   11   2H2     G   1          2H2         G   1  -2.270 -21.588   6.258
   12   1H5*    G   2          1H5*        G   2  -7.326 -18.874   8.702
   13   2H5*    G   2          2H5*        G   2  -7.485 -17.121   8.550
   14    H4*    G   2           H4*        G   2  -5.090 -17.951   8.734
   15    H3*    G   2           H3*        G   2  -5.844 -16.463   6.203
   16    H2*    G   2           H2*        G   2  -3.498 -16.456   5.809
   17   2HO*    G   2          2HO*        G   2  -3.079 -16.108   8.154
   18    H1*    G   2           H1*        G   2  -3.126 -19.086   6.579
   19    H8     G   2           H8         G   2  -6.260 -19.047   4.500
   20    H1     G   2           H1         G   2  -0.911 -17.973   1.047
   21   1H2     G   2          1H2         G   2   0.826 -17.740   2.415
   22   2H2     G   2          2H2         G   2   0.649 -17.846   4.162
   23   1H5*    C   3          1H5*        C   3  -2.788 -14.386   8.375
   24   2H5*    C   3          2H5*        C   3  -2.673 -12.661   8.016
   25    H4*    C   3           H4*        C   3  -0.718 -14.245   7.410
   26    H3*    C   3           H3*        C   3  -1.859 -12.291   5.353
   27    H2*    C   3           H2*        C   3  -0.071 -12.925   3.911
   28   2HO*    C   3          2HO*        C   3   1.393 -13.022   5.832
   29    H1*    C   3           H1*        C   3  -0.316 -15.604   4.427
   30   1H4     C   3          1H4         C   3  -3.885 -15.158  -0.749
   31   2H4     C   3          2H4         C   3  -5.304 -14.842   0.224
   32    H5     C   3           H5         C   3  -5.170 -14.428   2.680
   33    H6     C   3           H6         C   3  -3.689 -14.319   4.543
   34   1H5*    A   4          1H5*        A   4   2.211 -11.051   5.705
   35   2H5*    A   4          2H5*        A   4   2.342  -9.294   5.494
   36    H4*    A   4           H4*        A   4   3.534 -10.659   3.745
   37    H3*    A   4           H3*        A   4   1.272  -8.869   2.792
   38    H2*    A   4           H2*        A   4   1.936  -9.468   0.570
   39   2HO*    A   4          2HO*        A   4   4.234  -9.379   1.209
   40    H1*    A   4           H1*        A   4   2.244 -12.147   1.153
   41    H8     A   4           H8         A   4  -0.847 -10.990   3.003
   42   1H6     A   4          1H6         A   4  -3.839 -12.311  -2.275
   43   2H6     A   4          2H6         A   4  -3.991 -11.970  -0.558
   44    H2     A   4           H2         A   4   0.542 -12.091  -3.181
   45   1H5*    C   5          1H5*        C   5   4.821  -7.324   0.629
   46   2H5*    C   5          2H5*        C   5   4.564  -5.607   0.260
   47    H4*    C   5           H4*        C   5   4.723  -7.141  -1.753
   48    H3*    C   5           H3*        C   5   2.123  -5.609  -1.390
   49    H2*    C   5           H2*        C   5   1.500  -6.533  -3.519
   50   2HO*    C   5          2HO*        C   5   3.841  -6.288  -4.198
   51    H1*    C   5           H1*        C   5   2.404  -9.071  -2.960
   52   1H4     C   5          1H4         C   5  -3.875  -8.983  -1.953
   53   2H4     C   5          2H4         C   5  -3.676  -8.324  -0.341
   54    H5     C   5           H5         C   5  -1.420  -7.665   0.554
   55    H6     C   5           H6         C   5   0.912  -7.502   0.007
   56   1H5*    U   6          1H5*        U   6   3.057  -4.899  -5.454
   57   2H5*    U   6          2H5*        U   6   2.577  -3.294  -6.002
   58    H4*    U   6           H4*        U   6   1.472  -5.262  -7.166
   59    H3*    U   6           H3*        U   6  -0.283  -3.192  -5.838
   60    H2*    U   6           H2*        U   6  -2.202  -4.420  -6.567
   61   2HO*    U   6          2HO*        U   6  -0.987  -4.888  -8.616
   62    H1*    U   6           H1*        U   6  -1.241  -6.887  -5.948
   63    H3     U   6           H3         U   6  -4.604  -5.959  -2.991
   64    H5     U   6           H5         U   6  -1.039  -4.674  -1.165
   65    H6     U   6           H6         U   6   0.074  -4.920  -3.250
   66   1H5*    C   7          1H5*        C   7  -0.908  -2.429 -10.199
   67   2H5*    C   7          2H5*        C   7  -1.209  -0.726 -10.596
   68    H4*    C   7           H4*        C   7  -3.334  -2.128 -10.328
   69    H3*    C   7           H3*        C   7  -2.870   0.151  -8.377
   70    H2*    C   7           H2*        C   7  -5.022  -0.304  -7.534
   71   2HO*    C   7          2HO*        C   7  -6.124  -0.396  -9.505
   72    H1*    C   7           H1*        C   7  -4.867  -3.099  -8.094
   73   1H4     C   7          1H4         C   7  -4.922  -2.720  -1.805
   74   2H4     C   7          2H4         C   7  -3.203  -2.390  -1.691
   75    H5     C   7           H5         C   7  -1.814  -2.034  -3.842
   76    H6     C   7           H6         C   7  -1.996  -1.869  -6.221
   77   1H5*    U   8          1H5*        U   8  -6.722   0.533 -11.159
   78   2H5*    U   8          2H5*        U   8  -6.993   2.280 -11.312
   79    H4*    U   8           H4*        U   8  -9.067   1.035 -10.720
   80    H3*    U   8           H3*        U   8  -8.015   2.992  -8.652
   81    H2*    U   8           H2*        U   8 -10.075   2.584  -7.464
   82   2HO*    U   8          2HO*        U   8 -11.213   2.510  -9.593
   83    H1*    U   8           H1*        U   8 -10.043  -0.143  -7.878
   84    H3     U   8           H3         U   8  -9.280   0.234  -3.397
   85    H5     U   8           H5         U   8  -5.562   1.032  -5.199
   86    H6     U   8           H6         U   8  -6.671   1.177  -7.334
   87   1H5*    G   9          1H5*        G   9 -12.161   4.325  -9.381
   88   2H5*    G   9          2H5*        G   9 -12.208   6.081  -9.132
   89    H4*    G   9           H4*        G   9 -13.670   4.792  -7.555
   90    H3*    G   9           H3*        G   9 -11.384   6.353  -6.319
   91    H2*    G   9           H2*        G   9 -12.329   5.724  -4.171
   92   2HO*    G   9          2HO*        G   9 -14.534   5.940  -5.125
   93    H1*    G   9           H1*        G   9 -12.682   3.103  -4.854
   94    H8     G   9           H8         G   9  -9.413   4.394  -6.425
   95    H1     G   9           H1         G   9  -8.993   2.891  -0.192
   96   1H2     G   9          1H2         G   9 -11.092   2.753   0.684
   97   2H2     G   9          2H2         G   9 -12.492   2.770  -0.380
   98   1H5*    G  10          1H5*        G  10 -15.126   7.497  -4.188
   99   2H5*    G  10          2H5*        G  10 -14.993   9.185  -3.670
  100    H4*    G  10           H4*        G  10 -15.402   7.510  -1.818
  101    H3*    G  10           H3*        G  10 -12.902   9.217  -1.691
  102    H2*    G  10           H2*        G  10 -12.549   8.255   0.506
  103   2HO*    G  10          2HO*        G  10 -14.955   8.322   0.828
  104    H1*    G  10           H1*        G  10 -13.133   5.688  -0.270
  105    H8     G  10           H8         G  10 -11.156   7.207  -3.128
  106    H1     G  10           H1         G  10  -7.560   5.666   1.972
  107   1H2     G  10          1H2         G  10  -8.904   5.482   3.801
  108   2H2     G  10          2H2         G  10 -10.658   5.526   3.641
  109   1H5*    U  11          1H5*        U  11 -14.859   9.727   2.257
  110   2H5*    U  11          2H5*        U  11 -14.611  11.407   2.769
  111    H4*    U  11           H4*        U  11 -13.637   9.708   4.374
  112    H3*    U  11           H3*        U  11 -11.652  11.591   3.095
  113    H2*    U  11           H2*        U  11 -10.104  10.598   4.652
  114   2HO*    U  11          2HO*        U  11 -11.686  10.493   6.364
  115    H1*    U  11           H1*        U  11 -10.884   8.031   4.148
  116    H3     U  11           H3         U  11  -6.718   8.836   2.454
  117    H5     U  11           H5         U  11  -9.385  10.157  -0.537
  118    H6     U  11           H6         U  11 -11.185   9.888   1.029
  119   1H5*    A  12          1H5*        A  12 -12.795  13.263   7.272
  120   2H5*    A  12          2H5*        A  12 -12.117  14.865   7.589
  121    H4*    A  12           H4*        A  12 -10.832  12.869   8.526
  122    H3*    A  12           H3*        A  12  -9.411  14.833   6.739
  123    H2*    A  12           H2*        A  12  -7.407  13.639   7.282
  124   2HO*    A  12          2HO*        A  12  -7.901  13.413   9.522
  125    H1*    A  12           H1*        A  12  -8.574  11.115   7.020
  126    H8     A  12           H8         A  12  -9.895  13.351   4.333
  127   1H6     A  12          1H6         A  12  -4.809  11.991   1.078
  128   2H6     A  12          2H6         A  12  -6.450  12.617   1.037
  129    H2     A  12           H2         A  12  -4.029  10.937   5.371
  130   1H5*    U  13          1H5*        U  13  -6.086  16.624  10.806
  131   2H5*    U  13          2H5*        U  13  -6.120  16.995   9.085
  132    H4*    U  13           H4*        U  13  -4.632  14.787  10.511
  133    H3*    U  13           H3*        U  13  -4.129  16.945   8.449
  134    H2*    U  13           H2*        U  13  -2.451  15.707   7.369
  135   2HO*    U  13          2HO*        U  13  -1.847  14.917   9.670
  136    H1*    U  13           H1*        U  13  -3.787  13.312   7.400
  137    H3     U  13           H3         U  13  -4.202  14.603   3.057
  138    H5     U  13           H5         U  13  -7.468  16.286   5.134
  139    H6     U  13           H6         U  13  -6.292  15.872   7.187
  140   1H5*    C  14          1H5*        C  14  -0.479  16.688   9.215
  141   2H5*    C  14          2H5*        C  14   0.243  18.254   9.643
  142    H4*    C  14           H4*        C  14   1.322  17.537   7.649
  143    H3*    C  14           H3*        C  14  -0.852  19.473   6.834
  144    H2*    C  14           H2*        C  14   0.271  19.388   4.644
  145   2HO*    C  14          2HO*        C  14   2.137  18.107   4.372
  146    H1*    C  14           H1*        C  14   0.154  16.664   4.673
  147   1H4     C  14          1H4         C  14  -5.429  18.635   2.267
  148   2H4     C  14          2H4         C  14  -6.118  18.835   3.864
  149    H5     C  14           H5         C  14  -4.757  18.458   5.938
  150    H6     C  14           H6         C  14  -2.585  17.934   6.749
  151   1H5*    A  15          1H5*        A  15   0.253  22.632   4.953
  152   2H5*    A  15          2H5*        A  15   1.374  21.257   4.948
  153    H4*    A  15           H4*        A  15   1.796  24.117   4.124
  154    H3*    A  15           H3*        A  15   1.384  21.878   2.646
  155    H2*    A  15           H2*        A  15   2.986  20.473   3.668
  156   2HO*    A  15          2HO*        A  15   3.967  21.820   1.436
  157    H1*    A  15           H1*        A  15   5.031  22.643   3.553
  158    H8     A  15           H8         A  15   3.388  20.226   6.093
  159   1H6     A  15          1H6         A  15   9.113  19.580   8.368
  160   2H6     A  15          2H6         A  15   7.433  19.062   8.479
  161    H2     A  15           H2         A  15   9.283  22.543   5.031
  162   1H5*    C  16          1H5*        C  16   1.665  21.155  -0.077
  163   2H5*    C  16          2H5*        C  16   1.917  22.418  -1.259
  164    H4*    C  16           H4*        C  16   0.527  20.791  -2.196
  165    H3*    C  16           H3*        C  16  -0.369  23.356  -2.354
  166    H2*    C  16           H2*        C  16  -1.583  23.391  -0.307
  167   2HO*    C  16          2HO*        C  16  -3.137  22.702  -2.520
  168    H1*    C  16           H1*        C  16  -2.838  20.742  -0.901
  169   1H4     C  16          1H4         C  16  -3.960  21.821   5.382
  170   2H4     C  16          2H4         C  16  -2.257  21.621   5.753
  171    H5     C  16           H5         C  16  -0.616  21.101   3.954
  172    H6     C  16           H6         C  16  -0.248  20.950   1.624
  173   1H5*    G  17          1H5*        G  17   0.207  19.362  -5.479
  174   2H5*    G  17          2H5*        G  17   0.122  19.444  -3.721
  175    H4*    G  17           H4*        G  17   2.655  19.711  -5.422
  176    H3*    G  17           H3*        G  17   1.607  17.546  -3.557
  177    H2*    G  17           H2*        G  17   3.830  17.059  -2.988
  178   2HO*    G  17          2HO*        G  17   4.235  17.305  -5.462
  179    H1*    G  17           H1*        G  17   4.783  19.722  -3.370
  180    H8     G  17           H8         G  17   6.067  19.197  -1.151
  181    H1     G  17           H1         G  17   0.659  17.638   1.924
  182   1H2     G  17          1H2         G  17  -1.024  17.489   0.517
  183   2H2     G  17          2H2         G  17  -0.826  17.873  -1.184
  184   1H5*    G  18          1H5*        G  18   3.993  15.184  -4.408
  185   2H5*    G  18          2H5*        G  18   3.437  13.512  -4.557
  186    H4*    G  18           H4*        G  18   4.662  14.330  -2.367
  187    H3*    G  18           H3*        G  18   2.144  12.655  -2.327
  188    H2*    G  18           H2*        G  18   2.373  12.611   0.073
  189   2HO*    G  18          2HO*        G  18   4.811  12.544  -0.277
  190    H1*    G  18           H1*        G  18   2.940  15.283   0.326
  191    H8     G  18           H8         G  18   0.320  14.754  -2.399
  192    H1     G  18           H1         G  18  -2.025  14.130   3.556
  193   1H2     G  18          1H2         G  18  -0.318  13.958   5.020
  194   2H2     G  18          2H2         G  18   1.350  14.135   4.502
  195   1H5*    U  19          1H5*        U  19   4.896  10.820   0.506
  196   2H5*    U  19          2H5*        U  19   4.713   9.065   0.476
  197    H4*    U  19           H4*        U  19   4.302  10.170   2.701
  198    H3*    U  19           H3*        U  19   2.028   8.525   1.528
  199    H2*    U  19           H2*        U  19   0.966   8.850   3.675
  200   2HO*    U  19          2HO*        U  19   3.025   8.663   4.811
  201    H1*    U  19           H1*        U  19   1.463  11.519   3.773
  202    H3     U  19           H3         U  19  -3.010  11.090   2.717
  203    H5     U  19           H5         U  19  -0.944  10.924  -0.948
  204    H6     U  19           H6         U  19   1.099  10.754   0.252
  205   1H5*    A  20          1H5*        A  20   3.239   6.620   5.271
  206   2H5*    A  20          2H5*        A  20   2.907   4.879   5.238
  207    H4*    A  20           H4*        A  20   1.679   6.127   7.002
  208    H3*    A  20           H3*        A  20  -0.121   4.771   4.926
  209    H2*    A  20           H2*        A  20  -1.908   5.452   6.306
  210   2HO*    A  20          2HO*        A  20  -0.379   5.248   8.269
  211    H1*    A  20           H1*        A  20  -1.191   7.892   6.568
  212    H8     A  20           H8         A  20   0.135   6.997   3.058
  213   1H6     A  20          1H6         A  20  -5.390   8.589   0.905
  214   2H6     A  20          2H6         A  20  -3.738   8.143   0.565
  215    H2     A  20           H2         A  20  -5.691   8.351   5.425
  216   1H5*    C  21          1H5*        C  21  -1.863   4.102   8.370
  217   2H5*    C  21          2H5*        C  21  -2.301   2.489   8.659
  218    H4*    C  21           H4*        C  21  -4.235   3.953   8.824
  219    H3*    C  21           H3*        C  21  -4.425   2.170   6.350
  220    H2*    C  21           H2*        C  21  -6.601   3.130   6.067
  221   2HO*    C  21          2HO*        C  21  -6.894   3.167   8.457
  222    H1*    C  21           H1*        C  21  -5.725   5.701   6.451
  223   1H4     C  21          1H4         C  21  -5.393   5.244   0.231
  224   2H4     C  21          2H4         C  21  -3.708   4.751   0.284
  225    H5     C  21           H5         C  21  -2.589   4.166   2.484
  226    H6     C  21           H6         C  21  -2.911   4.084   4.857
  227   1H5*    C  22          1H5*        C  22  -8.042   1.457   8.591
  228   2H5*    C  22          2H5*        C  22  -8.589  -0.221   8.388
  229    H4*    C  22           H4*        C  22 -10.187   1.537   7.506
  230    H3*    C  22           H3*        C  22  -9.050  -0.474   5.530
  231    H2*    C  22           H2*        C  22 -10.487   0.513   3.900
  232   2HO*    C  22          2HO*        C  22 -12.129   0.774   5.720
  233    H1*    C  22           H1*        C  22 -10.007   3.119   4.683
  234   1H4     C  22          1H4         C  22  -6.459   2.330  -0.452
  235   2H4     C  22          2H4         C  22  -5.112   1.681   0.458
  236    H5     C  22           H5         C  22  -5.276   1.333   2.978
  237    H6     C  22           H6         C  22  -6.765   1.417   4.850
  238   1H5*    U  23          1H5*        U  23 -13.154  -0.580   4.557
  239   2H5*    U  23          2H5*        U  23 -13.629  -2.250   4.210
  240    H4*    U  23           H4*        U  23 -13.930  -0.698   2.283
  241    H3*    U  23           H3*        U  23 -11.918  -2.937   1.910
  242    H2*    U  23           H2*        U  23 -11.814  -2.232  -0.409
  243   2HO*    U  23          2HO*        U  23 -14.150  -1.809  -0.431
  244    H1*    U  23           H1*        U  23 -11.760   0.442   0.179
  245    H3     U  23           H3         U  23  -7.595  -0.306  -1.396
  246    H5     U  23           H5         U  23  -7.509  -1.880   2.513
  247    H6     U  23           H6         U  23  -9.882  -1.511   2.660
  248   1H5*    U  24          1H5*        U  24 -15.010  -3.069  -1.377
  249   2H5*    U  24          2H5*        U  24 -15.173  -4.744  -1.926
  250    H4*    U  24           H4*        U  24 -14.514  -3.094  -3.732
  251    H3*    U  24           H3*        U  24 -12.572  -5.334  -3.107
  252    H2*    U  24           H2*        U  24 -11.400  -4.618  -5.087
  253   2HO*    U  24          2HO*        U  24 -12.215  -3.138  -6.500
  254    H1*    U  24           H1*        U  24 -11.613  -1.930  -4.440
  255    H3     U  24           H3         U  24  -7.198  -2.846  -4.038
  256    H5     U  24           H5         U  24  -8.890  -4.521  -0.587
  257    H6     U  24           H6         U  24 -11.102  -4.116  -1.512
  258   1H5*    U  25          1H5*        U  25 -13.390  -5.499  -7.301
  259   2H5*    U  25          2H5*        U  25 -13.393  -7.173  -7.877
  260    H4*    U  25           H4*        U  25 -11.746  -5.752  -9.074
  261    H3*    U  25           H3*        U  25 -10.517  -7.957  -7.374
  262    H2*    U  25           H2*        U  25  -8.477  -7.413  -8.428
  263   2HO*    U  25          2HO*        U  25  -8.309  -6.122 -10.180
  264    H1*    U  25           H1*        U  25  -8.821  -4.694  -8.128
  265    H3     U  25           H3         U  25  -5.507  -5.826  -5.210
  266    H5     U  25           H5         U  25  -9.043  -6.849  -3.219
  267    H6     U  25           H6         U  25 -10.271  -6.458  -5.264
  268   1H5*    G  26          1H5*        G  26  -9.279  -8.725 -11.308
  269   2H5*    G  26          2H5*        G  26  -9.121 -10.463 -11.636
  270    H4*    G  26           H4*        G  26  -6.978  -9.191 -11.878
  271    H3*    G  26           H3*        G  26  -7.084 -11.268  -9.668
  272    H2*    G  26           H2*        G  26  -4.720 -10.833  -9.359
  273   2HO*    G  26          2HO*        G  26  -4.501 -10.564 -11.749
  274    H1*    G  26           H1*        G  26  -5.025  -8.095  -9.454
  275    H8     G  26           H8         G  26  -8.020  -9.323  -7.511
  276    H1     G  26           H1         G  26  -2.514  -9.419  -4.182
  277   1H2     G  26          1H2         G  26  -0.750  -9.325  -5.649
  278   2H2     G  26          2H2         G  26  -1.036  -9.105  -7.369
  279   1H5*    U  27          1H5*        U  27  -3.565 -12.228 -12.179
  280   2H5*    U  27          2H5*        U  27  -3.342 -13.986 -12.215
  281    H4*    U  27           H4*        U  27  -1.364 -12.688 -11.373
  282    H3*    U  27           H3*        U  27  -2.607 -14.626  -9.384
  283    H2*    U  27           H2*        U  27  -0.673 -14.165  -8.057
  284   2HO*    U  27          2HO*        U  27   0.760 -14.035  -9.916
  285    H1*    U  27           H1*        U  27  -0.859 -11.464  -8.376
  286    H3     U  27           H3         U  27  -2.105 -12.535  -4.088
  287    H5     U  27           H5         U  27  -5.578 -13.053  -6.407
  288    H6     U  27           H6         U  27  -4.248 -12.783  -8.388
  289   1H5*    G  28          1H5*        G  28   1.656 -15.837 -10.008
  290   2H5*    G  28          2H5*        G  28   1.907 -17.509  -9.482
  291    H4*    G  28           H4*        G  28   3.153 -15.611  -8.258
  292    H3*    G  28           H3*        G  28   1.669 -17.668  -6.646
  293    H2*    G  28           H2*        G  28   2.535 -16.490  -4.693
  294   2HO*    G  28          2HO*        G  28   4.542 -16.024  -6.073
  295    H1*    G  28           H1*        G  28   1.820 -14.014  -5.574
  296    H8     G  28           H8         G  28  -1.018 -15.962  -6.965
  297    H1     G  28           H1         G  28  -1.378 -15.339  -0.587
  298   1H2     G  28          1H2         G  28   0.681 -14.860   0.260
  299   2H2     G  28          2H2         G  28   2.037 -14.557  -0.815
  300   1H5*    U  29          1H5*        U  29   5.347 -17.357  -4.791
  301   2H5*    U  29          2H5*        U  29   6.053 -18.931  -4.393
  302    H4*    U  29           H4*        U  29   5.709 -17.547  -2.394
  303    H3*    U  29           H3*        U  29   3.951 -20.026  -2.532
  304    H2*    U  29           H2*        U  29   3.264 -19.525  -0.319
  305   2HO*    U  29          2HO*        U  29   5.528 -18.714   0.121
  306    H1*    U  29           H1*        U  29   2.823 -16.879  -0.804
  307    H3     U  29           H3         U  29  -1.404 -18.758  -0.692
  308    H5     U  29           H5         U  29  -0.093 -18.961  -4.680
  309    H6     U  29           H6         U  29   2.071 -18.387  -3.974
  310   1H5*    C  30          1H5*        C  30   6.194 -20.297   0.964
  311   2H5*    C  30          2H5*        C  30   6.688 -21.961   1.315
  312    H4*    C  30           H4*        C  30   5.323 -20.960   3.111
  313    H3*    C  30           H3*        C  30   3.997 -23.245   1.593
  314    H2*    C  30           H2*        C  30   2.270 -23.176   3.249
  315   2HO*    C  30          2HO*        C  30   4.165 -22.668   4.843
  316    H1*    C  30           H1*        C  30   2.277 -20.381   3.431
  317   1H4     C  30          1H4         C  30  -2.777 -21.642  -0.122
  318   2H4     C  30          2H4         C  30  -1.834 -21.764  -1.596
  319    H5     C  30           H5         C  30   0.715 -21.851  -1.499
  320    H6     C  30           H6         C  30   2.600 -21.622  -0.025
  321    H3T    C  30           HE         C  30   4.881 -24.480   3.182
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1 -11.225 -21.492   7.758
    2   2H5*    G   1          2H5*        G   1 -10.471 -22.495   6.507
    3    H4*    G   1           H4*        G   1  -9.302 -22.223   9.149
    4    H3*    G   1           H3*        G   1  -8.814 -20.587   6.670
    5    H2*    G   1           H2*        G   1  -6.511 -20.392   7.384
    6   2HO*    G   1          2HO*        G   1  -7.336 -20.328   9.697
    7    H1*    G   1           H1*        G   1  -6.239 -23.020   8.003
    8    H8     G   1           H8         G   1  -8.509 -22.949   4.969
    9    H1     G   1           H1         G   1  -2.352 -21.758   3.558
   10   1H2     G   1          1H2         G   1  -1.201 -21.370   5.493
   11   2H2     G   1          2H2         G   1  -1.993 -21.497   7.058
   12   1H5*    G   2          1H5*        G   2  -6.743 -18.545   9.776
   13   2H5*    G   2          2H5*        G   2  -6.896 -16.797   9.563
   14    H4*    G   2           H4*        G   2  -4.508 -17.625   9.548
   15    H3*    G   2           H3*        G   2  -5.490 -16.318   6.993
   16    H2*    G   2           H2*        G   2  -3.187 -16.334   6.406
   17   2HO*    G   2          2HO*        G   2  -2.560 -15.809   8.659
   18    H1*    G   2           H1*        G   2  -2.744 -18.907   7.337
   19    H8     G   2           H8         G   2  -6.028 -18.989   5.504
   20    H1     G   2           H1         G   2  -0.961 -18.179   1.582
   21   1H2     G   2          1H2         G   2   0.879 -17.866   2.798
   22   2H2     G   2          2H2         G   2   0.834 -17.855   4.557
   23   1H5*    C   3          1H5*        C   3  -2.307 -14.067   8.750
   24   2H5*    C   3          2H5*        C   3  -2.244 -12.370   8.261
   25    H4*    C   3           H4*        C   3  -0.320 -13.972   7.618
   26    H3*    C   3           H3*        C   3  -1.654 -12.202   5.511
   27    H2*    C   3           H2*        C   3   0.036 -12.925   3.992
   28   2HO*    C   3          2HO*        C   3   1.642 -12.846   5.788
   29    H1*    C   3           H1*        C   3  -0.126 -15.560   4.732
   30   1H4     C   3          1H4         C   3  -4.071 -15.439  -0.201
   31   2H4     C   3          2H4         C   3  -5.416 -15.042   0.842
   32    H5     C   3           H5         C   3  -5.108 -14.510   3.263
   33    H6     C   3           H6         C   3  -3.500 -14.300   5.007
   34   1H5*    A   4          1H5*        A   4   2.427 -10.902   5.484
   35   2H5*    A   4          2H5*        A   4   2.530  -9.174   5.091
   36    H4*    A   4           H4*        A   4   3.626 -10.725   3.431
   37    H3*    A   4           H3*        A   4   1.346  -8.981   2.436
   38    H2*    A   4           H2*        A   4   1.861  -9.792   0.248
   39   2HO*    A   4          2HO*        A   4   4.195  -9.704   0.736
   40    H1*    A   4           H1*        A   4   2.145 -12.412   1.037
   41    H8     A   4           H8         A   4  -0.780 -11.022   2.999
   42   1H6     A   4          1H6         A   4  -4.175 -12.655  -1.934
   43   2H6     A   4          2H6         A   4  -4.198 -12.165  -0.245
   44    H2     A   4           H2         A   4   0.132 -12.690  -3.147
   45   1H5*    C   5          1H5*        C   5   4.831  -7.788  -0.039
   46   2H5*    C   5          2H5*        C   5   4.618  -6.109  -0.579
   47    H4*    C   5           H4*        C   5   4.633  -7.866  -2.416
   48    H3*    C   5           H3*        C   5   2.137  -6.160  -2.125
   49    H2*    C   5           H2*        C   5   1.370  -7.264  -4.127
   50   2HO*    C   5          2HO*        C   5   3.692  -7.225  -4.903
   51    H1*    C   5           H1*        C   5   2.162  -9.778  -3.322
   52   1H4     C   5          1H4         C   5  -4.058  -9.247  -2.057
   53   2H4     C   5          2H4         C   5  -3.739  -8.416  -0.552
   54    H5     C   5           H5         C   5  -1.411  -7.843   0.193
   55    H6     C   5           H6         C   5   0.892  -7.841  -0.475
   56   1H5*    U   6          1H5*        U   6   2.963  -5.898  -6.251
   57   2H5*    U   6          2H5*        U   6   2.605  -4.309  -6.928
   58    H4*    U   6           H4*        U   6   1.291  -6.232  -7.906
   59    H3*    U   6           H3*        U   6  -0.245  -3.963  -6.629
   60    H2*    U   6           H2*        U   6  -2.280  -5.074  -7.198
   61   2HO*    U   6          2HO*        U   6  -1.200  -5.731  -9.272
   62    H1*    U   6           H1*        U   6  -1.471  -7.583  -6.500
   63    H3     U   6           H3         U   6  -4.638  -6.230  -3.472
   64    H5     U   6           H5         U   6  -0.914  -5.121  -1.858
   65    H6     U   6           H6         U   6   0.083  -5.543  -3.979
   66   1H5*    C   7          1H5*        C   7  -1.022  -3.322 -10.988
   67   2H5*    C   7          2H5*        C   7  -1.181  -1.611 -11.433
   68    H4*    C   7           H4*        C   7  -3.412  -2.783 -11.013
   69    H3*    C   7           H3*        C   7  -2.631  -0.527  -9.138
   70    H2*    C   7           H2*        C   7  -4.785  -0.751  -8.196
   71   2HO*    C   7          2HO*        C   7  -5.980  -0.784 -10.109
   72    H1*    C   7           H1*        C   7  -4.909  -3.562  -8.681
   73   1H4     C   7          1H4         C   7  -4.605  -2.904  -2.407
   74   2H4     C   7          2H4         C   7  -2.866  -2.670  -2.393
   75    H5     C   7           H5         C   7  -1.567  -2.533  -4.619
   76    H6     C   7           H6         C   7  -1.857  -2.485  -6.999
   77   1H5*    U   8          1H5*        U   8  -6.516   0.159 -11.786
   78   2H5*    U   8          2H5*        U   8  -6.641   1.917 -11.990
   79    H4*    U   8           H4*        U   8  -8.794   0.855 -11.296
   80    H3*    U   8           H3*        U   8  -7.535   2.812  -9.348
   81    H2*    U   8           H2*        U   8  -9.578   2.609  -8.086
   82   2HO*    U   8          2HO*        U   8 -10.817   2.554 -10.132
   83    H1*    U   8           H1*        U   8  -9.768  -0.128  -8.378
   84    H3     U   8           H3         U   8  -8.871   0.413  -3.941
   85    H5     U   8           H5         U   8  -5.141   0.811  -5.862
   86    H6     U   8           H6         U   8  -6.285   0.905  -7.978
   87   1H5*    G   9          1H5*        G   9 -11.632   4.376 -10.117
   88   2H5*    G   9          2H5*        G   9 -11.606   6.134  -9.886
   89    H4*    G   9           H4*        G   9 -13.118   4.871  -8.303
   90    H3*    G   9           H3*        G   9 -10.855   6.488  -7.101
   91    H2*    G   9           H2*        G   9 -11.775   5.890  -4.936
   92   2HO*    G   9          2HO*        G   9 -13.991   6.040  -5.917
   93    H1*    G   9           H1*        G   9 -12.106   3.251  -5.536
   94    H8     G   9           H8         G   9  -8.865   4.504  -7.181
   95    H1     G   9           H1         G   9  -8.337   3.106  -0.932
   96   1H2     G   9          1H2         G   9 -10.405   3.005  -0.006
   97   2H2     G   9          2H2         G   9 -11.836   3.023  -1.027
   98   1H5*    G  10          1H5*        G  10 -14.622   7.556  -4.984
   99   2H5*    G  10          2H5*        G  10 -14.538   9.231  -4.421
  100    H4*    G  10           H4*        G  10 -14.867   7.438  -2.633
  101    H3*    G  10           H3*        G  10 -12.541   9.360  -2.430
  102    H2*    G  10           H2*        G  10 -12.054   8.338  -0.288
  103   2HO*    G  10          2HO*        G  10 -14.437   8.152   0.089
  104    H1*    G  10           H1*        G  10 -12.400   5.768  -1.144
  105    H8     G  10           H8         G  10 -10.626   7.497  -4.002
  106    H1     G  10           H1         G  10  -6.806   6.051   0.963
  107   1H2     G  10          1H2         G  10  -8.082   5.719   2.821
  108   2H2     G  10          2H2         G  10  -9.835   5.640   2.698
  109   1H5*    U  11          1H5*        U  11 -14.674   9.398   1.501
  110   2H5*    U  11          2H5*        U  11 -14.566  11.025   2.196
  111    H4*    U  11           H4*        U  11 -13.505   9.193   3.620
  112    H3*    U  11           H3*        U  11 -11.708  11.440   2.713
  113    H2*    U  11           H2*        U  11 -10.092  10.399   4.169
  114   2HO*    U  11          2HO*        U  11 -11.701   9.870   5.782
  115    H1*    U  11           H1*        U  11 -10.547   7.868   3.289
  116    H3     U  11           H3         U  11  -6.472   9.295   1.788
  117    H5     U  11           H5         U  11  -9.268  10.721  -1.034
  118    H6     U  11           H6         U  11 -11.016  10.115   0.462
  119   1H5*    A  12          1H5*        A  12 -13.000  12.287   7.049
  120   2H5*    A  12          2H5*        A  12 -12.487  13.876   7.633
  121    H4*    A  12           H4*        A  12 -11.005  11.877   8.243
  122    H3*    A  12           H3*        A  12  -9.808  14.264   6.857
  123    H2*    A  12           H2*        A  12  -7.687  13.211   7.200
  124   2HO*    A  12          2HO*        A  12  -8.106  12.513   9.347
  125    H1*    A  12           H1*        A  12  -8.571  10.665   6.469
  126    H8     A  12           H8         A  12 -10.157  13.183   4.219
  127   1H6     A  12          1H6         A  12  -5.106  12.828   0.698
  128   2H6     A  12          2H6         A  12  -6.785  13.331   0.821
  129    H2     A  12           H2         A  12  -4.062  11.198   4.760
  130   1H5*    U  13          1H5*        U  13  -6.614  15.340  11.339
  131   2H5*    U  13          2H5*        U  13  -6.658  16.093   9.747
  132    H4*    U  13           H4*        U  13  -5.046  13.705  10.667
  133    H3*    U  13           H3*        U  13  -4.685  16.266   9.090
  134    H2*    U  13           H2*        U  13  -2.879  15.376   7.882
  135   2HO*    U  13          2HO*        U  13  -1.932  13.403   8.400
  136    H1*    U  13           H1*        U  13  -4.108  12.997   7.327
  137    H3     U  13           H3         U  13  -4.553  15.173   3.358
  138    H5     U  13           H5         U  13  -7.919  16.176   5.691
  139    H6     U  13           H6         U  13  -6.726  15.418   7.624
  140   1H5*    C  14          1H5*        C  14  -1.004  15.835   9.958
  141   2H5*    C  14          2H5*        C  14  -0.263  17.289  10.657
  142    H4*    C  14           H4*        C  14   0.905  16.774   8.626
  143    H3*    C  14           H3*        C  14  -1.031  19.055   8.130
  144    H2*    C  14           H2*        C  14   0.120  19.237   5.954
  145   2HO*    C  14          2HO*        C  14   2.133  18.492   7.212
  146    H1*    C  14           H1*        C  14  -0.104  16.579   5.482
  147   1H4     C  14          1H4         C  14  -5.508  19.030   3.131
  148   2H4     C  14          2H4         C  14  -6.263  19.043   4.710
  149    H5     C  14           H5         C  14  -5.012  18.390   6.772
  150    H6     C  14           H6         C  14  -2.887  17.686   7.606
  151   1H5*    A  15          1H5*        A  15   0.405  22.350   6.902
  152   2H5*    A  15          2H5*        A  15   1.384  20.910   6.520
  153    H4*    A  15           H4*        A  15   2.047  23.838   6.362
  154    H3*    A  15           H3*        A  15   1.199  22.132   4.443
  155    H2*    A  15           H2*        A  15   2.712  20.384   4.791
  156   2HO*    A  15          2HO*        A  15   3.567  22.231   2.902
  157    H1*    A  15           H1*        A  15   5.013  22.316   5.015
  158    H8     A  15           H8         A  15   3.934  18.798   5.485
  159   1H6     A  15          1H6         A  15   9.045  18.007   8.873
  160   2H6     A  15          2H6         A  15   7.711  17.222   8.033
  161    H2     A  15           H2         A  15   8.437  22.400   8.346
  162   1H5*    C  16          1H5*        C  16   1.460  21.922   1.468
  163   2H5*    C  16          2H5*        C  16   1.519  23.401   0.574
  164    H4*    C  16           H4*        C  16   0.128  21.850  -0.511
  165    H3*    C  16           H3*        C  16  -0.881  24.364  -0.295
  166    H2*    C  16           H2*        C  16  -1.765  24.079   1.975
  167   2HO*    C  16          2HO*        C  16  -3.667  23.754  -0.056
  168    H1*    C  16           H1*        C  16  -3.151  21.558   1.034
  169   1H4     C  16          1H4         C  16  -3.947  21.587   7.451
  170   2H4     C  16          2H4         C  16  -2.224  21.343   7.685
  171    H5     C  16           H5         C  16  -0.683  21.152   5.747
  172    H6     C  16           H6         C  16  -0.459  21.349   3.390
  173   1H5*    G  17          1H5*        G  17   0.978  23.410  -2.850
  174   2H5*    G  17          2H5*        G  17   0.569  22.557  -4.308
  175    H4*    G  17           H4*        G  17   2.741  22.035  -3.752
  176    H3*    G  17           H3*        G  17   1.109  19.723  -2.644
  177    H2*    G  17           H2*        G  17   3.279  18.776  -2.283
  178   2HO*    G  17          2HO*        G  17   3.775  19.674  -4.575
  179    H1*    G  17           H1*        G  17   4.505  21.336  -1.906
  180    H8     G  17           H8         G  17   5.779  20.280  -0.032
  181    H1     G  17           H1         G  17   0.517  18.062   2.845
  182   1H2     G  17          1H2         G  17  -1.231  18.219   1.492
  183   2H2     G  17          2H2         G  17  -1.097  19.035  -0.059
  184   1H5*    G  18          1H5*        G  18   3.174  17.599  -4.129
  185   2H5*    G  18          2H5*        G  18   2.513  16.174  -4.824
  186    H4*    G  18           H4*        G  18   3.814  16.193  -2.478
  187    H3*    G  18           H3*        G  18   1.360  14.483  -2.905
  188    H2*    G  18           H2*        G  18   1.705  13.745  -0.625
  189   2HO*    G  18          2HO*        G  18   4.113  13.883  -1.022
  190    H1*    G  18           H1*        G  18   2.200  16.234   0.398
  191    H8     G  18           H8         G  18  -0.549  16.381  -2.264
  192    H1     G  18           H1         G  18  -2.537  14.576   3.596
  193   1H2     G  18          1H2         G  18  -0.755  14.064   4.863
  194   2H2     G  18          2H2         G  18   0.884  14.308   4.277
  195   1H5*    U  19          1H5*        U  19   4.521  12.129  -0.767
  196   2H5*    U  19          2H5*        U  19   4.313  10.408  -1.076
  197    H4*    U  19           H4*        U  19   4.126  11.261   1.345
  198    H3*    U  19           H3*        U  19   1.955   9.467   0.211
  199    H2*    U  19           H2*        U  19   1.055   9.479   2.456
  200   2HO*    U  19          2HO*        U  19   3.188   9.417   3.428
  201    H1*    U  19           H1*        U  19   1.269  12.154   2.820
  202    H3     U  19           H3         U  19  -3.228  11.686   2.069
  203    H5     U  19           H5         U  19  -1.454  11.835  -1.743
  204    H6     U  19           H6         U  19   0.674  11.578  -0.724
  205   1H5*    A  20          1H5*        A  20   3.790   7.441   3.661
  206   2H5*    A  20          2H5*        A  20   3.618   5.678   3.567
  207    H4*    A  20           H4*        A  20   2.439   6.744   5.495
  208    H3*    A  20           H3*        A  20   0.627   5.261   3.522
  209    H2*    A  20           H2*        A  20  -1.116   5.753   5.028
  210   2HO*    A  20          2HO*        A  20   0.545   5.653   6.884
  211    H1*    A  20           H1*        A  20  -0.624   8.249   5.332
  212    H8     A  20           H8         A  20   0.467   7.510   1.701
  213   1H6     A  20          1H6         A  20  -5.213   9.090   0.053
  214   2H6     A  20          2H6         A  20  -3.602   8.622  -0.436
  215    H2     A  20           H2         A  20  -5.181   8.628   4.560
  216   1H5*    C  21          1H5*        C  21  -0.792   4.400   7.201
  217   2H5*    C  21          2H5*        C  21  -1.202   2.765   7.420
  218    H4*    C  21           H4*        C  21  -3.119   4.230   7.795
  219    H3*    C  21           H3*        C  21  -3.463   2.454   5.340
  220    H2*    C  21           H2*        C  21  -5.670   3.381   5.206
  221   2HO*    C  21          2HO*        C  21  -5.760   3.423   7.628
  222    H1*    C  21           H1*        C  21  -4.854   5.961   5.526
  223   1H4     C  21          1H4         C  21  -4.835   5.612  -0.718
  224   2H4     C  21          2H4         C  21  -3.150   5.128  -0.746
  225    H5     C  21           H5         C  21  -1.922   4.507   1.368
  226    H6     C  21           H6         C  21  -2.104   4.387   3.742
  227   1H5*    C  22          1H5*        C  22  -6.924   1.855   7.823
  228   2H5*    C  22          2H5*        C  22  -7.531   0.191   7.700
  229    H4*    C  22           H4*        C  22  -9.143   1.977   6.895
  230    H3*    C  22           H3*        C  22  -8.204  -0.141   4.935
  231    H2*    C  22           H2*        C  22  -9.692   0.826   3.343
  232   2HO*    C  22          2HO*        C  22 -11.225   1.216   5.234
  233    H1*    C  22           H1*        C  22  -9.114   3.447   3.975
  234   1H4     C  22          1H4         C  22  -5.813   2.506  -1.277
  235   2H4     C  22          2H4         C  22  -4.431   1.872  -0.409
  236    H5     C  22           H5         C  22  -4.499   1.565   2.115
  237    H6     C  22           H6         C  22  -5.910   1.677   4.039
  238   1H5*    U  23          1H5*        U  23 -12.374  -0.121   4.218
  239   2H5*    U  23          2H5*        U  23 -12.925  -1.781   3.940
  240    H4*    U  23           H4*        U  23 -13.262  -0.278   1.979
  241    H3*    U  23           H3*        U  23 -11.330  -2.582   1.591
  242    H2*    U  23           H2*        U  23 -11.304  -1.939  -0.754
  243   2HO*    U  23          2HO*        U  23 -13.592  -1.442  -0.767
  244    H1*    U  23           H1*        U  23 -11.118   0.737  -0.240
  245    H3     U  23           H3         U  23  -7.049  -0.244  -1.945
  246    H5     U  23           H5         U  23  -6.875  -1.665   2.020
  247    H6     U  23           H6         U  23  -9.228  -1.212   2.233
  248   1H5*    U  24          1H5*        U  24 -14.628  -2.634  -1.468
  249   2H5*    U  24          2H5*        U  24 -14.909  -4.296  -2.008
  250    H4*    U  24           H4*        U  24 -14.307  -2.663  -3.848
  251    H3*    U  24           H3*        U  24 -12.487  -5.045  -3.377
  252    H2*    U  24           H2*        U  24 -11.385  -4.377  -5.435
  253   2HO*    U  24          2HO*        U  24 -13.586  -3.742  -6.275
  254    H1*    U  24           H1*        U  24 -11.352  -1.694  -4.779
  255    H3     U  24           H3         U  24  -6.986  -2.854  -4.490
  256    H5     U  24           H5         U  24  -8.673  -4.393  -0.971
  257    H6     U  24           H6         U  24 -10.873  -3.911  -1.856
  258   1H5*    U  25          1H5*        U  25 -13.480  -5.255  -7.532
  259   2H5*    U  25          2H5*        U  25 -13.707  -6.951  -7.987
  260    H4*    U  25           H4*        U  25 -11.935  -5.861  -9.310
  261    H3*    U  25           H3*        U  25 -10.927  -8.032  -7.421
  262    H2*    U  25           H2*        U  25  -8.850  -7.801  -8.553
  263   2HO*    U  25          2HO*        U  25 -10.050  -7.503 -10.625
  264    H1*    U  25           H1*        U  25  -8.913  -5.043  -8.570
  265    H3     U  25           H3         U  25  -5.607  -6.212  -5.635
  266    H5     U  25           H5         U  25  -9.150  -6.660  -3.443
  267    H6     U  25           H6         U  25 -10.412  -6.330  -5.481
  268   1H5*    G  26          1H5*        G  26  -9.848  -9.438 -11.305
  269   2H5*    G  26          2H5*        G  26  -9.864 -11.213 -11.343
  270    H4*    G  26           H4*        G  26  -7.609 -10.168 -11.751
  271    H3*    G  26           H3*        G  26  -7.894 -11.930  -9.295
  272    H2*    G  26           H2*        G  26  -5.489 -11.689  -9.066
  273   2HO*    G  26          2HO*        G  26  -5.253 -11.763 -11.448
  274    H1*    G  26           H1*        G  26  -5.529  -8.976  -9.525
  275    H8     G  26           H8         G  26  -8.563  -9.640  -7.364
  276    H1     G  26           H1         G  26  -2.957  -9.900  -4.202
  277   1H2     G  26          1H2         G  26  -1.243 -10.049  -5.725
  278   2H2     G  26          2H2         G  26  -1.585  -9.974  -7.446
  279   1H5*    U  27          1H5*        U  27  -4.554 -13.422 -11.865
  280   2H5*    U  27          2H5*        U  27  -4.402 -15.178 -11.691
  281    H4*    U  27           H4*        U  27  -2.322 -13.842 -11.161
  282    H3*    U  27           H3*        U  27  -3.456 -15.567  -8.929
  283    H2*    U  27           H2*        U  27  -1.430 -15.047  -7.776
  284   2HO*    U  27          2HO*        U  27  -0.122 -15.115  -9.733
  285    H1*    U  27           H1*        U  27  -1.560 -12.379  -8.315
  286    H3     U  27           H3         U  27  -2.542 -13.083  -3.867
  287    H5     U  27           H5         U  27  -6.187 -13.545  -5.920
  288    H6     U  27           H6         U  27  -4.974 -13.533  -7.990
  289   1H5*    G  28          1H5*        G  28   0.731 -16.884  -9.764
  290   2H5*    G  28          2H5*        G  28   1.007 -18.527  -9.161
  291    H4*    G  28           H4*        G  28   2.374 -16.600  -8.133
  292    H3*    G  28           H3*        G  28   0.914 -18.475  -6.303
  293    H2*    G  28           H2*        G  28   1.964 -17.226  -4.498
  294   2HO*    G  28          2HO*        G  28   3.470 -15.643  -4.865
  295    H1*    G  28           H1*        G  28   1.244 -14.792  -5.494
  296    H8     G  28           H8         G  28  -1.722 -16.759  -6.537
  297    H1     G  28           H1         G  28  -1.585 -15.688  -0.208
  298   1H2     G  28          1H2         G  28   0.535 -15.183   0.446
  299   2H2     G  28          2H2         G  28   1.813 -14.989  -0.741
  300   1H5*    U  29          1H5*        U  29   4.721 -18.188  -4.848
  301   2H5*    U  29          2H5*        U  29   5.464 -19.727  -4.380
  302    H4*    U  29           H4*        U  29   5.355 -18.170  -2.485
  303    H3*    U  29           H3*        U  29   3.568 -20.614  -2.229
  304    H2*    U  29           H2*        U  29   3.085 -19.913  -0.014
  305   2HO*    U  29          2HO*        U  29   5.395 -19.091   0.122
  306    H1*    U  29           H1*        U  29   2.623 -17.311  -0.677
  307    H3     U  29           H3         U  29  -1.589 -19.131  -0.029
  308    H5     U  29           H5         U  29  -0.657 -19.619  -4.099
  309    H6     U  29           H6         U  29   1.563 -19.040  -3.633
  310   1H5*    C  30          1H5*        C  30   6.078 -20.604   1.090
  311   2H5*    C  30          2H5*        C  30   6.595 -22.240   1.532
  312    H4*    C  30           H4*        C  30   5.382 -21.087   3.347
  313    H3*    C  30           H3*        C  30   3.936 -23.475   2.129
  314    H2*    C  30           H2*        C  30   2.344 -23.261   3.906
  315   2HO*    C  30          2HO*        C  30   4.358 -22.639   5.300
  316    H1*    C  30           H1*        C  30   2.366 -20.461   3.858
  317   1H4     C  30          1H4         C  30  -2.946 -21.953   0.795
  318   2H4     C  30          2H4         C  30  -2.108 -22.214  -0.723
  319    H5     C  30           H5         C  30   0.428 -22.317  -0.803
  320    H6     C  30           H6         C  30   2.426 -21.983   0.500
  321    H3T    C  30           HE         C  30   4.944 -24.588   3.729
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1 -11.807 -20.397   7.938
    2   2H5*    G   1          2H5*        G   1 -11.312 -21.460   6.607
    3    H4*    G   1           H4*        G   1  -9.912 -21.425   9.149
    4    H3*    G   1           H3*        G   1  -9.355 -19.880   6.622
    5    H2*    G   1           H2*        G   1  -7.011 -20.042   7.184
    6   2HO*    G   1          2HO*        G   1  -7.639 -19.813   9.533
    7    H1*    G   1           H1*        G   1  -7.127 -22.678   7.868
    8    H8     G   1           H8         G   1  -9.439 -22.275   4.886
    9    H1     G   1           H1         G   1  -3.206 -22.134   3.320
   10   1H2     G   1          1H2         G   1  -1.962 -21.935   5.223
   11   2H2     G   1          2H2         G   1  -2.724 -21.907   6.809
   12   1H5*    G   2          1H5*        G   2  -6.820 -18.150   9.651
   13   2H5*    G   2          2H5*        G   2  -6.683 -16.405   9.393
   14    H4*    G   2           H4*        G   2  -4.460 -17.648   9.305
   15    H3*    G   2           H3*        G   2  -5.324 -16.191   6.798
   16    H2*    G   2           H2*        G   2  -3.080 -16.642   6.099
   17   2HO*    G   2          2HO*        G   2  -2.270 -16.246   8.325
   18    H1*    G   2           H1*        G   2  -3.072 -19.246   7.043
   19    H8     G   2           H8         G   2  -6.387 -18.713   5.324
   20    H1     G   2           H1         G   2  -1.392 -18.946   1.245
   21   1H2     G   2          1H2         G   2   0.512 -18.881   2.394
   22   2H2     G   2          2H2         G   2   0.529 -18.850   4.154
   23   1H5*    C   3          1H5*        C   3  -1.684 -14.628   8.430
   24   2H5*    C   3          2H5*        C   3  -1.316 -12.959   8.004
   25    H4*    C   3           H4*        C   3   0.269 -14.829   7.219
   26    H3*    C   3           H3*        C   3  -0.904 -12.855   5.198
   27    H2*    C   3           H2*        C   3   0.448 -13.876   3.516
   28   2HO*    C   3          2HO*        C   3   2.228 -14.043   5.136
   29    H1*    C   3           H1*        C   3  -0.002 -16.449   4.352
   30   1H4     C   3          1H4         C   3  -4.092 -15.684  -0.408
   31   2H4     C   3          2H4         C   3  -5.321 -15.082   0.681
   32    H5     C   3           H5         C   3  -4.820 -14.582   3.098
   33    H6     C   3           H6         C   3  -3.105 -14.632   4.769
   34   1H5*    A   4          1H5*        A   4   1.248  -8.831   4.321
   35   2H5*    A   4          2H5*        A   4   0.161  -9.509   3.113
   36    H4*    A   4           H4*        A   4   2.912 -10.480   3.940
   37    H3*    A   4           H3*        A   4   1.600  -9.365   1.498
   38    H2*    A   4           H2*        A   4   2.384 -10.947  -0.025
   39   2HO*    A   4          2HO*        A   4   4.490 -10.813   1.334
   40    H1*    A   4           H1*        A   4   2.089 -13.185   1.467
   41    H8     A   4           H8         A   4  -0.865 -11.727   2.924
   42   1H6     A   4          1H6         A   4  -3.952 -13.001  -2.260
   43   2H6     A   4          2H6         A   4  -4.029 -12.574  -0.558
   44    H2     A   4           H2         A   4   0.450 -13.180  -3.205
   45   1H5*    C   5          1H5*        C   5   5.222  -8.388  -0.145
   46   2H5*    C   5          2H5*        C   5   5.151  -6.716  -0.733
   47    H4*    C   5           H4*        C   5   5.026  -8.445  -2.541
   48    H3*    C   5           H3*        C   5   2.558  -6.710  -2.195
   49    H2*    C   5           H2*        C   5   1.754  -7.786  -4.203
   50   2HO*    C   5          2HO*        C   5   4.070  -7.752  -5.004
   51    H1*    C   5           H1*        C   5   2.541 -10.313  -3.449
   52   1H4     C   5          1H4         C   5  -3.655  -9.596  -2.101
   53   2H4     C   5          2H4         C   5  -3.296  -8.841  -0.561
   54    H5     C   5           H5         C   5  -0.938  -8.372   0.169
   55    H6     C   5           H6         C   5   1.362  -8.444  -0.533
   56   1H5*    U   6          1H5*        U   6   3.281  -6.351  -6.284
   57   2H5*    U   6          2H5*        U   6   2.990  -4.722  -6.905
   58    H4*    U   6           H4*        U   6   1.545  -6.517  -7.923
   59    H3*    U   6           H3*        U   6   0.170  -4.263  -6.449
   60    H2*    U   6           H2*        U   6  -1.937  -5.250  -7.005
   61   2HO*    U   6          2HO*        U   6  -1.005  -5.820  -9.158
   62    H1*    U   6           H1*        U   6  -1.209  -7.824  -6.487
   63    H3     U   6           H3         U   6  -4.219  -6.518  -3.287
   64    H5     U   6           H5         U   6  -0.403  -5.645  -1.736
   65    H6     U   6           H6         U   6   0.517  -6.017  -3.903
   66   1H5*    C   7          1H5*        C   7  -0.662  -3.343 -10.774
   67   2H5*    C   7          2H5*        C   7  -0.797  -1.609 -11.126
   68    H4*    C   7           H4*        C   7  -3.039  -2.762 -10.698
   69    H3*    C   7           H3*        C   7  -2.168  -0.598  -8.752
   70    H2*    C   7           H2*        C   7  -4.319  -0.808  -7.793
   71   2HO*    C   7          2HO*        C   7  -5.538  -0.758  -9.697
   72    H1*    C   7           H1*        C   7  -4.499  -3.597  -8.361
   73   1H4     C   7          1H4         C   7  -4.078  -3.223  -2.093
   74   2H4     C   7          2H4         C   7  -2.325  -3.101  -2.097
   75    H5     C   7           H5         C   7  -1.057  -2.902  -4.337
   76    H6     C   7           H6         C   7  -1.384  -2.715  -6.705
   77   1H5*    U   8          1H5*        U   8  -6.025   0.223 -11.407
   78   2H5*    U   8          2H5*        U   8  -6.154   1.986 -11.555
   79    H4*    U   8           H4*        U   8  -8.317   0.870 -10.962
   80    H3*    U   8           H3*        U   8  -7.155   2.814  -8.944
   81    H2*    U   8           H2*        U   8  -9.227   2.542  -7.738
   82   2HO*    U   8          2HO*        U   8 -10.389   2.466  -9.846
   83    H1*    U   8           H1*        U   8  -9.335  -0.189  -8.047
   84    H3     U   8           H3         U   8  -8.509   0.533  -3.598
   85    H5     U   8           H5         U   8  -4.750   0.783  -5.485
   86    H6     U   8           H6         U   8  -5.865   0.802  -7.613
   87   1H5*    G   9          1H5*        G   9 -11.297   4.240  -9.765
   88   2H5*    G   9          2H5*        G   9 -11.348   5.994  -9.512
   89    H4*    G   9           H4*        G   9 -12.842   4.640  -7.983
   90    H3*    G   9           H3*        G   9 -10.694   6.354  -6.712
   91    H2*    G   9           H2*        G   9 -11.640   5.697  -4.573
   92   2HO*    G   9          2HO*        G   9 -13.837   5.734  -5.599
   93    H1*    G   9           H1*        G   9 -11.798   3.050  -5.196
   94    H8     G   9           H8         G   9  -8.597   4.432  -6.793
   95    H1     G   9           H1         G   9  -8.129   3.177  -0.512
   96   1H2     G   9          1H2         G   9 -10.210   3.031   0.381
   97   2H2     G   9          2H2         G   9 -11.623   2.981  -0.666
   98   1H5*    G  10          1H5*        G  10 -14.549   7.213  -4.669
   99   2H5*    G  10          2H5*        G  10 -14.575   8.897  -4.128
  100    H4*    G  10           H4*        G  10 -14.844   7.133  -2.312
  101    H3*    G  10           H3*        G  10 -12.589   9.141  -2.113
  102    H2*    G  10           H2*        G  10 -12.105   8.179   0.057
  103   2HO*    G  10          2HO*        G  10 -14.502   7.907   0.370
  104    H1*    G  10           H1*        G  10 -12.334   5.580  -0.766
  105    H8     G  10           H8         G  10 -10.609   7.364  -3.625
  106    H1     G  10           H1         G  10  -6.761   6.129   1.373
  107   1H2     G  10          1H2         G  10  -8.027   5.768   3.228
  108   2H2     G  10          2H2         G  10  -9.778   5.635   3.108
  109   1H5*    U  11          1H5*        U  11 -14.665   9.179   1.809
  110   2H5*    U  11          2H5*        U  11 -14.647  10.835   2.443
  111    H4*    U  11           H4*        U  11 -13.466   9.147   3.939
  112    H3*    U  11           H3*        U  11 -11.778  11.399   2.857
  113    H2*    U  11           H2*        U  11 -10.122  10.511   4.380
  114   2HO*    U  11          2HO*        U  11 -11.644  10.023   6.057
  115    H1*    U  11           H1*        U  11 -10.494   7.920   3.650
  116    H3     U  11           H3         U  11  -6.464   9.353   2.053
  117    H5     U  11           H5         U  11  -9.286  10.554  -0.842
  118    H6     U  11           H6         U  11 -11.033   9.981   0.695
  119   1H5*    A  12          1H5*        A  12 -12.939  12.435   7.162
  120   2H5*    A  12          2H5*        A  12 -12.447  14.063   7.659
  121    H4*    A  12           H4*        A  12 -10.964  12.108   8.413
  122    H3*    A  12           H3*        A  12  -9.755  14.410   6.896
  123    H2*    A  12           H2*        A  12  -7.630  13.368   7.288
  124   2HO*    A  12          2HO*        A  12  -8.044  12.795   9.468
  125    H1*    A  12           H1*        A  12  -8.529  10.789   6.691
  126    H8     A  12           H8         A  12 -10.105  13.203   4.317
  127   1H6     A  12          1H6         A  12  -5.002  12.760   0.872
  128   2H6     A  12          2H6         A  12  -6.693  13.231   0.945
  129    H2     A  12           H2         A  12  -4.006  11.287   5.004
  130   1H5*    U  13          1H5*        U  13  -6.490  15.808  11.189
  131   2H5*    U  13          2H5*        U  13  -6.582  16.438   9.547
  132    H4*    U  13           H4*        U  13  -4.938  14.126  10.596
  133    H3*    U  13           H3*        U  13  -4.603  16.621   8.917
  134    H2*    U  13           H2*        U  13  -2.868  15.697   7.645
  135   2HO*    U  13          2HO*        U  13  -2.158  14.580   9.766
  136    H1*    U  13           H1*        U  13  -4.032  13.250   7.276
  137    H3     U  13           H3         U  13  -4.635  15.176   3.203
  138    H5     U  13           H5         U  13  -7.961  16.269   5.555
  139    H6     U  13           H6         U  13  -6.715  15.628   7.504
  140   1H5*    C  14          1H5*        C  14  -0.928  16.446   9.597
  141   2H5*    C  14          2H5*        C  14  -0.284  17.964  10.255
  142    H4*    C  14           H4*        C  14   0.792  17.612   8.161
  143    H3*    C  14           H3*        C  14  -1.477  19.555   7.697
  144    H2*    C  14           H2*        C  14  -0.385  19.887   5.509
  145   2HO*    C  14          2HO*        C  14   1.497  18.736   4.996
  146    H1*    C  14           H1*        C  14  -0.382  17.193   5.093
  147   1H4     C  14          1H4         C  14  -6.099  19.152   3.058
  148   2H4     C  14          2H4         C  14  -6.775  19.078   4.671
  149    H5     C  14           H5         C  14  -5.359  18.484   6.660
  150    H6     C  14           H6         C  14  -3.144  17.981   7.369
  151   1H5*    A  15          1H5*        A  15  -0.530  23.020   6.334
  152   2H5*    A  15          2H5*        A  15   0.639  21.700   6.092
  153    H4*    A  15           H4*        A  15   0.960  24.671   5.784
  154    H3*    A  15           H3*        A  15   0.529  22.742   3.918
  155    H2*    A  15           H2*        A  15   2.208  21.249   4.612
  156   2HO*    A  15          2HO*        A  15   3.681  21.242   2.958
  157    H1*    A  15           H1*        A  15   4.131  23.562   4.749
  158    H8     A  15           H8         A  15   3.458  19.991   5.877
  159   1H6     A  15          1H6         A  15   8.735  20.407   9.075
  160   2H6     A  15          2H6         A  15   7.441  19.347   8.523
  161    H2     A  15           H2         A  15   7.765  24.477   7.519
  162   1H5*    C  16          1H5*        C  16   0.725  22.500   1.125
  163   2H5*    C  16          2H5*        C  16   0.872  23.965   0.187
  164    H4*    C  16           H4*        C  16  -0.465  22.466  -1.001
  165    H3*    C  16           H3*        C  16  -1.508  24.955  -0.675
  166    H2*    C  16           H2*        C  16  -2.631  24.539   1.395
  167   2HO*    C  16          2HO*        C  16  -4.241  24.198  -0.858
  168    H1*    C  16           H1*        C  16  -3.781  21.983   0.338
  169   1H4     C  16          1H4         C  16  -4.734  21.903   6.748
  170   2H4     C  16          2H4         C  16  -3.008  21.764   7.033
  171    H5     C  16           H5         C  16  -1.402  21.668   5.132
  172    H6     C  16           H6         C  16  -1.126  21.895   2.792
  173   1H5*    G  17          1H5*        G  17  -0.857  21.586  -4.459
  174   2H5*    G  17          2H5*        G  17  -0.880  21.369  -2.711
  175    H4*    G  17           H4*        G  17   1.564  22.093  -4.407
  176    H3*    G  17           H3*        G  17   0.736  19.566  -2.926
  177    H2*    G  17           H2*        G  17   3.008  19.150  -2.530
  178   2HO*    G  17          2HO*        G  17   3.283  19.859  -4.933
  179    H1*    G  17           H1*        G  17   3.770  21.896  -2.454
  180    H8     G  17           H8         G  17   5.189  21.048  -0.423
  181    H1     G  17           H1         G  17   0.024  18.631   2.508
  182   1H2     G  17          1H2         G  17  -1.713  18.639   1.170
  183   2H2     G  17          2H2         G  17  -1.618  19.327  -0.442
  184   1H5*    G  18          1H5*        G  18   3.175  17.570  -4.274
  185   2H5*    G  18          2H5*        G  18   2.730  15.906  -4.672
  186    H4*    G  18           H4*        G  18   3.977  16.485  -2.407
  187    H3*    G  18           H3*        G  18   1.634  14.584  -2.594
  188    H2*    G  18           H2*        G  18   1.931  14.192  -0.238
  189   2HO*    G  18          2HO*        G  18   4.352  14.405  -0.603
  190    H1*    G  18           H1*        G  18   2.259  16.819   0.444
  191    H8     G  18           H8         G  18  -0.386  16.511  -2.286
  192    H1     G  18           H1         G  18  -2.467  14.780   3.549
  193   1H2     G  18          1H2         G  18  -0.699  14.494   4.918
  194   2H2     G  18          2H2         G  18   0.929  14.888   4.395
  195   1H5*    U  19          1H5*        U  19   4.714  12.651  -0.142
  196   2H5*    U  19          2H5*        U  19   4.680  10.903  -0.377
  197    H4*    U  19           H4*        U  19   4.264  11.743   1.983
  198    H3*    U  19           H3*        U  19   2.178   9.945   0.701
  199    H2*    U  19           H2*        U  19   1.145   9.926   2.884
  200   2HO*    U  19          2HO*        U  19   3.133   9.845   4.052
  201    H1*    U  19           H1*        U  19   1.325  12.607   3.264
  202    H3     U  19           H3         U  19  -3.109  11.779   2.309
  203    H5     U  19           H5         U  19  -1.200  12.271  -1.411
  204    H6     U  19           H6         U  19   0.902  12.188  -0.303
  205   1H5*    A  20          1H5*        A  20   3.855   7.857   4.221
  206   2H5*    A  20          2H5*        A  20   3.675   6.097   4.079
  207    H4*    A  20           H4*        A  20   2.409   7.157   5.982
  208    H3*    A  20           H3*        A  20   0.718   5.669   3.916
  209    H2*    A  20           H2*        A  20  -1.101   6.115   5.321
  210   2HO*    A  20          2HO*        A  20  -0.932   7.014   7.322
  211    H1*    A  20           H1*        A  20  -0.646   8.613   5.671
  212    H8     A  20           H8         A  20   0.594   7.980   2.076
  213   1H6     A  20          1H6         A  20  -5.165   9.118   0.282
  214   2H6     A  20          2H6         A  20  -3.504   8.820  -0.170
  215    H2     A  20           H2         A  20  -5.198   8.663   4.788
  216   1H5*    C  21          1H5*        C  21  -0.650   4.749   7.517
  217   2H5*    C  21          2H5*        C  21  -0.998   3.124   7.805
  218    H4*    C  21           H4*        C  21  -2.982   4.479   8.175
  219    H3*    C  21           H3*        C  21  -3.263   2.691   5.723
  220    H2*    C  21           H2*        C  21  -5.502   3.522   5.579
  221   2HO*    C  21          2HO*        C  21  -5.630   3.567   7.988
  222    H1*    C  21           H1*        C  21  -4.797   6.133   5.887
  223   1H4     C  21          1H4         C  21  -4.772   5.705  -0.353
  224   2H4     C  21          2H4         C  21  -3.068   5.291  -0.383
  225    H5     C  21           H5         C  21  -1.804   4.768   1.737
  226    H6     C  21           H6         C  21  -1.973   4.667   4.108
  227   1H5*    C  22          1H5*        C  22  -6.720   1.915   8.195
  228   2H5*    C  22          2H5*        C  22  -7.259   0.231   8.032
  229    H4*    C  22           H4*        C  22  -8.923   1.986   7.246
  230    H3*    C  22           H3*        C  22  -7.928  -0.080   5.258
  231    H2*    C  22           H2*        C  22  -9.450   0.870   3.683
  232   2HO*    C  22          2HO*        C  22 -10.978   1.217   5.589
  233    H1*    C  22           H1*        C  22  -8.901   3.489   4.321
  234   1H4     C  22          1H4         C  22  -5.523   2.549  -0.889
  235   2H4     C  22          2H4         C  22  -4.132   1.975   0.010
  236    H5     C  22           H5         C  22  -4.235   1.665   2.528
  237    H6     C  22           H6         C  22  -5.668   1.784   4.432
  238   1H5*    U  23          1H5*        U  23 -12.087  -0.155   4.527
  239   2H5*    U  23          2H5*        U  23 -12.601  -1.826   4.248
  240    H4*    U  23           H4*        U  23 -12.979  -0.331   2.293
  241    H3*    U  23           H3*        U  23 -10.988  -2.583   1.887
  242    H2*    U  23           H2*        U  23 -10.991  -1.932  -0.455
  243   2HO*    U  23          2HO*        U  23 -13.331  -1.469  -0.345
  244    H1*    U  23           H1*        U  23 -10.863   0.743   0.068
  245    H3     U  23           H3         U  23  -6.777  -0.183  -1.642
  246    H5     U  23           H5         U  23  -6.573  -1.571   2.330
  247    H6     U  23           H6         U  23  -8.928  -1.143   2.548
  248   1H5*    U  24          1H5*        U  24 -14.207  -2.732  -1.202
  249   2H5*    U  24          2H5*        U  24 -14.433  -4.394  -1.761
  250    H4*    U  24           H4*        U  24 -13.826  -2.705  -3.558
  251    H3*    U  24           H3*        U  24 -11.995  -5.082  -3.120
  252    H2*    U  24           H2*        U  24 -10.875  -4.350  -5.150
  253   2HO*    U  24          2HO*        U  24 -13.068  -3.705  -6.002
  254    H1*    U  24           H1*        U  24 -10.871  -1.691  -4.425
  255    H3     U  24           H3         U  24  -6.499  -2.885  -4.124
  256    H5     U  24           H5         U  24  -8.225  -4.511  -0.669
  257    H6     U  24           H6         U  24 -10.417  -3.965  -1.543
  258   1H5*    U  25          1H5*        U  25 -13.030  -5.142  -7.309
  259   2H5*    U  25          2H5*        U  25 -13.212  -6.821  -7.841
  260    H4*    U  25           H4*        U  25 -11.490  -5.594  -9.127
  261    H3*    U  25           H3*        U  25 -10.414  -7.872  -7.412
  262    H2*    U  25           H2*        U  25  -8.356  -7.532  -8.554
  263   2HO*    U  25          2HO*        U  25  -9.601  -7.070 -10.577
  264    H1*    U  25           H1*        U  25  -8.433  -4.796  -8.317
  265    H3     U  25           H3         U  25  -5.188  -6.184  -5.411
  266    H5     U  25           H5         U  25  -8.772  -6.745  -3.324
  267    H6     U  25           H6         U  25  -9.986  -6.306  -5.362
  268   1H5*    G  26          1H5*        G  26  -9.385  -8.975 -11.372
  269   2H5*    G  26          2H5*        G  26  -9.439 -10.738 -11.568
  270    H4*    G  26           H4*        G  26  -7.165  -9.731 -11.912
  271    H3*    G  26           H3*        G  26  -7.466 -11.636  -9.566
  272    H2*    G  26           H2*        G  26  -5.049 -11.484  -9.378
  273   2HO*    G  26          2HO*        G  26  -4.923 -11.377 -11.794
  274    H1*    G  26           H1*        G  26  -5.045  -8.733  -9.637
  275    H8     G  26           H8         G  26  -8.059  -9.446  -7.509
  276    H1     G  26           H1         G  26  -2.479 -10.211  -4.395
  277   1H2     G  26          1H2         G  26  -0.783 -10.393  -5.929
  278   2H2     G  26          2H2         G  26  -1.114 -10.206  -7.645
  279   1H5*    U  27          1H5*        U  27  -4.214 -13.125 -12.107
  280   2H5*    U  27          2H5*        U  27  -4.227 -14.897 -12.106
  281    H4*    U  27           H4*        U  27  -2.052 -13.901 -11.399
  282    H3*    U  27           H3*        U  27  -3.494 -15.517  -9.264
  283    H2*    U  27           H2*        U  27  -1.434 -15.338  -8.053
  284   2HO*    U  27          2HO*        U  27  -0.056 -15.533  -9.902
  285    H1*    U  27           H1*        U  27  -1.197 -12.657  -8.492
  286    H3     U  27           H3         U  27  -2.387 -13.395  -4.098
  287    H5     U  27           H5         U  27  -6.006 -13.407  -6.257
  288    H6     U  27           H6         U  27  -4.745 -13.391  -8.297
  289   1H5*    G  28          1H5*        G  28   0.429 -17.456 -10.139
  290   2H5*    G  28          2H5*        G  28   0.449 -19.133  -9.567
  291    H4*    G  28           H4*        G  28   2.097 -17.467  -8.504
  292    H3*    G  28           H3*        G  28   0.341 -19.107  -6.706
  293    H2*    G  28           H2*        G  28   1.598 -18.072  -4.886
  294   2HO*    G  28          2HO*        G  28   3.338 -16.749  -5.250
  295    H1*    G  28           H1*        G  28   1.277 -15.543  -5.843
  296    H8     G  28           H8         G  28  -1.973 -17.049  -6.872
  297    H1     G  28           H1         G  28  -1.588 -16.132  -0.530
  298   1H2     G  28          1H2         G  28   0.592 -15.938   0.085
  299   2H2     G  28          2H2         G  28   1.862 -15.852  -1.126
  300   1H5*    U  29          1H5*        U  29   4.148 -19.456  -5.277
  301   2H5*    U  29          2H5*        U  29   4.641 -21.099  -4.832
  302    H4*    U  29           H4*        U  29   4.793 -19.561  -2.921
  303    H3*    U  29           H3*        U  29   2.650 -21.704  -2.681
  304    H2*    U  29           H2*        U  29   2.292 -20.972  -0.453
  305   2HO*    U  29          2HO*        U  29   4.696 -20.516  -0.311
  306    H1*    U  29           H1*        U  29   2.223 -18.323  -1.080
  307    H3     U  29           H3         U  29  -2.209 -19.512  -0.430
  308    H5     U  29           H5         U  29  -1.385 -20.032  -4.520
  309    H6     U  29           H6         U  29   0.898 -19.794  -4.067
  310   1H5*    C  30          1H5*        C  30   5.191 -22.136   0.582
  311   2H5*    C  30          2H5*        C  30   5.472 -23.836   0.999
  312    H4*    C  30           H4*        C  30   4.476 -22.534   2.849
  313    H3*    C  30           H3*        C  30   2.690 -24.687   1.640
  314    H2*    C  30           H2*        C  30   1.184 -24.284   3.455
  315   2HO*    C  30          2HO*        C  30   3.291 -23.964   4.808
  316    H1*    C  30           H1*        C  30   1.582 -21.514   3.432
  317   1H4     C  30          1H4         C  30  -3.949 -22.159   0.516
  318   2H4     C  30          2H4         C  30  -3.202 -22.436  -1.048
  319    H5     C  30           H5         C  30  -0.700 -22.902  -1.219
  320    H6     C  30           H6         C  30   1.355 -22.909   0.035
  321    H3T    C  30           HE         C  30   3.567 -25.946   3.215
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1 -11.149 -19.850   6.497
    2   2H5*    G   1          2H5*        G   1 -10.549 -21.000   5.296
    3    H4*    G   1           H4*        G   1  -9.798 -21.110   8.098
    4    H3*    G   1           H3*        G   1  -8.405 -19.861   5.735
    5    H2*    G   1           H2*        G   1  -6.298 -20.428   6.810
    6   2HO*    G   1          2HO*        G   1  -7.261 -20.050   8.976
    7    H1*    G   1           H1*        G   1  -6.992 -22.994   7.205
    8    H8     G   1           H8         G   1  -8.957 -22.256   4.112
    9    H1     G   1           H1         G   1  -2.643 -22.128   2.925
   10   1H2     G   1          1H2         G   1  -1.501 -22.218   4.891
   11   2H2     G   1          2H2         G   1  -2.344 -22.427   6.422
   12   1H5*    G   2          1H5*        G   2  -6.380 -18.407   9.206
   13   2H5*    G   2          2H5*        G   2  -5.870 -16.732   9.000
   14    H4*    G   2           H4*        G   2  -4.061 -18.485   9.540
   15    H3*    G   2           H3*        G   2  -3.738 -16.645   7.187
   16    H2*    G   2           H2*        G   2  -1.618 -17.641   6.743
   17   2HO*    G   2          2HO*        G   2  -1.314 -17.912   9.126
   18    H1*    G   2           H1*        G   2  -2.522 -20.193   6.897
   19    H8     G   2           H8         G   2  -5.609 -19.025   5.384
   20    H1     G   2           H1         G   2  -0.701 -18.261   1.326
   21   1H2     G   2          1H2         G   2   1.239 -18.343   2.447
   22   2H2     G   2          2H2         G   2   1.284 -18.532   4.198
   23   1H5*    C   3          1H5*        C   3  -3.258 -12.582   7.952
   24   2H5*    C   3          2H5*        C   3  -4.023 -13.327   6.556
   25    H4*    C   3           H4*        C   3  -1.282 -14.026   7.723
   26    H3*    C   3           H3*        C   3  -2.318 -12.549   5.290
   27    H2*    C   3           H2*        C   3  -0.342 -13.188   4.104
   28   2HO*    C   3          2HO*        C   3   0.888 -12.995   6.202
   29    H1*    C   3           H1*        C   3  -0.513 -15.801   4.833
   30   1H4     C   3          1H4         C   3  -4.116 -15.546  -0.438
   31   2H4     C   3          2H4         C   3  -5.539 -15.337   0.552
   32    H5     C   3           H5         C   3  -5.425 -15.042   3.012
   33    H6     C   3           H6         C   3  -3.935 -14.895   4.893
   34   1H5*    A   4          1H5*        A   4   1.575 -10.891   5.904
   35   2H5*    A   4          2H5*        A   4   1.639  -9.157   5.526
   36    H4*    A   4           H4*        A   4   3.082 -10.610   4.065
   37    H3*    A   4           H3*        A   4   0.869  -9.000   2.762
   38    H2*    A   4           H2*        A   4   1.655  -9.791   0.649
   39   2HO*    A   4          2HO*        A   4   3.914  -9.579   1.504
   40    H1*    A   4           H1*        A   4   2.016 -12.385   1.422
   41    H8     A   4           H8         A   4  -1.153 -11.247   3.168
   42   1H6     A   4          1H6         A   4  -4.105 -12.781  -2.034
   43   2H6     A   4          2H6         A   4  -4.237 -12.365  -0.333
   44    H2     A   4           H2         A   4   0.299 -12.639  -2.938
   45   1H5*    C   5          1H5*        C   5   4.510  -7.824   0.600
   46   2H5*    C   5          2H5*        C   5   4.368  -6.140   0.056
   47    H4*    C   5           H4*        C   5   4.513  -7.852  -1.804
   48    H3*    C   5           H3*        C   5   1.999  -6.159  -1.650
   49    H2*    C   5           H2*        C   5   1.351  -7.230  -3.714
   50   2HO*    C   5          2HO*        C   5   3.727  -7.174  -4.331
   51    H1*    C   5           H1*        C   5   2.088  -9.754  -2.923
   52   1H4     C   5          1H4         C   5  -4.177  -9.297  -1.915
   53   2H4     C   5          2H4         C   5  -3.929  -8.525  -0.364
   54    H5     C   5           H5         C   5  -1.644  -7.927   0.479
   55    H6     C   5           H6         C   5   0.679  -7.885  -0.094
   56   1H5*    U   6          1H5*        U   6   3.010  -5.807  -5.695
   57   2H5*    U   6          2H5*        U   6   2.717  -4.191  -6.343
   58    H4*    U   6           H4*        U   6   1.393  -6.031  -7.438
   59    H3*    U   6           H3*        U   6  -0.143  -3.798  -6.093
   60    H2*    U   6           H2*        U   6  -2.179  -4.848  -6.770
   61   2HO*    U   6          2HO*        U   6  -1.061  -5.425  -8.845
   62    H1*    U   6           H1*        U   6  -1.431  -7.391  -6.169
   63    H3     U   6           H3         U   6  -4.653  -6.147  -3.168
   64    H5     U   6           H5         U   6  -0.964  -5.157  -1.404
   65    H6     U   6           H6         U   6   0.085  -5.494  -3.515
   66   1H5*    C   7          1H5*        C   7  -0.718  -2.977 -10.467
   67   2H5*    C   7          2H5*        C   7  -0.880  -1.254 -10.853
   68    H4*    C   7           H4*        C   7  -3.109  -2.470 -10.552
   69    H3*    C   7           H3*        C   7  -2.431  -0.248  -8.597
   70    H2*    C   7           H2*        C   7  -4.632  -0.515  -7.769
   71   2HO*    C   7          2HO*        C   7  -5.742  -0.535  -9.725
   72    H1*    C   7           H1*        C   7  -4.692  -3.314  -8.300
   73   1H4     C   7          1H4         C   7  -4.678  -2.890  -2.016
   74   2H4     C   7          2H4         C   7  -2.937  -2.697  -1.917
   75    H5     C   7           H5         C   7  -1.541  -2.464  -4.074
   76    H6     C   7           H6         C   7  -1.722  -2.300  -6.457
   77   1H5*    U   8          1H5*        U   8  -6.170   0.440 -11.444
   78   2H5*    U   8          2H5*        U   8  -6.348   2.198 -11.599
   79    H4*    U   8           H4*        U   8  -8.492   1.025 -11.051
   80    H3*    U   8           H3*        U   8  -7.419   2.995  -9.007
   81    H2*    U   8           H2*        U   8  -9.502   2.671  -7.838
   82   2HO*    U   8          2HO*        U   8 -10.609   2.585  -9.983
   83    H1*    U   8           H1*        U   8  -9.559  -0.061  -8.184
   84    H3     U   8           H3         U   8  -8.840   0.431  -3.704
   85    H5     U   8           H5         U   8  -5.073   1.056  -5.482
   86    H6     U   8           H6         U   8  -6.148   1.151  -7.632
   87   1H5*    G   9          1H5*        G   9 -11.538   4.396  -9.838
   88   2H5*    G   9          2H5*        G   9 -11.568   6.154  -9.605
   89    H4*    G   9           H4*        G   9 -13.067   4.867  -8.044
   90    H3*    G   9           H3*        G   9 -10.833   6.492  -6.799
   91    H2*    G   9           H2*        G   9 -11.787   5.877  -4.652
   92   2HO*    G   9          2HO*        G   9 -13.986   6.026  -5.643
   93    H1*    G   9           H1*        G   9 -12.083   3.240  -5.281
   94    H8     G   9           H8         G   9  -8.822   4.509  -6.866
   95    H1     G   9           H1         G   9  -8.409   3.135  -0.604
   96   1H2     G   9          1H2         G   9 -10.497   3.055   0.285
   97   2H2     G   9          2H2         G   9 -11.908   3.066  -0.765
   98   1H5*    G  10          1H5*        G  10 -14.640   7.550  -4.745
   99   2H5*    G  10          2H5*        G  10 -14.569   9.231  -4.198
  100    H4*    G  10           H4*        G  10 -14.942   7.472  -2.393
  101    H3*    G  10           H3*        G  10 -12.591   9.364  -2.172
  102    H2*    G  10           H2*        G  10 -12.155   8.364  -0.012
  103   2HO*    G  10          2HO*        G  10 -14.559   8.224   0.308
  104    H1*    G  10           H1*        G  10 -12.530   5.784  -0.838
  105    H8     G  10           H8         G  10 -10.698   7.487  -3.680
  106    H1     G  10           H1         G  10  -6.940   6.002   1.320
  107   1H2     G  10          1H2         G  10  -8.228   5.695   3.165
  108   2H2     G  10          2H2         G  10  -9.983   5.648   3.041
  109   1H5*    U  11          1H5*        U  11 -14.729   9.521   1.742
  110   2H5*    U  11          2H5*        U  11 -14.595  11.165   2.391
  111    H4*    U  11           H4*        U  11 -13.551   9.361   3.860
  112    H3*    U  11           H3*        U  11 -11.719  11.549   2.874
  113    H2*    U  11           H2*        U  11 -10.110  10.517   4.345
  114   2HO*    U  11          2HO*        U  11 -11.718  10.073   5.984
  115    H1*    U  11           H1*        U  11 -10.626   7.972   3.546
  116    H3     U  11           H3         U  11  -6.533   9.202   1.959
  117    H5     U  11           H5         U  11  -9.297  10.664  -0.869
  118    H6     U  11           H6         U  11 -11.055  10.170   0.664
  119   1H5*    A  12          1H5*        A  12 -12.968  12.565   7.204
  120   2H5*    A  12          2H5*        A  12 -12.414  14.161   7.730
  121    H4*    A  12           H4*        A  12 -10.974  12.159   8.408
  122    H3*    A  12           H3*        A  12  -9.739  14.457   6.904
  123    H2*    A  12           H2*        A  12  -7.630  13.366   7.255
  124   2HO*    A  12          2HO*        A  12  -8.025  12.774   9.435
  125    H1*    A  12           H1*        A  12  -8.582  10.821   6.649
  126    H8     A  12           H8         A  12 -10.143  13.286   4.313
  127   1H6     A  12          1H6         A  12  -5.155  12.607   0.744
  128   2H6     A  12          2H6         A  12  -6.822  13.153   0.854
  129    H2     A  12           H2         A  12  -4.101  11.154   4.865
  130   1H5*    U  13          1H5*        U  13  -6.414  15.730  11.216
  131   2H5*    U  13          2H5*        U  13  -6.495  16.398   9.589
  132    H4*    U  13           H4*        U  13  -4.879  14.055  10.596
  133    H3*    U  13           H3*        U  13  -4.524  16.533   8.889
  134    H2*    U  13           H2*        U  13  -2.793  15.543   7.624
  135   2HO*    U  13          2HO*        U  13  -2.122  14.427   9.753
  136    H1*    U  13           H1*        U  13  -4.044  13.149   7.262
  137    H3     U  13           H3         U  13  -4.707  15.046   3.187
  138    H5     U  13           H5         U  13  -7.904  16.317   5.621
  139    H6     U  13           H6         U  13  -6.639  15.636   7.540
  140   1H5*    C  14          1H5*        C  14  -0.776  16.180   9.526
  141   2H5*    C  14          2H5*        C  14  -0.049  17.688  10.115
  142    H4*    C  14           H4*        C  14   0.991  17.169   8.031
  143    H3*    C  14           H3*        C  14  -1.106  19.285   7.521
  144    H2*    C  14           H2*        C  14  -0.027  19.416   5.301
  145   2HO*    C  14          2HO*        C  14   1.785  18.119   4.847
  146    H1*    C  14           H1*        C  14  -0.232  16.730   4.984
  147   1H4     C  14          1H4         C  14  -5.826  19.024   2.928
  148   2H4     C  14          2H4         C  14  -6.477  19.057   4.553
  149    H5     C  14           H5         C  14  -5.086  18.453   6.541
  150    H6     C  14           H6         C  14  -2.904  17.815   7.249
  151   1H5*    A  15          1H5*        A  15   0.130  22.684   6.217
  152   2H5*    A  15          2H5*        A  15   1.133  21.246   5.963
  153    H4*    A  15           H4*        A  15   1.737  24.140   5.478
  154    H3*    A  15           H3*        A  15   1.189  22.070   3.804
  155    H2*    A  15           H2*        A  15   2.732  20.504   4.669
  156   2HO*    A  15          2HO*        A  15   3.720  21.979   2.531
  157    H1*    A  15           H1*        A  15   4.880  22.578   4.713
  158    H8     A  15           H8         A  15   3.204  19.871   6.913
  159   1H6     A  15          1H6         A  15   8.952  18.794   8.975
  160   2H6     A  15          2H6         A  15   7.266  18.289   9.039
  161    H2     A  15           H2         A  15   9.124  22.247   6.157
  162   1H5*    C  16          1H5*        C  16   1.518  21.747   0.737
  163   2H5*    C  16          2H5*        C  16   1.517  23.180  -0.249
  164    H4*    C  16           H4*        C  16   0.143  21.492  -1.189
  165    H3*    C  16           H3*        C  16  -0.854  24.020  -1.177
  166    H2*    C  16           H2*        C  16  -1.755  23.895   1.100
  167   2HO*    C  16          2HO*        C  16  -3.660  23.398  -0.904
  168    H1*    C  16           H1*        C  16  -3.108  21.298   0.305
  169   1H4     C  16          1H4         C  16  -4.161  21.751   6.669
  170   2H4     C  16          2H4         C  16  -2.443  21.550   6.977
  171    H5     C  16           H5         C  16  -0.833  21.278   5.127
  172    H6     C  16           H6         C  16  -0.504  21.342   2.776
  173   1H5*    G  17          1H5*        G  17   1.049  22.769  -3.951
  174   2H5*    G  17          2H5*        G  17   0.566  21.514  -5.059
  175    H4*    G  17           H4*        G  17   2.845  21.338  -4.426
  176    H3*    G  17           H3*        G  17   1.232  19.089  -3.188
  177    H2*    G  17           H2*        G  17   3.390  18.225  -2.630
  178   2HO*    G  17          2HO*        G  17   3.981  18.942  -4.969
  179    H1*    G  17           H1*        G  17   4.581  20.817  -2.406
  180    H8     G  17           H8         G  17   5.725  19.876  -0.315
  181    H1     G  17           H1         G  17   0.159  18.040   2.267
  182   1H2     G  17          1H2         G  17  -1.456  18.048   0.701
  183   2H2     G  17          2H2         G  17  -1.129  18.679  -0.901
  184   1H5*    G  18          1H5*        G  18   3.332  16.872  -4.405
  185   2H5*    G  18          2H5*        G  18   2.701  15.374  -4.999
  186    H4*    G  18           H4*        G  18   3.845  15.626  -2.587
  187    H3*    G  18           H3*        G  18   1.391  13.906  -2.999
  188    H2*    G  18           H2*        G  18   1.648  13.353  -0.649
  189   2HO*    G  18          2HO*        G  18   4.029  13.357  -0.891
  190    H1*    G  18           H1*        G  18   2.142  15.924   0.162
  191    H8     G  18           H8         G  18  -0.564  15.839  -2.551
  192    H1     G  18           H1         G  18  -2.632  14.520   3.407
  193   1H2     G  18          1H2         G  18  -0.872  14.118   4.740
  194   2H2     G  18          2H2         G  18   0.775  14.308   4.158
  195   1H5*    U  19          1H5*        U  19   4.526  11.705  -0.621
  196   2H5*    U  19          2H5*        U  19   4.305   9.966  -0.809
  197    H4*    U  19           H4*        U  19   4.102  10.993   1.548
  198    H3*    U  19           H3*        U  19   1.948   9.121   0.504
  199    H2*    U  19           H2*        U  19   1.006   9.278   2.721
  200   2HO*    U  19          2HO*        U  19   3.155   9.282   3.701
  201    H1*    U  19           H1*        U  19   1.240  11.976   2.926
  202    H3     U  19           H3         U  19  -3.247  11.583   2.189
  203    H5     U  19           H5         U  19  -1.479  11.410  -1.623
  204    H6     U  19           H6         U  19   0.651  11.146  -0.581
  205   1H5*    A  20          1H5*        A  20   3.642   7.313   4.143
  206   2H5*    A  20          2H5*        A  20   3.492   5.545   4.098
  207    H4*    A  20           H4*        A  20   2.207   6.627   5.943
  208    H3*    A  20           H3*        A  20   0.477   5.154   3.890
  209    H2*    A  20           H2*        A  20  -1.306   5.635   5.322
  210   2HO*    A  20          2HO*        A  20  -1.087   6.530   7.321
  211    H1*    A  20           H1*        A  20  -0.817   8.139   5.623
  212    H8     A  20           H8         A  20   0.375   7.279   2.050
  213   1H6     A  20          1H6         A  20  -5.248   8.951   0.228
  214   2H6     A  20          2H6         A  20  -3.633   8.460  -0.220
  215    H2     A  20           H2         A  20  -5.311   8.604   4.745
  216   1H5*    C  21          1H5*        C  21  -0.928   4.290   7.515
  217   2H5*    C  21          2H5*        C  21  -1.364   2.673   7.772
  218    H4*    C  21           H4*        C  21  -3.267   4.142   8.157
  219    H3*    C  21           H3*        C  21  -3.633   2.367   5.706
  220    H2*    C  21           H2*        C  21  -5.828   3.308   5.552
  221   2HO*    C  21          2HO*        C  21  -5.939   3.361   7.968
  222    H1*    C  21           H1*        C  21  -5.007   5.884   5.865
  223   1H4     C  21          1H4         C  21  -4.962   5.524  -0.374
  224   2H4     C  21          2H4         C  21  -3.284   5.016  -0.399
  225    H5     C  21           H5         C  21  -2.071   4.380   1.718
  226    H6     C  21           H6         C  21  -2.254   4.271   4.086
  227   1H5*    C  22          1H5*        C  22  -7.155   1.771   8.127
  228   2H5*    C  22          2H5*        C  22  -7.745   0.103   7.972
  229    H4*    C  22           H4*        C  22  -9.346   1.885   7.140
  230    H3*    C  22           H3*        C  22  -8.352  -0.202   5.171
  231    H2*    C  22           H2*        C  22  -9.812   0.783   3.568
  232   2HO*    C  22          2HO*        C  22 -11.378   1.139   5.440
  233    H1*    C  22           H1*        C  22  -9.251   3.395   4.246
  234   1H4     C  22          1H4         C  22  -5.848   2.468  -0.948
  235   2H4     C  22          2H4         C  22  -4.482   1.831  -0.055
  236    H5     C  22           H5         C  22  -4.609   1.485   2.463
  237    H6     C  22           H6         C  22  -6.058   1.604   4.359
  238   1H5*    U  23          1H5*        U  23 -12.534  -0.167   4.402
  239   2H5*    U  23          2H5*        U  23 -13.081  -1.816   4.066
  240    H4*    U  23           H4*        U  23 -13.385  -0.223   2.160
  241    H3*    U  23           H3*        U  23 -11.532  -2.579   1.711
  242    H2*    U  23           H2*        U  23 -11.452  -1.870  -0.610
  243   2HO*    U  23          2HO*        U  23 -13.761  -1.292  -0.536
  244    H1*    U  23           H1*        U  23 -11.199   0.788  -0.026
  245    H3     U  23           H3         U  23  -7.127  -0.210  -1.695
  246    H5     U  23           H5         U  23  -7.032  -1.731   2.234
  247    H6     U  23           H6         U  23  -9.381  -1.257   2.420
  248   1H5*    U  24          1H5*        U  24 -14.716  -2.480  -1.464
  249   2H5*    U  24          2H5*        U  24 -15.026  -4.137  -2.005
  250    H4*    U  24           H4*        U  24 -14.293  -2.564  -3.841
  251    H3*    U  24           H3*        U  24 -12.506  -4.931  -3.219
  252    H2*    U  24           H2*        U  24 -11.317  -4.338  -5.228
  253   2HO*    U  24          2HO*        U  24 -12.041  -2.794  -6.640
  254    H1*    U  24           H1*        U  24 -11.310  -1.634  -4.627
  255    H3     U  24           H3         U  24  -6.969  -2.830  -4.207
  256    H5     U  24           H5         U  24  -8.771  -4.339  -0.732
  257    H6     U  24           H6         U  24 -10.945  -3.816  -1.670
  258   1H5*    U  25          1H5*        U  25 -13.421  -5.136  -7.363
  259   2H5*    U  25          2H5*        U  25 -13.593  -6.818  -7.892
  260    H4*    U  25           H4*        U  25 -11.848  -5.612  -9.160
  261    H3*    U  25           H3*        U  25 -10.790  -7.847  -7.377
  262    H2*    U  25           H2*        U  25  -8.710  -7.504  -8.472
  263   2HO*    U  25          2HO*        U  25  -9.885  -7.123 -10.537
  264    H1*    U  25           H1*        U  25  -8.830  -4.760  -8.327
  265    H3     U  25           H3         U  25  -5.569  -5.986  -5.370
  266    H5     U  25           H5         U  25  -9.142  -6.688  -3.309
  267    H6     U  25           H6         U  25 -10.366  -6.279  -5.356
  268   1H5*    G  26          1H5*        G  26  -9.609  -9.015 -11.316
  269   2H5*    G  26          2H5*        G  26  -9.570 -10.785 -11.438
  270    H4*    G  26           H4*        G  26  -7.352  -9.645 -11.773
  271    H3*    G  26           H3*        G  26  -7.589 -11.555  -9.427
  272    H2*    G  26           H2*        G  26  -5.194 -11.244  -9.158
  273   2HO*    G  26          2HO*        G  26  -4.974 -11.139 -11.559
  274    H1*    G  26           H1*        G  26  -5.329  -8.519  -9.414
  275    H8     G  26           H8         G  26  -8.413  -9.416  -7.428
  276    H1     G  26           H1         G  26  -2.936  -9.825  -4.075
  277   1H2     G  26          1H2         G  26  -1.165  -9.878  -5.535
  278   2H2     G  26          2H2         G  26  -1.433  -9.666  -7.257
  279   1H5*    U  27          1H5*        U  27  -4.124 -12.759 -11.917
  280   2H5*    U  27          2H5*        U  27  -3.939 -14.518 -11.870
  281    H4*    U  27           H4*        U  27  -1.915 -13.210 -11.154
  282    H3*    U  27           H3*        U  27  -3.112 -15.080  -9.073
  283    H2*    U  27           H2*        U  27  -1.146 -14.625  -7.826
  284   2HO*    U  27          2HO*        U  27   0.238 -14.553  -9.737
  285    H1*    U  27           H1*        U  27  -1.286 -11.934  -8.177
  286    H3     U  27           H3         U  27  -2.471 -12.995  -3.847
  287    H5     U  27           H5         U  27  -6.008 -13.319  -6.117
  288    H6     U  27           H6         U  27  -4.693 -13.116  -8.110
  289   1H5*    G  28          1H5*        G  28   1.049 -16.298  -9.839
  290   2H5*    G  28          2H5*        G  28   1.331 -17.984  -9.376
  291    H4*    G  28           H4*        G  28   2.632 -16.157  -8.135
  292    H3*    G  28           H3*        G  28   1.117 -18.190  -6.520
  293    H2*    G  28           H2*        G  28   2.105 -17.086  -4.580
  294   2HO*    G  28          2HO*        G  28   4.083 -16.702  -5.998
  295    H1*    G  28           H1*        G  28   1.444 -14.572  -5.395
  296    H8     G  28           H8         G  28  -1.474 -16.429  -6.729
  297    H1     G  28           H1         G  28  -1.725 -15.871  -0.343
  298   1H2     G  28          1H2         G  28   0.309 -15.368   0.488
  299   2H2     G  28          2H2         G  28   1.685 -15.134  -0.564
  300   1H5*    U  29          1H5*        U  29   5.009 -18.228  -5.032
  301   2H5*    U  29          2H5*        U  29   5.606 -19.860  -4.676
  302    H4*    U  29           H4*        U  29   5.537 -18.435  -2.669
  303    H3*    U  29           H3*        U  29   3.574 -20.761  -2.644
  304    H2*    U  29           H2*        U  29   3.109 -20.185  -0.386
  305   2HO*    U  29          2HO*        U  29   5.475 -19.543  -0.176
  306    H1*    U  29           H1*        U  29   2.852 -17.512  -0.883
  307    H3     U  29           H3         U  29  -1.468 -19.059  -0.339
  308    H5     U  29           H5         U  29  -0.559 -19.421  -4.429
  309    H6     U  29           H6         U  29   1.697 -18.992  -3.945
  310   1H5*    C  30          1H5*        C  30   5.975 -21.167   0.736
  311   2H5*    C  30          2H5*        C  30   6.369 -22.861   1.065
  312    H4*    C  30           H4*        C  30   5.175 -21.728   2.930
  313    H3*    C  30           H3*        C  30   3.713 -24.019   1.556
  314    H2*    C  30           H2*        C  30   2.031 -23.833   3.221
  315   2HO*    C  30          2HO*        C  30   2.381 -22.618   5.122
  316    H1*    C  30           H1*        C  30   2.180 -21.022   3.399
  317   1H4     C  30          1H4         C  30  -3.148 -21.901   0.205
  318   2H4     C  30          2H4         C  30  -2.304 -21.979  -1.328
  319    H5     C  30           H5         C  30   0.230 -22.240  -1.414
  320    H6     C  30           H6         C  30   2.218 -22.188  -0.069
  321    H3T    C  30           HE         C  30   4.769 -23.994   4.140
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1 -10.848 -21.954   7.915
    2   2H5*    G   1          2H5*        G   1 -10.436 -22.659   6.339
    3    H4*    G   1           H4*        G   1  -8.678 -22.756   8.647
    4    H3*    G   1           H3*        G   1  -8.595 -20.996   6.196
    5    H2*    G   1           H2*        G   1  -6.198 -20.928   6.550
    6   2HO*    G   1          2HO*        G   1  -6.556 -20.853   8.924
    7    H1*    G   1           H1*        G   1  -6.020 -23.616   7.123
    8    H8     G   1           H8         G   1  -8.409 -23.193   4.187
    9    H1     G   1           H1         G   1  -2.213 -22.510   2.605
   10   1H2     G   1          1H2         G   1  -0.968 -22.352   4.519
   11   2H2     G   1          2H2         G   1  -1.725 -22.487   6.101
   12   1H5*    G   2          1H5*        G   2  -6.091 -19.177   9.297
   13   2H5*    G   2          2H5*        G   2  -6.092 -17.418   9.123
   14    H4*    G   2           H4*        G   2  -3.791 -18.514   8.974
   15    H3*    G   2           H3*        G   2  -4.730 -16.938   6.565
   16    H2*    G   2           H2*        G   2  -2.456 -17.191   5.855
   17   2HO*    G   2          2HO*        G   2  -1.631 -16.902   8.062
   18    H1*    G   2           H1*        G   2  -2.300 -19.853   6.607
   19    H8     G   2           H8         G   2  -5.633 -19.415   4.910
   20    H1     G   2           H1         G   2  -0.641 -19.048   0.844
   21   1H2     G   2          1H2         G   2   1.258 -18.956   1.998
   22   2H2     G   2          2H2         G   2   1.280 -19.048   3.755
   23   1H5*    C   3          1H5*        C   3  -1.144 -15.285   8.355
   24   2H5*    C   3          2H5*        C   3  -0.877 -13.581   8.016
   25    H4*    C   3           H4*        C   3   0.837 -15.353   7.181
   26    H3*    C   3           H3*        C   3  -0.288 -13.270   5.253
   27    H2*    C   3           H2*        C   3   1.144 -14.187   3.549
   28   2HO*    C   3          2HO*        C   3   2.815 -14.516   5.278
   29    H1*    C   3           H1*        C   3   0.615 -16.792   4.151
   30   1H4     C   3          1H4         C   3  -3.502 -15.890  -0.511
   31   2H4     C   3          2H4         C   3  -4.733 -15.412   0.637
   32    H5     C   3           H5         C   3  -4.218 -14.965   3.045
   33    H6     C   3           H6         C   3  -2.482 -15.032   4.691
   34   1H5*    A   4          1H5*        A   4   1.501  -9.160   5.341
   35   2H5*    A   4          2H5*        A   4  -0.004  -9.497   4.482
   36    H4*    A   4           H4*        A   4   2.656 -10.960   4.164
   37    H3*    A   4           H3*        A   4   0.937  -9.177   2.402
   38    H2*    A   4           H2*        A   4   1.746 -10.364   0.494
   39   2HO*    A   4          2HO*        A   4   3.916 -10.394   1.659
   40    H1*    A   4           H1*        A   4   1.656 -12.865   1.682
   41    H8     A   4           H8         A   4  -1.510 -11.497   2.945
   42   1H6     A   4          1H6         A   4  -4.116 -13.047  -2.419
   43   2H6     A   4          2H6         A   4  -4.341 -12.561  -0.747
   44    H2     A   4           H2         A   4   0.355 -13.057  -3.015
   45   1H5*    C   5          1H5*        C   5   4.694  -8.254   0.503
   46   2H5*    C   5          2H5*        C   5   4.651  -6.550   0.007
   47    H4*    C   5           H4*        C   5   4.691  -8.147  -1.917
   48    H3*    C   5           H3*        C   5   2.156  -6.496  -1.636
   49    H2*    C   5           H2*        C   5   1.487  -7.481  -3.732
   50   2HO*    C   5          2HO*        C   5   3.855  -7.355  -4.389
   51    H1*    C   5           H1*        C   5   2.303 -10.025  -3.078
   52   1H4     C   5          1H4         C   5  -3.966  -9.624  -1.977
   53   2H4     C   5          2H4         C   5  -3.706  -8.915  -0.398
   54    H5     C   5           H5         C   5  -1.418  -8.310   0.428
   55    H6     C   5           H6         C   5   0.910  -8.271  -0.160
   56   1H5*    U   6          1H5*        U   6   3.004  -5.956  -5.689
   57   2H5*    U   6          2H5*        U   6   2.667  -4.314  -6.244
   58    H4*    U   6           H4*        U   6   1.333  -6.140  -7.368
   59    H3*    U   6           H3*        U   6  -0.178  -3.953  -5.926
   60    H2*    U   6           H2*        U   6  -2.222  -4.982  -6.595
   61   2HO*    U   6          2HO*        U   6  -1.138  -5.503  -8.705
   62    H1*    U   6           H1*        U   6  -1.457  -7.541  -6.083
   63    H3     U   6           H3         U   6  -4.608  -6.408  -2.962
   64    H5     U   6           H5         U   6  -0.873  -5.493  -1.256
   65    H6     U   6           H6         U   6   0.129  -5.767  -3.399
   66   1H5*    C   7          1H5*        C   7  -0.992  -3.012 -10.196
   67   2H5*    C   7          2H5*        C   7  -1.120  -1.275 -10.538
   68    H4*    C   7           H4*        C   7  -3.376  -2.475 -10.229
   69    H3*    C   7           H3*        C   7  -2.629  -0.285  -8.263
   70    H2*    C   7           H2*        C   7  -4.788  -0.556  -7.344
   71   2HO*    C   7          2HO*        C   7  -5.960  -0.531  -9.282
   72    H1*    C   7           H1*        C   7  -4.898  -3.343  -7.941
   73   1H4     C   7          1H4         C   7  -4.633  -3.116  -1.665
   74   2H4     C   7          2H4         C   7  -2.876  -3.040  -1.630
   75    H5     C   7           H5         C   7  -1.562  -2.764  -3.831
   76    H6     C   7           H6         C   7  -1.833  -2.500  -6.197
   77   1H5*    U   8          1H5*        U   8  -6.489   0.346 -10.989
   78   2H5*    U   8          2H5*        U   8  -6.649   2.101 -11.183
   79    H4*    U   8           H4*        U   8  -8.806   0.972 -10.618
   80    H3*    U   8           H3*        U   8  -7.705   2.964  -8.615
   81    H2*    U   8           H2*        U   8  -9.807   2.718  -7.455
   82   2HO*    U   8          2HO*        U   8 -10.909   2.603  -9.597
   83    H1*    U   8           H1*        U   8  -9.908  -0.027  -7.737
   84    H3     U   8           H3         U   8  -9.240   0.662  -3.265
   85    H5     U   8           H5         U   8  -5.419   0.929  -5.015
   86    H6     U   8           H6         U   8  -6.458   0.984  -7.184
   87   1H5*    G   9          1H5*        G   9 -11.777   4.436  -9.570
   88   2H5*    G   9          2H5*        G   9 -11.764   6.203  -9.411
   89    H4*    G   9           H4*        G   9 -13.340   5.047  -7.836
   90    H3*    G   9           H3*        G   9 -11.054   6.601  -6.591
   91    H2*    G   9           H2*        G   9 -12.103   6.124  -4.455
   92   2HO*    G   9          2HO*        G   9 -14.260   6.357  -5.519
   93    H1*    G   9           H1*        G   9 -12.531   3.481  -5.009
   94    H8     G   9           H8         G   9  -9.155   4.617  -6.484
   95    H1     G   9           H1         G   9  -9.049   3.299  -0.195
   96   1H2     G   9          1H2         G   9 -11.185   3.189   0.583
   97   2H2     G   9          2H2         G   9 -12.536   3.198  -0.543
   98   1H5*    G  10          1H5*        G  10 -14.828   7.962  -4.690
   99   2H5*    G  10          2H5*        G  10 -14.665   9.662  -4.225
  100    H4*    G  10           H4*        G  10 -15.192   8.051  -2.339
  101    H3*    G  10           H3*        G  10 -12.673   9.723  -2.166
  102    H2*    G  10           H2*        G  10 -12.425   8.831   0.073
  103   2HO*    G  10          2HO*        G  10 -14.830   8.956   0.314
  104    H1*    G  10           H1*        G  10 -13.034   6.251  -0.630
  105    H8     G  10           H8         G  10 -10.887   7.636  -3.437
  106    H1     G  10           H1         G  10  -7.578   6.162   1.876
  107   1H2     G  10          1H2         G  10  -9.018   6.020   3.638
  108   2H2     G  10          2H2         G  10 -10.759   6.074   3.382
  109   1H5*    U  11          1H5*        U  11 -14.880  10.404   1.628
  110   2H5*    U  11          2H5*        U  11 -14.603  12.078   2.142
  111    H4*    U  11           H4*        U  11 -13.798  10.341   3.807
  112    H3*    U  11           H3*        U  11 -11.687  12.185   2.677
  113    H2*    U  11           H2*        U  11 -10.255  11.146   4.312
  114   2HO*    U  11          2HO*        U  11 -11.965  11.065   5.911
  115    H1*    U  11           H1*        U  11 -11.050   8.599   3.739
  116    H3     U  11           H3         U  11  -6.779   9.356   2.298
  117    H5     U  11           H5         U  11  -9.257  10.723  -0.835
  118    H6     U  11           H6         U  11 -11.139  10.482   0.623
  119   1H5*    A  12          1H5*        A  12 -13.178  13.848   6.773
  120   2H5*    A  12          2H5*        A  12 -12.537  15.452   7.143
  121    H4*    A  12           H4*        A  12 -11.269  13.485   8.130
  122    H3*    A  12           H3*        A  12  -9.781  15.447   6.399
  123    H2*    A  12           H2*        A  12  -7.801  14.284   7.070
  124   2HO*    A  12          2HO*        A  12  -8.426  14.083   9.285
  125    H1*    A  12           H1*        A  12  -8.920  11.748   6.778
  126    H8     A  12           H8         A  12 -10.115  13.935   3.988
  127   1H6     A  12          1H6         A  12  -4.861  12.574   1.027
  128   2H6     A  12          2H6         A  12  -6.497  13.201   0.900
  129    H2     A  12           H2         A  12  -4.301  11.561   5.368
  130   1H5*    U  13          1H5*        U  13  -6.747  17.347  10.616
  131   2H5*    U  13          2H5*        U  13  -6.684  17.661   8.884
  132    H4*    U  13           H4*        U  13  -5.277  15.497  10.459
  133    H3*    U  13           H3*        U  13  -4.664  17.602   8.367
  134    H2*    U  13           H2*        U  13  -2.873  16.360   7.499
  135   2HO*    U  13          2HO*        U  13  -2.457  15.644   9.858
  136    H1*    U  13           H1*        U  13  -4.204  13.965   7.458
  137    H3     U  13           H3         U  13  -4.236  15.238   3.069
  138    H5     U  13           H5         U  13  -7.718  16.831   4.854
  139    H6     U  13           H6         U  13  -6.695  16.478   6.995
  140   1H5*    C  14          1H5*        C  14  -1.105  17.403   9.533
  141   2H5*    C  14          2H5*        C  14  -0.414  18.989   9.933
  142    H4*    C  14           H4*        C  14   0.864  18.085   8.149
  143    H3*    C  14           H3*        C  14  -1.095  20.054   6.947
  144    H2*    C  14           H2*        C  14   0.326  19.781   4.929
  145   2HO*    C  14          2HO*        C  14   2.145  19.217   6.625
  146    H1*    C  14           H1*        C  14   0.050  17.084   5.080
  147   1H4     C  14          1H4         C  14  -5.176  19.000   1.941
  148   2H4     C  14          2H4         C  14  -6.032  19.327   3.433
  149    H5     C  14           H5         C  14  -4.917  19.075   5.665
  150    H6     C  14           H6         C  14  -2.854  18.569   6.747
  151   1H5*    A  15          1H5*        A  15   0.057  23.014   5.081
  152   2H5*    A  15          2H5*        A  15   1.273  21.723   5.129
  153    H4*    A  15           H4*        A  15   1.483  24.575   4.207
  154    H3*    A  15           H3*        A  15   1.451  22.263   2.778
  155    H2*    A  15           H2*        A  15   3.039  21.059   4.023
  156   2HO*    A  15          2HO*        A  15   4.135  20.774   2.157
  157    H1*    A  15           H1*        A  15   4.890  23.372   4.008
  158    H8     A  15           H8         A  15   3.354  20.630   6.229
  159   1H6     A  15          1H6         A  15   8.307  21.373   9.860
  160   2H6     A  15          2H6         A  15   6.848  20.434   9.560
  161    H2     A  15           H2         A  15   8.496  24.456   6.638
  162   1H5*    C  16          1H5*        C  16   1.923  21.637  -0.050
  163   2H5*    C  16          2H5*        C  16   2.052  22.953  -1.194
  164    H4*    C  16           H4*        C  16   0.773  21.177  -2.122
  165    H3*    C  16           H3*        C  16  -0.227  23.695  -2.366
  166    H2*    C  16           H2*        C  16  -1.419  23.723  -0.317
  167   2HO*    C  16          2HO*        C  16  -3.688  23.137  -0.868
  168    H1*    C  16           H1*        C  16  -2.565  21.007  -0.848
  169   1H4     C  16          1H4         C  16  -3.965  22.370   5.313
  170   2H4     C  16          2H4         C  16  -2.309  22.056   5.788
  171    H5     C  16           H5         C  16  -0.618  21.355   4.078
  172    H6     C  16           H6         C  16  -0.106  21.214   1.782
  173   1H5*    G  17          1H5*        G  17   0.448  19.583  -5.354
  174   2H5*    G  17          2H5*        G  17   0.360  19.738  -3.601
  175    H4*    G  17           H4*        G  17   2.900  19.926  -5.301
  176    H3*    G  17           H3*        G  17   1.811  17.837  -3.380
  177    H2*    G  17           H2*        G  17   3.989  17.387  -2.663
  178   2HO*    G  17          2HO*        G  17   4.497  17.530  -5.153
  179    H1*    G  17           H1*        G  17   4.993  20.016  -3.186
  180    H8     G  17           H8         G  17   6.131  19.936  -0.835
  181    H1     G  17           H1         G  17   0.682  18.279   2.103
  182   1H2     G  17          1H2         G  17  -0.917  17.851   0.623
  183   2H2     G  17          2H2         G  17  -0.637  18.040  -1.097
  184   1H5*    G  18          1H5*        G  18   4.176  15.440  -4.071
  185   2H5*    G  18          2H5*        G  18   3.619  13.769  -4.231
  186    H4*    G  18           H4*        G  18   4.740  14.599  -1.993
  187    H3*    G  18           H3*        G  18   2.199  12.960  -2.060
  188    H2*    G  18           H2*        G  18   2.319  12.929   0.348
  189   2HO*    G  18          2HO*        G  18   4.767  12.821   0.114
  190    H1*    G  18           H1*        G  18   2.919  15.605   0.599
  191    H8     G  18           H8         G  18   0.403  15.083  -2.217
  192    H1     G  18           H1         G  18  -2.216  14.672   3.651
  193   1H2     G  18          1H2         G  18  -0.585  14.432   5.181
  194   2H2     G  18          2H2         G  18   1.111  14.531   4.736
  195   1H5*    U  19          1H5*        U  19   4.801  11.091   0.868
  196   2H5*    U  19          2H5*        U  19   4.594   9.338   0.849
  197    H4*    U  19           H4*        U  19   4.112  10.484   3.042
  198    H3*    U  19           H3*        U  19   1.872   8.834   1.813
  199    H2*    U  19           H2*        U  19   0.724   9.217   3.902
  200   2HO*    U  19          2HO*        U  19   2.731   9.028   5.129
  201    H1*    U  19           H1*        U  19   1.254  11.881   3.983
  202    H3     U  19           H3         U  19  -3.174  11.607   2.745
  203    H5     U  19           H5         U  19  -0.966  11.276  -0.825
  204    H6     U  19           H6         U  19   1.013  11.031   0.464
  205   1H5*    A  20          1H5*        A  20   2.965   7.020   5.628
  206   2H5*    A  20          2H5*        A  20   2.640   5.276   5.648
  207    H4*    A  20           H4*        A  20   1.344   6.568   7.320
  208    H3*    A  20           H3*        A  20  -0.374   5.159   5.211
  209    H2*    A  20           H2*        A  20  -2.212   5.882   6.492
  210   2HO*    A  20          2HO*        A  20  -0.754   5.734   8.521
  211    H1*    A  20           H1*        A  20  -1.503   8.325   6.724
  212    H8     A  20           H8         A  20  -0.051   7.295   3.297
  213   1H6     A  20          1H6         A  20  -5.375   9.121   0.859
  214   2H6     A  20          2H6         A  20  -3.743   8.556   0.609
  215    H2     A  20           H2         A  20  -5.900   9.005   5.364
  216   1H5*    C  21          1H5*        C  21  -2.232   4.592   8.656
  217   2H5*    C  21          2H5*        C  21  -2.735   2.998   8.943
  218    H4*    C  21           H4*        C  21  -4.621   4.534   9.029
  219    H3*    C  21           H3*        C  21  -4.783   2.685   6.607
  220    H2*    C  21           H2*        C  21  -6.922   3.695   6.210
  221   2HO*    C  21          2HO*        C  21  -7.249   3.820   8.614
  222    H1*    C  21           H1*        C  21  -5.996   6.256   6.552
  223   1H4     C  21          1H4         C  21  -5.380   5.706   0.360
  224   2H4     C  21          2H4         C  21  -3.717   5.168   0.513
  225    H5     C  21           H5         C  21  -2.737   4.560   2.761
  226    H6     C  21           H6         C  21  -3.172   4.510   5.110
  227   1H5*    C  22          1H5*        C  22  -8.508   2.196   8.655
  228   2H5*    C  22          2H5*        C  22  -9.075   0.516   8.535
  229    H4*    C  22           H4*        C  22 -10.609   2.200   7.457
  230    H3*    C  22           H3*        C  22  -9.331   0.115   5.648
  231    H2*    C  22           H2*        C  22 -10.670   1.000   3.894
  232   2HO*    C  22          2HO*        C  22 -12.438   1.294   5.579
  233    H1*    C  22           H1*        C  22 -10.302   3.651   4.603
  234   1H4     C  22          1H4         C  22  -6.475   2.753  -0.313
  235   2H4     C  22          2H4         C  22  -5.174   2.141   0.683
  236    H5     C  22           H5         C  22  -5.469   1.852   3.197
  237    H6     C  22           H6         C  22  -7.055   1.977   4.989
  238   1H5*    U  23          1H5*        U  23 -13.410  -0.146   4.540
  239   2H5*    U  23          2H5*        U  23 -13.819  -1.836   4.210
  240    H4*    U  23           H4*        U  23 -14.089  -0.333   2.243
  241    H3*    U  23           H3*        U  23 -11.991  -2.508   1.988
  242    H2*    U  23           H2*        U  23 -11.837  -1.845  -0.345
  243   2HO*    U  23          2HO*        U  23 -14.198  -1.475  -0.410
  244    H1*    U  23           H1*        U  23 -11.857   0.839   0.200
  245    H3     U  23           H3         U  23  -7.624   0.051  -1.204
  246    H5     U  23           H5         U  23  -7.679  -1.393   2.754
  247    H6     U  23           H6         U  23 -10.053  -1.020   2.805
  248   1H5*    U  24          1H5*        U  24 -14.952  -2.771  -1.360
  249   2H5*    U  24          2H5*        U  24 -15.073  -4.443  -1.923
  250    H4*    U  24           H4*        U  24 -14.400  -2.721  -3.674
  251    H3*    U  24           H3*        U  24 -12.534  -5.048  -3.125
  252    H2*    U  24           H2*        U  24 -11.302  -4.264  -5.067
  253   2HO*    U  24          2HO*        U  24 -13.445  -3.688  -6.072
  254    H1*    U  24           H1*        U  24 -11.451  -1.604  -4.339
  255    H3     U  24           H3         U  24  -7.060  -2.701  -3.861
  256    H5     U  24           H5         U  24  -8.892  -4.364  -0.478
  257    H6     U  24           H6         U  24 -11.062  -3.850  -1.436
  258   1H5*    U  25          1H5*        U  25 -13.279  -5.024  -7.408
  259   2H5*    U  25          2H5*        U  25 -13.340  -6.687  -8.007
  260    H4*    U  25           H4*        U  25 -11.597  -5.284  -9.112
  261    H3*    U  25           H3*        U  25 -10.572  -7.668  -7.517
  262    H2*    U  25           H2*        U  25  -8.443  -7.184  -8.457
  263   2HO*    U  25          2HO*        U  25  -9.557  -6.609 -10.532
  264    H1*    U  25           H1*        U  25  -8.632  -4.463  -8.065
  265    H3     U  25           H3         U  25  -5.510  -5.866  -5.042
  266    H5     U  25           H5         U  25  -9.185  -6.730  -3.228
  267    H6     U  25           H6         U  25 -10.291  -6.211  -5.305
  268   1H5*    G  26          1H5*        G  26  -9.239  -8.491 -11.480
  269   2H5*    G  26          2H5*        G  26  -9.261 -10.240 -11.783
  270    H4*    G  26           H4*        G  26  -6.968  -9.205 -11.876
  271    H3*    G  26           H3*        G  26  -7.463 -11.240  -9.684
  272    H2*    G  26           H2*        G  26  -5.105 -11.115  -9.247
  273   2HO*    G  26          2HO*        G  26  -3.701 -10.481 -10.673
  274    H1*    G  26           H1*        G  26  -5.057  -8.344  -9.416
  275    H8     G  26           H8         G  26  -8.185  -9.160  -7.497
  276    H1     G  26           H1         G  26  -2.759 -10.082  -4.158
  277   1H2     G  26          1H2         G  26  -0.978 -10.114  -5.615
  278   2H2     G  26          2H2         G  26  -1.231  -9.799  -7.322
  279   1H5*    U  27          1H5*        U  27  -4.026 -12.459 -12.162
  280   2H5*    U  27          2H5*        U  27  -3.925 -14.224 -12.276
  281    H4*    U  27           H4*        U  27  -1.827 -13.138 -11.473
  282    H3*    U  27           H3*        U  27  -3.153 -14.992  -9.459
  283    H2*    U  27           H2*        U  27  -1.130 -14.754  -8.221
  284   2HO*    U  27          2HO*        U  27   0.273 -14.686 -10.074
  285    H1*    U  27           H1*        U  27  -1.119 -12.045  -8.422
  286    H3     U  27           H3         U  27  -2.425 -13.222  -4.158
  287    H5     U  27           H5         U  27  -5.936 -13.341  -6.491
  288    H6     U  27           H6         U  27  -4.592 -13.072  -8.450
  289   1H5*    G  28          1H5*        G  28   0.903 -16.603 -10.430
  290   2H5*    G  28          2H5*        G  28   1.053 -18.299  -9.940
  291    H4*    G  28           H4*        G  28   2.553 -16.514  -8.820
  292    H3*    G  28           H3*        G  28   1.077 -18.479  -7.092
  293    H2*    G  28           H2*        G  28   2.238 -17.405  -5.233
  294   2HO*    G  28          2HO*        G  28   4.126 -17.080  -6.789
  295    H1*    G  28           H1*        G  28   1.616 -14.865  -6.027
  296    H8     G  28           H8         G  28  -1.491 -16.565  -7.096
  297    H1     G  28           H1         G  28  -1.043 -16.180  -0.702
  298   1H2     G  28          1H2         G  28   1.113 -15.830  -0.096
  299   2H2     G  28          2H2         G  28   2.352 -15.541  -1.302
  300   1H5*    U  29          1H5*        U  29   4.946 -18.521  -5.649
  301   2H5*    U  29          2H5*        U  29   5.561 -20.155  -5.349
  302    H4*    U  29           H4*        U  29   5.548 -18.776  -3.309
  303    H3*    U  29           H3*        U  29   3.619 -21.128  -3.282
  304    H2*    U  29           H2*        U  29   3.203 -20.619  -1.004
  305   2HO*    U  29          2HO*        U  29   5.545 -19.969  -0.789
  306    H1*    U  29           H1*        U  29   2.888 -17.943  -1.411
  307    H3     U  29           H3         U  29  -1.406 -19.605  -0.869
  308    H5     U  29           H5         U  29  -0.557 -19.711  -4.987
  309    H6     U  29           H6         U  29   1.696 -19.272  -4.513
  310   1H5*    C  30          1H5*        C  30   6.250 -21.569  -0.046
  311   2H5*    C  30          2H5*        C  30   6.662 -23.264   0.273
  312    H4*    C  30           H4*        C  30   5.564 -22.084   2.187
  313    H3*    C  30           H3*        C  30   4.086 -24.438   0.942
  314    H2*    C  30           H2*        C  30   2.470 -24.239   2.670
  315   2HO*    C  30          2HO*        C  30   2.872 -22.974   4.528
  316    H1*    C  30           H1*        C  30   2.585 -21.422   2.784
  317   1H4     C  30          1H4         C  30  -2.891 -22.450  -0.107
  318   2H4     C  30          2H4         C  30  -2.130 -22.547  -1.683
  319    H5     C  30           H5         C  30   0.403 -22.752  -1.900
  320    H6     C  30           H6         C  30   2.460 -22.652  -0.661
  321    H3T    C  30           HE         C  30   5.250 -24.323   3.478
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -11.021 -22.849   6.576
    2   2H5*    G   1          2H5*        G   1 -10.161 -23.690   5.276
    3    H4*    G   1           H4*        G   1  -9.081 -23.463   7.961
    4    H3*    G   1           H3*        G   1  -8.611 -21.739   5.544
    5    H2*    G   1           H2*        G   1  -6.355 -21.420   6.371
    6   2HO*    G   1          2HO*        G   1  -7.239 -21.465   8.640
    7    H1*    G   1           H1*        G   1  -5.940 -24.051   6.886
    8    H8     G   1           H8         G   1  -8.128 -24.025   3.796
    9    H1     G   1           H1         G   1  -2.084 -22.190   2.604
   10   1H2     G   1          1H2         G   1  -0.999 -21.847   4.584
   11   2H2     G   1          2H2         G   1  -1.803 -22.143   6.121
   12   1H5*    G   2          1H5*        G   2  -6.833 -19.678   8.826
   13   2H5*    G   2          2H5*        G   2  -7.080 -17.935   8.672
   14    H4*    G   2           H4*        G   2  -4.647 -18.645   8.769
   15    H3*    G   2           H3*        G   2  -5.569 -17.214   6.261
   16    H2*    G   2           H2*        G   2  -3.244 -17.080   5.782
   17   2HO*    G   2          2HO*        G   2  -2.751 -16.709   8.106
   18    H1*    G   2           H1*        G   2  -2.711 -19.687   6.524
   19    H8     G   2           H8         G   2  -5.933 -19.826   4.597
   20    H1     G   2           H1         G   2  -0.831 -18.421   0.888
   21   1H2     G   2          1H2         G   2   0.961 -18.113   2.175
   22   2H2     G   2          2H2         G   2   0.873 -18.231   3.928
   23   1H5*    C   3          1H5*        C   3  -2.558 -14.981   8.325
   24   2H5*    C   3          2H5*        C   3  -2.547 -13.250   7.976
   25    H4*    C   3           H4*        C   3  -0.530 -14.714   7.289
   26    H3*    C   3           H3*        C   3  -1.868 -12.838   5.284
   27    H2*    C   3           H2*        C   3  -0.092 -13.366   3.773
   28   2HO*    C   3          2HO*        C   3   1.462 -13.364   5.605
   29    H1*    C   3           H1*        C   3  -0.164 -16.049   4.288
   30   1H4     C   3          1H4         C   3  -3.948 -15.684  -0.763
   31   2H4     C   3          2H4         C   3  -5.342 -15.463   0.269
   32    H5     C   3           H5         C   3  -5.137 -15.122   2.728
   33    H6     C   3           H6         C   3  -3.596 -14.980   4.540
   34   1H5*    A   4          1H5*        A   4   2.165 -11.414   5.595
   35   2H5*    A   4          2H5*        A   4   2.249  -9.661   5.337
   36    H4*    A   4           H4*        A   4   3.478 -11.068   3.639
   37    H3*    A   4           H3*        A   4   1.234  -9.280   2.645
   38    H2*    A   4           H2*        A   4   1.882  -9.922   0.431
   39   2HO*    A   4          2HO*        A   4   4.185  -9.847   1.083
   40    H1*    A   4           H1*        A   4   2.165 -12.588   1.028
   41    H8     A   4           H8         A   4  -0.877 -11.387   2.942
   42   1H6     A   4          1H6         A   4  -4.016 -12.760  -2.231
   43   2H6     A   4          2H6         A   4  -4.118 -12.402  -0.514
   44    H2     A   4           H2         A   4   0.339 -12.575  -3.262
   45   1H5*    C   5          1H5*        C   5   4.810  -7.921   0.422
   46   2H5*    C   5          2H5*        C   5   4.629  -6.203   0.009
   47    H4*    C   5           H4*        C   5   4.711  -7.783  -1.972
   48    H3*    C   5           H3*        C   5   2.183  -6.141  -1.608
   49    H2*    C   5           H2*        C   5   1.485  -7.075  -3.716
   50   2HO*    C   5          2HO*        C   5   3.824  -6.953  -4.429
   51    H1*    C   5           H1*        C   5   2.273  -9.638  -3.116
   52   1H4     C   5          1H4         C   5  -3.953  -9.367  -1.901
   53   2H4     C   5          2H4         C   5  -3.677  -8.708  -0.301
   54    H5     C   5           H5         C   5  -1.383  -8.070   0.493
   55    H6     C   5           H6         C   5   0.927  -7.957  -0.143
   56   1H5*    U   6          1H5*        U   6   3.016  -5.569  -5.678
   57   2H5*    U   6          2H5*        U   6   2.639  -3.941  -6.240
   58    H4*    U   6           H4*        U   6   1.348  -5.800  -7.358
   59    H3*    U   6           H3*        U   6  -0.211  -3.657  -5.907
   60    H2*    U   6           H2*        U   6  -2.236  -4.751  -6.577
   61   2HO*    U   6          2HO*        U   6  -1.171  -5.234  -8.690
   62    H1*    U   6           H1*        U   6  -1.401  -7.280  -6.051
   63    H3     U   6           H3         U   6  -4.578  -6.199  -2.935
   64    H5     U   6           H5         U   6  -0.872  -5.150  -1.247
   65    H6     U   6           H6         U   6   0.132  -5.410  -3.393
   66   1H5*    C   7          1H5*        C   7  -0.864  -2.738 -10.275
   67   2H5*    C   7          2H5*        C   7  -1.125  -1.017 -10.614
   68    H4*    C   7           H4*        C   7  -3.278  -2.350 -10.284
   69    H3*    C   7           H3*        C   7  -2.656  -0.135  -8.302
   70    H2*    C   7           H2*        C   7  -4.821  -0.514  -7.425
   71   2HO*    C   7          2HO*        C   7  -5.980  -0.556  -9.355
   72    H1*    C   7           H1*        C   7  -4.774  -3.302  -8.018
   73   1H4     C   7          1H4         C   7  -4.663  -2.957  -1.728
   74   2H4     C   7          2H4         C   7  -2.925  -2.711  -1.655
   75    H5     C   7           H5         C   7  -1.578  -2.401  -3.838
   76    H6     C   7           H6         C   7  -1.818  -2.203  -6.212
   77   1H5*    U   8          1H5*        U   8  -6.479   0.318 -11.015
   78   2H5*    U   8          2H5*        U   8  -6.742   2.060 -11.220
   79    H4*    U   8           H4*        U   8  -8.827   0.824 -10.612
   80    H3*    U   8           H3*        U   8  -7.781   2.880  -8.640
   81    H2*    U   8           H2*        U   8  -9.840   2.548  -7.439
   82   2HO*    U   8          2HO*        U   8 -10.959   2.369  -9.584
   83    H1*    U   8           H1*        U   8  -9.842  -0.201  -7.724
   84    H3     U   8           H3         U   8  -9.146   0.416  -3.255
   85    H5     U   8           H5         U   8  -5.370   0.939  -5.045
   86    H6     U   8           H6         U   8  -6.440   1.008  -7.197
   87   1H5*    G   9          1H5*        G   9 -11.866   4.189  -9.483
   88   2H5*    G   9          2H5*        G   9 -11.913   5.958  -9.367
   89    H4*    G   9           H4*        G   9 -13.378   4.817  -7.697
   90    H3*    G   9           H3*        G   9 -11.046   6.397  -6.571
   91    H2*    G   9           H2*        G   9 -12.015   5.952  -4.393
   92   2HO*    G   9          2HO*        G   9 -14.213   6.162  -5.354
   93    H1*    G   9           H1*        G   9 -12.450   3.298  -4.897
   94    H8     G   9           H8         G   9  -9.134   4.435  -6.498
   95    H1     G   9           H1         G   9  -8.807   3.188  -0.199
   96   1H2     G   9          1H2         G   9 -10.914   3.100   0.657
   97   2H2     G   9          2H2         G   9 -12.304   3.104  -0.422
   98   1H5*    G  10          1H5*        G  10 -14.770   7.763  -4.627
   99   2H5*    G  10          2H5*        G  10 -14.624   9.464  -4.165
  100    H4*    G  10           H4*        G  10 -15.099   7.840  -2.270
  101    H3*    G  10           H3*        G  10 -12.614   9.567  -2.145
  102    H2*    G  10           H2*        G  10 -12.314   8.695   0.095
  103   2HO*    G  10          2HO*        G  10 -14.726   8.756   0.355
  104    H1*    G  10           H1*        G  10 -12.872   6.100  -0.584
  105    H8     G  10           H8         G  10 -10.794   7.515  -3.428
  106    H1     G  10           H1         G  10  -7.381   6.062   1.827
  107   1H2     G  10          1H2         G  10  -8.784   5.912   3.613
  108   2H2     G  10          2H2         G  10 -10.530   5.959   3.393
  109   1H5*    U  11          1H5*        U  11 -14.785  10.191   1.644
  110   2H5*    U  11          2H5*        U  11 -14.549  11.865   2.178
  111    H4*    U  11           H4*        U  11 -13.691  10.135   3.816
  112    H3*    U  11           H3*        U  11 -11.630  12.036   2.688
  113    H2*    U  11           H2*        U  11 -10.165  11.019   4.308
  114   2HO*    U  11          2HO*        U  11 -11.841  10.889   5.927
  115    H1*    U  11           H1*        U  11 -10.910   8.459   3.729
  116    H3     U  11           H3         U  11  -6.662   9.279   2.251
  117    H5     U  11           H5         U  11  -9.185  10.644  -0.841
  118    H6     U  11           H6         U  11 -11.049  10.374   0.631
  119   1H5*    A  12          1H5*        A  12 -13.078  13.646   6.802
  120   2H5*    A  12          2H5*        A  12 -12.443  15.252   7.174
  121    H4*    A  12           H4*        A  12 -11.167  13.275   8.142
  122    H3*    A  12           H3*        A  12  -9.700  15.282   6.444
  123    H2*    A  12           H2*        A  12  -7.705  14.121   7.068
  124   2HO*    A  12          2HO*        A  12  -8.296  13.857   9.281
  125    H1*    A  12           H1*        A  12  -8.793  11.583   6.732
  126    H8     A  12           H8         A  12 -10.053  13.817   4.006
  127   1H6     A  12          1H6         A  12  -4.822  12.565   0.955
  128   2H6     A  12          2H6         A  12  -6.463  13.186   0.858
  129    H2     A  12           H2         A  12  -4.205  11.466   5.264
  130   1H5*    U  13          1H5*        U  13  -6.611  17.015  10.715
  131   2H5*    U  13          2H5*        U  13  -6.563  17.401   8.997
  132    H4*    U  13           H4*        U  13  -5.150  15.170  10.469
  133    H3*    U  13           H3*        U  13  -4.549  17.365   8.468
  134    H2*    U  13           H2*        U  13  -2.783  16.161   7.497
  135   2HO*    U  13          2HO*        U  13  -2.336  15.337   9.825
  136    H1*    U  13           H1*        U  13  -4.112  13.765   7.392
  137    H3     U  13           H3         U  13  -4.195  15.212   3.061
  138    H5     U  13           H5         U  13  -7.656  16.737   4.946
  139    H6     U  13           H6         U  13  -6.608  16.303   7.062
  140   1H5*    C  14          1H5*        C  14  -0.969  17.108   9.544
  141   2H5*    C  14          2H5*        C  14  -0.285  18.676  10.018
  142    H4*    C  14           H4*        C  14   0.964  17.921   8.142
  143    H3*    C  14           H3*        C  14  -1.129  19.871   7.128
  144    H2*    C  14           H2*        C  14   0.154  19.753   5.030
  145   2HO*    C  14          2HO*        C  14   2.150  19.440   6.457
  146    H1*    C  14           H1*        C  14   0.129  17.025   5.095
  147   1H4     C  14          1H4         C  14  -5.134  19.016   2.023
  148   2H4     C  14          2H4         C  14  -5.987  19.278   3.528
  149    H5     C  14           H5         C  14  -4.881  18.901   5.753
  150    H6     C  14           H6         C  14  -2.814  18.336   6.808
  151   1H5*    A  15          1H5*        A  15   0.144  22.801   5.061
  152   2H5*    A  15          2H5*        A  15   1.340  21.483   5.147
  153    H4*    A  15           H4*        A  15   1.670  24.371   4.350
  154    H3*    A  15           H3*        A  15   1.192  22.251   2.757
  155    H2*    A  15           H2*        A  15   2.785  20.756   3.620
  156   2HO*    A  15          2HO*        A  15   3.732  22.253   1.474
  157    H1*    A  15           H1*        A  15   4.915  22.866   3.627
  158    H8     A  15           H8         A  15   4.004  19.490   4.812
  159   1H6     A  15          1H6         A  15   8.352  20.046   9.170
  160   2H6     A  15          2H6         A  15   7.237  18.960   8.347
  161    H2     A  15           H2         A  15   7.731  24.078   7.355
  162   1H5*    C  16          1H5*        C  16   1.602  21.518   0.105
  163   2H5*    C  16          2H5*        C  16   1.948  22.793  -1.023
  164    H4*    C  16           H4*        C  16   0.685  21.184  -2.112
  165    H3*    C  16           H3*        C  16  -0.340  23.695  -2.325
  166    H2*    C  16           H2*        C  16  -1.608  23.678  -0.333
  167   2HO*    C  16          2HO*        C  16  -3.846  23.161  -0.950
  168    H1*    C  16           H1*        C  16  -2.778  21.010  -0.944
  169   1H4     C  16          1H4         C  16  -3.975  22.459   5.276
  170   2H4     C  16          2H4         C  16  -2.323  22.066   5.710
  171    H5     C  16           H5         C  16  -0.691  21.322   3.959
  172    H6     C  16           H6         C  16  -0.301  21.047   1.641
  173   1H5*    G  17          1H5*        G  17   0.433  19.666  -5.351
  174   2H5*    G  17          2H5*        G  17   0.276  19.797  -3.602
  175    H4*    G  17           H4*        G  17   2.880  20.042  -5.191
  176    H3*    G  17           H3*        G  17   1.759  17.880  -3.360
  177    H2*    G  17           H2*        G  17   3.960  17.411  -2.707
  178   2HO*    G  17          2HO*        G  17   4.448  17.629  -5.172
  179    H1*    G  17           H1*        G  17   4.906  20.085  -3.136
  180    H8     G  17           H8         G  17   6.215  19.577  -0.972
  181    H1     G  17           H1         G  17   0.891  18.029   2.263
  182   1H2     G  17          1H2         G  17  -0.831  17.921   0.911
  183   2H2     G  17          2H2         G  17  -0.688  18.355  -0.787
  184   1H5*    G  18          1H5*        G  18   4.134  15.542  -4.143
  185   2H5*    G  18          2H5*        G  18   3.604  13.865  -4.324
  186    H4*    G  18           H4*        G  18   4.721  14.663  -2.081
  187    H3*    G  18           H3*        G  18   2.188  13.014  -2.174
  188    H2*    G  18           H2*        G  18   2.295  12.952   0.227
  189   2HO*    G  18          2HO*        G  18   4.749  12.851  -0.006
  190    H1*    G  18           H1*        G  18   2.911  15.609   0.541
  191    H8     G  18           H8         G  18   0.380  15.197  -2.270
  192    H1     G  18           H1         G  18  -2.189  14.589   3.599
  193   1H2     G  18          1H2         G  18  -0.544  14.335   5.113
  194   2H2     G  18          2H2         G  18   1.147  14.452   4.652
  195   1H5*    U  19          1H5*        U  19   4.871  11.143   0.697
  196   2H5*    U  19          2H5*        U  19   4.673   9.390   0.691
  197    H4*    U  19           H4*        U  19   4.204  10.570   2.886
  198    H3*    U  19           H3*        U  19   2.022   8.833   1.679
  199    H2*    U  19           H2*        U  19   0.853   9.199   3.762
  200   2HO*    U  19          2HO*        U  19   2.859   9.077   4.995
  201    H1*    U  19           H1*        U  19   1.318  11.879   3.837
  202    H3     U  19           H3         U  19  -3.108  11.573   2.663
  203    H5     U  19           H5         U  19  -0.955  11.240  -0.938
  204    H6     U  19           H6         U  19   1.047  10.991   0.324
  205   1H5*    A  20          1H5*        A  20   3.162   7.098   5.526
  206   2H5*    A  20          2H5*        A  20   2.885   5.345   5.555
  207    H4*    A  20           H4*        A  20   1.511   6.612   7.207
  208    H3*    A  20           H3*        A  20  -0.123   5.176   5.050
  209    H2*    A  20           H2*        A  20  -1.993   5.836   6.278
  210   2HO*    A  20          2HO*        A  20  -1.906   6.817   8.248
  211    H1*    A  20           H1*        A  20  -1.335   8.301   6.539
  212    H8     A  20           H8         A  20   0.121   7.237   3.126
  213   1H6     A  20          1H6         A  20  -5.256   9.024   0.732
  214   2H6     A  20          2H6         A  20  -3.624   8.469   0.453
  215    H2     A  20           H2         A  20  -5.717   8.920   5.238
  216   1H5*    C  21          1H5*        C  21  -1.861   4.534   8.507
  217   2H5*    C  21          2H5*        C  21  -2.374   2.956   8.812
  218    H4*    C  21           H4*        C  21  -4.257   4.491   8.958
  219    H3*    C  21           H3*        C  21  -4.450   2.615   6.564
  220    H2*    C  21           H2*        C  21  -6.591   3.585   6.159
  221   2HO*    C  21          2HO*        C  21  -6.924   3.730   8.558
  222    H1*    C  21           H1*        C  21  -5.738   6.168   6.484
  223   1H4     C  21          1H4         C  21  -5.220   5.606   0.281
  224   2H4     C  21          2H4         C  21  -3.554   5.069   0.402
  225    H5     C  21           H5         C  21  -2.524   4.477   2.630
  226    H6     C  21           H6         C  21  -2.904   4.437   4.987
  227   1H5*    C  22          1H5*        C  22  -8.123   2.081   8.723
  228   2H5*    C  22          2H5*        C  22  -8.670   0.394   8.620
  229    H4*    C  22           H4*        C  22 -10.235   2.065   7.529
  230    H3*    C  22           H3*        C  22  -8.932  -0.030   5.760
  231    H2*    C  22           H2*        C  22 -10.244   0.785   3.991
  232   2HO*    C  22          2HO*        C  22 -11.985   2.081   4.230
  233    H1*    C  22           H1*        C  22  -9.970   3.475   4.705
  234   1H4     C  22          1H4         C  22  -6.328   2.627  -0.372
  235   2H4     C  22          2H4         C  22  -4.999   2.000   0.573
  236    H5     C  22           H5         C  22  -5.186   1.726   3.098
  237    H6     C  22           H6         C  22  -6.702   1.834   4.952
  238   1H5*    U  23          1H5*        U  23 -13.016  -0.284   4.776
  239   2H5*    U  23          2H5*        U  23 -13.472  -1.956   4.418
  240    H4*    U  23           H4*        U  23 -13.793  -0.400   2.498
  241    H3*    U  23           H3*        U  23 -11.755  -2.614   2.128
  242    H2*    U  23           H2*        U  23 -11.668  -1.921  -0.199
  243   2HO*    U  23          2HO*        U  23 -14.023  -1.490  -0.165
  244    H1*    U  23           H1*        U  23 -11.600   0.754   0.381
  245    H3     U  23           H3         U  23  -7.433  -0.084  -1.173
  246    H5     U  23           H5         U  23  -7.381  -1.572   2.770
  247    H6     U  23           H6         U  23  -9.750  -1.190   2.894
  248   1H5*    U  24          1H5*        U  24 -14.809  -2.756  -1.101
  249   2H5*    U  24          2H5*        U  24 -15.035  -4.430  -1.625
  250    H4*    U  24           H4*        U  24 -14.362  -2.835  -3.460
  251    H3*    U  24           H3*        U  24 -12.498  -5.146  -2.826
  252    H2*    U  24           H2*        U  24 -11.337  -4.507  -4.854
  253   2HO*    U  24          2HO*        U  24 -13.492  -3.995  -5.840
  254    H1*    U  24           H1*        U  24 -11.444  -1.798  -4.290
  255    H3     U  24           H3         U  24  -7.036  -2.824  -3.882
  256    H5     U  24           H5         U  24  -8.752  -4.325  -0.366
  257    H6     U  24           H6         U  24 -10.955  -3.891  -1.289
  258   1H5*    U  25          1H5*        U  25 -13.503  -5.516  -7.018
  259   2H5*    U  25          2H5*        U  25 -13.564  -7.229  -7.463
  260    H4*    U  25           H4*        U  25 -11.896  -5.921  -8.770
  261    H3*    U  25           H3*        U  25 -10.729  -8.096  -6.986
  262    H2*    U  25           H2*        U  25  -8.674  -7.653  -8.101
  263   2HO*    U  25          2HO*        U  25  -9.676  -7.379 -10.188
  264    H1*    U  25           H1*        U  25  -8.931  -4.921  -7.962
  265    H3     U  25           H3         U  25  -5.580  -5.950  -5.037
  266    H5     U  25           H5         U  25  -9.094  -6.802  -2.925
  267    H6     U  25           H6         U  25 -10.357  -6.476  -4.961
  268   1H5*    G  26          1H5*        G  26  -9.773  -9.130 -11.028
  269   2H5*    G  26          2H5*        G  26  -9.607 -10.884 -11.239
  270    H4*    G  26           H4*        G  26  -7.515  -9.540 -11.681
  271    H3*    G  26           H3*        G  26  -7.455 -11.610  -9.465
  272    H2*    G  26           H2*        G  26  -5.081 -11.150  -9.298
  273   2HO*    G  26          2HO*        G  26  -5.055 -10.865 -11.719
  274    H1*    G  26           H1*        G  26  -5.391  -8.424  -9.381
  275    H8     G  26           H8         G  26  -8.314  -9.598  -7.288
  276    H1     G  26           H1         G  26  -2.677  -9.799  -4.198
  277   1H2     G  26          1H2         G  26  -0.975  -9.737  -5.731
  278   2H2     G  26          2H2         G  26  -1.321  -9.499  -7.437
  279   1H5*    U  27          1H5*        U  27  -4.095 -12.493 -12.114
  280   2H5*    U  27          2H5*        U  27  -3.854 -14.244 -12.217
  281    H4*    U  27           H4*        U  27  -1.856 -12.972 -11.406
  282    H3*    U  27           H3*        U  27  -3.046 -14.948  -9.423
  283    H2*    U  27           H2*        U  27  -1.070 -14.528  -8.145
  284   2HO*    U  27          2HO*        U  27   0.319 -14.369 -10.028
  285    H1*    U  27           H1*        U  27  -1.243 -11.820  -8.403
  286    H3     U  27           H3         U  27  -2.358 -12.966  -4.097
  287    H5     U  27           H5         U  27  -5.914 -13.371  -6.313
  288    H6     U  27           H6         U  27  -4.639 -13.092  -8.331
  289   1H5*    G  28          1H5*        G  28   1.170 -16.188 -10.257
  290   2H5*    G  28          2H5*        G  28   1.430 -17.872  -9.772
  291    H4*    G  28           H4*        G  28   2.742 -16.008  -8.572
  292    H3*    G  28           H3*        G  28   1.311 -18.075  -6.925
  293    H2*    G  28           H2*        G  28   2.293 -16.934  -5.001
  294   2HO*    G  28          2HO*        G  28   4.229 -16.470  -6.477
  295    H1*    G  28           H1*        G  28   1.549 -14.446  -5.801
  296    H8     G  28           H8         G  28  -1.352 -16.371  -7.100
  297    H1     G  28           H1         G  28  -1.454 -15.846  -0.704
  298   1H2     G  28          1H2         G  28   0.629 -15.338   0.065
  299   2H2     G  28          2H2         G  28   1.940 -15.022  -1.058
  300   1H5*    U  29          1H5*        U  29   5.109 -17.811  -5.310
  301   2H5*    U  29          2H5*        U  29   5.830 -19.387  -4.945
  302    H4*    U  29           H4*        U  29   5.615 -17.972  -2.941
  303    H3*    U  29           H3*        U  29   3.886 -20.470  -2.956
  304    H2*    U  29           H2*        U  29   3.315 -19.962  -0.708
  305   2HO*    U  29          2HO*        U  29   5.592 -19.115  -0.411
  306    H1*    U  29           H1*        U  29   2.813 -17.325  -1.176
  307    H3     U  29           H3         U  29  -1.364 -19.314  -0.806
  308    H5     U  29           H5         U  29  -0.310 -19.412  -4.874
  309    H6     U  29           H6         U  29   1.884 -18.818  -4.292
  310   1H5*    C  30          1H5*        C  30   6.354 -20.652   0.410
  311   2H5*    C  30          2H5*        C  30   6.875 -22.305   0.777
  312    H4*    C  30           H4*        C  30   5.604 -21.242   2.617
  313    H3*    C  30           H3*        C  30   4.246 -23.608   1.263
  314    H2*    C  30           H2*        C  30   2.603 -23.507   3.002
  315   2HO*    C  30          2HO*        C  30   4.569 -22.884   4.472
  316    H1*    C  30           H1*        C  30   2.549 -20.711   3.069
  317   1H4     C  30          1H4         C  30  -2.630 -22.225  -0.201
  318   2H4     C  30          2H4         C  30  -1.748 -22.359  -1.711
  319    H5     C  30           H5         C  30   0.790 -22.374  -1.729
  320    H6     C  30           H6         C  30   2.743 -22.058  -0.356
  321    H3T    C  30           HE         C  30   5.217 -24.756   2.881
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1 -10.134 -22.066   9.052
    2   2H5*    G   1          2H5*        G   1 -10.241 -20.320   9.333
    3    H4*    G   1           H4*        G   1  -8.096 -21.120  10.133
    4    H3*    G   1           H3*        G   1  -7.835 -19.552   7.555
    5    H2*    G   1           H2*        G   1  -5.468 -19.669   7.912
    6   2HO*    G   1          2HO*        G   1  -5.869 -19.454  10.306
    7    H1*    G   1           H1*        G   1  -5.469 -22.309   8.573
    8    H8     G   1           H8         G   1  -8.062 -21.921   5.829
    9    H1     G   1           H1         G   1  -2.005 -21.692   3.682
   10   1H2     G   1          1H2         G   1  -0.592 -21.482   5.460
   11   2H2     G   1          2H2         G   1  -1.202 -21.458   7.109
   12   1H5*    G   2          1H5*        G   2  -5.146 -17.741  10.301
   13   2H5*    G   2          2H5*        G   2  -5.078 -15.995  10.033
   14    H4*    G   2           H4*        G   2  -2.853 -17.184   9.742
   15    H3*    G   2           H3*        G   2  -3.967 -15.775   7.302
   16    H2*    G   2           H2*        G   2  -1.779 -16.166   6.416
   17   2HO*    G   2          2HO*        G   2  -0.756 -15.724   8.520
   18    H1*    G   2           H1*        G   2  -1.630 -18.762   7.372
   19    H8     G   2           H8         G   2  -5.097 -18.307   5.950
   20    H1     G   2           H1         G   2  -0.484 -18.502   1.447
   21   1H2     G   2          1H2         G   2   1.515 -18.425   2.421
   22   2H2     G   2          2H2         G   2   1.692 -18.387   4.171
   23   1H5*    C   3          1H5*        C   3  -0.198 -14.090   8.589
   24   2H5*    C   3          2H5*        C   3   0.067 -12.433   8.059
   25    H4*    C   3           H4*        C   3   1.649 -14.344   7.234
   26    H3*    C   3           H3*        C   3   0.384 -12.371   5.284
   27    H2*    C   3           H2*        C   3   1.565 -13.431   3.504
   28   2HO*    C   3          2HO*        C   3   3.435 -13.685   5.054
   29    H1*    C   3           H1*        C   3   1.115 -15.995   4.384
   30   1H4     C   3          1H4         C   3  -3.385 -15.374   0.023
   31   2H4     C   3          2H4         C   3  -4.500 -14.741   1.213
   32    H5     C   3           H5         C   3  -3.768 -14.115   3.530
   33    H6     C   3           H6         C   3  -1.894 -14.095   5.028
   34   1H5*    A   4          1H5*        A   4   2.078  -8.353   4.982
   35   2H5*    A   4          2H5*        A   4   0.440  -8.731   4.440
   36    H4*    A   4           H4*        A   4   2.982 -10.281   3.744
   37    H3*    A   4           H3*        A   4   1.053  -8.516   2.185
   38    H2*    A   4           H2*        A   4   1.641  -9.763   0.239
   39   2HO*    A   4          2HO*        A   4   3.938  -9.712   1.122
   40    H1*    A   4           H1*        A   4   1.808 -12.215   1.593
   41    H8     A   4           H8         A   4  -1.350 -10.971   2.920
   42   1H6     A   4          1H6         A   4  -4.176 -12.757  -2.259
   43   2H6     A   4          2H6         A   4  -4.328 -12.199  -0.603
   44    H2     A   4           H2         A   4   0.272 -12.756  -3.049
   45   1H5*    C   5          1H5*        C   5   4.601  -7.858  -0.181
   46   2H5*    C   5          2H5*        C   5   4.553  -6.192  -0.794
   47    H4*    C   5           H4*        C   5   4.410  -7.926  -2.601
   48    H3*    C   5           H3*        C   5   1.937  -6.209  -2.226
   49    H2*    C   5           H2*        C   5   1.097  -7.276  -4.190
   50   2HO*    C   5          2HO*        C   5   2.314  -8.462  -5.557
   51    H1*    C   5           H1*        C   5   1.963  -9.802  -3.444
   52   1H4     C   5          1H4         C   5  -4.258  -9.273  -2.209
   53   2H4     C   5          2H4         C   5  -3.962  -8.419  -0.711
   54    H5     C   5           H5         C   5  -1.638  -7.814   0.039
   55    H6     C   5           H6         C   5   0.681  -7.836  -0.612
   56   1H5*    U   6          1H5*        U   6   2.715  -5.896  -6.300
   57   2H5*    U   6          2H5*        U   6   2.379  -4.307  -6.993
   58    H4*    U   6           H4*        U   6   1.054  -6.213  -7.982
   59    H3*    U   6           H3*        U   6  -0.480  -3.942  -6.702
   60    H2*    U   6           H2*        U   6  -2.515  -5.042  -7.284
   61   2HO*    U   6          2HO*        U   6  -1.450  -5.709  -9.354
   62    H1*    U   6           H1*        U   6  -1.722  -7.546  -6.579
   63    H3     U   6           H3         U   6  -4.888  -6.214  -3.562
   64    H5     U   6           H5         U   6  -1.167  -5.155  -1.910
   65    H6     U   6           H6         U   6  -0.157  -5.550  -4.031
   66   1H5*    C   7          1H5*        C   7  -1.295  -3.269 -11.038
   67   2H5*    C   7          2H5*        C   7  -1.429  -1.552 -11.469
   68    H4*    C   7           H4*        C   7  -3.676  -2.704 -11.060
   69    H3*    C   7           H3*        C   7  -2.875  -0.462  -9.174
   70    H2*    C   7           H2*        C   7  -5.027  -0.671  -8.228
   71   2HO*    C   7          2HO*        C   7  -6.237  -0.686 -10.129
   72    H1*    C   7           H1*        C   7  -5.179  -3.476  -8.729
   73   1H4     C   7          1H4         C   7  -4.913  -2.883  -2.467
   74   2H4     C   7          2H4         C   7  -3.162  -2.732  -2.430
   75    H5     C   7           H5         C   7  -1.840  -2.577  -4.648
   76    H6     C   7           H6         C   7  -2.111  -2.493  -7.031
   77   1H5*    U   8          1H5*        U   8  -6.785   0.245 -11.788
   78   2H5*    U   8          2H5*        U   8  -6.904   2.004 -11.976
   79    H4*    U   8           H4*        U   8  -9.059   0.952 -11.287
   80    H3*    U   8           H3*        U   8  -7.782   2.871  -9.310
   81    H2*    U   8           H2*        U   8  -9.841   2.680  -8.068
   82   2HO*    U   8          2HO*        U   8 -11.051   2.652 -10.140
   83    H1*    U   8           H1*        U   8 -10.050  -0.052  -8.398
   84    H3     U   8           H3         U   8  -9.208   0.479  -3.942
   85    H5     U   8           H5         U   8  -5.447   0.788  -5.817
   86    H6     U   8           H6         U   8  -6.563   0.917  -7.947
   87   1H5*    G   9          1H5*        G   9 -11.842   4.495 -10.056
   88   2H5*    G   9          2H5*        G   9 -11.773   6.251  -9.823
   89    H4*    G   9           H4*        G   9 -13.323   5.056  -8.245
   90    H3*    G   9           H3*        G   9 -10.971   6.518  -7.010
   91    H2*    G   9           H2*        G   9 -11.991   5.988  -4.867
   92   2HO*    G   9          2HO*        G   9 -14.168   6.285  -5.860
   93    H1*    G   9           H1*        G   9 -12.455   3.374  -5.504
   94    H8     G   9           H8         G   9  -9.104   4.461  -7.044
   95    H1     G   9           H1         G   9  -8.871   3.170  -0.751
   96   1H2     G   9          1H2         G   9 -10.992   3.133   0.083
   97   2H2     G   9          2H2         G   9 -12.367   3.177  -1.010
   98   1H5*    G  10          1H5*        G  10 -14.706   7.839  -5.031
   99   2H5*    G  10          2H5*        G  10 -14.545   9.515  -4.491
  100    H4*    G  10           H4*        G  10 -15.089   7.805  -2.689
  101    H3*    G  10           H3*        G  10 -12.601   9.510  -2.402
  102    H2*    G  10           H2*        G  10 -12.383   8.530  -0.193
  103   2HO*    G  10          2HO*        G  10 -14.810   8.576  -0.032
  104    H1*    G  10           H1*        G  10 -12.893   5.975  -1.026
  105    H8     G  10           H8         G  10 -10.783   7.467  -3.784
  106    H1     G  10           H1         G  10  -7.447   5.961   1.504
  107   1H2     G  10          1H2         G  10  -8.883   5.749   3.258
  108   2H2     G  10          2H2         G  10 -10.626   5.789   3.007
  109   1H5*    U  11          1H5*        U  11 -14.848   9.923   1.375
  110   2H5*    U  11          2H5*        U  11 -14.664  11.584   1.966
  111    H4*    U  11           H4*        U  11 -13.812   9.833   3.584
  112    H3*    U  11           H3*        U  11 -11.759  11.791   2.546
  113    H2*    U  11           H2*        U  11 -10.328  10.772   4.193
  114   2HO*    U  11          2HO*        U  11 -12.045  10.575   5.762
  115    H1*    U  11           H1*        U  11 -11.005   8.213   3.538
  116    H3     U  11           H3         U  11  -6.729   9.174   2.213
  117    H5     U  11           H5         U  11  -9.197  10.514  -0.939
  118    H6     U  11           H6         U  11 -11.097  10.161   0.469
  119   1H5*    A  12          1H5*        A  12 -13.253  13.280   6.664
  120   2H5*    A  12          2H5*        A  12 -12.622  14.874   7.098
  121    H4*    A  12           H4*        A  12 -11.389  12.847   8.045
  122    H3*    A  12           H3*        A  12  -9.864  14.918   6.485
  123    H2*    A  12           H2*        A  12  -7.894  13.732   7.121
  124   2HO*    A  12          2HO*        A  12  -8.544  13.371   9.299
  125    H1*    A  12           H1*        A  12  -8.973  11.206   6.635
  126    H8     A  12           H8         A  12 -10.149  13.555   3.979
  127   1H6     A  12          1H6         A  12  -4.814  12.502   1.044
  128   2H6     A  12          2H6         A  12  -6.456  13.115   0.931
  129    H2     A  12           H2         A  12  -4.316  11.205   5.318
  130   1H5*    U  13          1H5*        U  13  -6.940  16.427  10.968
  131   2H5*    U  13          2H5*        U  13  -6.828  16.939   9.287
  132    H4*    U  13           H4*        U  13  -5.428  14.637  10.658
  133    H3*    U  13           H3*        U  13  -4.819  16.925   8.770
  134    H2*    U  13           H2*        U  13  -2.989  15.811   7.830
  135   2HO*    U  13          2HO*        U  13  -2.169  13.892   8.685
  136    H1*    U  13           H1*        U  13  -4.295  13.411   7.546
  137    H3     U  13           H3         U  13  -4.212  15.102   3.308
  138    H5     U  13           H5         U  13  -7.777  16.452   5.130
  139    H6     U  13           H6         U  13  -6.805  15.916   7.258
  140   1H5*    C  14          1H5*        C  14  -1.289  16.590  10.004
  141   2H5*    C  14          2H5*        C  14  -0.589  18.118  10.572
  142    H4*    C  14           H4*        C  14   0.752  17.364   8.749
  143    H3*    C  14           H3*        C  14  -1.168  19.479   7.719
  144    H2*    C  14           H2*        C  14   0.221  19.397   5.692
  145   2HO*    C  14          2HO*        C  14   2.118  18.906   7.200
  146    H1*    C  14           H1*        C  14   0.048  16.686   5.595
  147   1H4     C  14          1H4         C  14  -5.011  18.894   2.375
  148   2H4     C  14          2H4         C  14  -5.930  19.123   3.845
  149    H5     C  14           H5         C  14  -4.931  18.672   6.107
  150    H6     C  14           H6         C  14  -2.922  18.035   7.236
  151   1H5*    A  15          1H5*        A  15   0.257  22.497   6.020
  152   2H5*    A  15          2H5*        A  15   1.398  21.127   6.018
  153    H4*    A  15           H4*        A  15   1.841  24.052   5.462
  154    H3*    A  15           H3*        A  15   1.370  22.058   3.706
  155    H2*    A  15           H2*        A  15   2.905  20.475   4.488
  156   2HO*    A  15          2HO*        A  15   3.952  22.111   2.502
  157    H1*    A  15           H1*        A  15   5.076  22.520   4.749
  158    H8     A  15           H8         A  15   4.071  19.081   5.585
  159   1H6     A  15          1H6         A  15   8.330  19.153  10.067
  160   2H6     A  15          2H6         A  15   7.241  18.158   9.104
  161    H2     A  15           H2         A  15   7.701  23.362   8.738
  162   1H5*    C  16          1H5*        C  16   1.822  21.530   0.985
  163   2H5*    C  16          2H5*        C  16   2.182  22.888  -0.044
  164    H4*    C  16           H4*        C  16   0.876  21.376  -1.241
  165    H3*    C  16           H3*        C  16  -0.075  23.925  -1.259
  166    H2*    C  16           H2*        C  16  -1.355  23.778   0.725
  167   2HO*    C  16          2HO*        C  16  -3.606  23.361   0.048
  168    H1*    C  16           H1*        C  16  -2.573  21.187  -0.116
  169   1H4     C  16          1H4         C  16  -3.906  22.135   6.165
  170   2H4     C  16          2H4         C  16  -2.263  21.717   6.605
  171    H5     C  16           H5         C  16  -0.593  21.100   4.840
  172    H6     C  16           H6         C  16  -0.144  21.021   2.517
  173   1H5*    G  17          1H5*        G  17   0.626  20.132  -4.598
  174   2H5*    G  17          2H5*        G  17   0.476  20.121  -2.843
  175    H4*    G  17           H4*        G  17   3.080  20.437  -4.419
  176    H3*    G  17           H3*        G  17   1.911  18.158  -2.772
  177    H2*    G  17           H2*        G  17   4.092  17.594  -2.139
  178   2HO*    G  17          2HO*        G  17   4.610  17.990  -4.576
  179    H1*    G  17           H1*        G  17   5.111  20.262  -2.338
  180    H8     G  17           H8         G  17   6.357  19.589  -0.163
  181    H1     G  17           H1         G  17   0.922  17.895   2.798
  182   1H2     G  17          1H2         G  17  -0.762  17.881   1.384
  183   2H2     G  17          2H2         G  17  -0.565  18.410  -0.279
  184   1H5*    G  18          1H5*        G  18   4.212  15.816  -3.725
  185   2H5*    G  18          2H5*        G  18   3.623  14.173  -4.003
  186    H4*    G  18           H4*        G  18   4.744  14.853  -1.702
  187    H3*    G  18           H3*        G  18   2.231  13.187  -1.920
  188    H2*    G  18           H2*        G  18   2.314  12.993   0.477
  189   2HO*    G  18          2HO*        G  18   4.770  12.932   0.277
  190    H1*    G  18           H1*        G  18   2.883  15.632   0.948
  191    H8     G  18           H8         G  18   0.411  15.343  -1.928
  192    H1     G  18           H1         G  18  -2.253  14.421   3.860
  193   1H2     G  18          1H2         G  18  -0.621  14.073   5.380
  194   2H2     G  18          2H2         G  18   1.075  14.233   4.951
  195   1H5*    U  19          1H5*        U  19   4.869  11.197   0.925
  196   2H5*    U  19          2H5*        U  19   4.679   9.446   0.830
  197    H4*    U  19           H4*        U  19   4.161  10.510   3.067
  198    H3*    U  19           H3*        U  19   1.994   8.843   1.738
  199    H2*    U  19           H2*        U  19   0.797   9.102   3.822
  200   2HO*    U  19          2HO*        U  19   2.792   8.928   5.073
  201    H1*    U  19           H1*        U  19   1.245  11.774   4.023
  202    H3     U  19           H3         U  19  -3.156  11.418   2.728
  203    H5     U  19           H5         U  19  -0.909  11.333  -0.829
  204    H6     U  19           H6         U  19   1.068  11.085   0.469
  205   1H5*    A  20          1H5*        A  20   3.089   6.853   5.469
  206   2H5*    A  20          2H5*        A  20   2.801   5.105   5.374
  207    H4*    A  20           H4*        A  20   1.440   6.272   7.095
  208    H3*    A  20           H3*        A  20  -0.201   4.958   4.862
  209    H2*    A  20           H2*        A  20  -2.077   5.556   6.152
  210   2HO*    A  20          2HO*        A  20  -0.697   5.294   8.204
  211    H1*    A  20           H1*        A  20  -1.427   7.996   6.560
  212    H8     A  20           H8         A  20   0.082   7.186   3.102
  213   1H6     A  20          1H6         A  20  -5.297   8.933   0.705
  214   2H6     A  20          2H6         A  20  -3.644   8.440   0.436
  215    H2     A  20           H2         A  20  -5.829   8.599   5.200
  216   1H5*    C  21          1H5*        C  21  -2.122   4.126   8.197
  217   2H5*    C  21          2H5*        C  21  -2.593   2.503   8.367
  218    H4*    C  21           H4*        C  21  -4.519   3.989   8.488
  219    H3*    C  21           H3*        C  21  -4.567   2.293   5.948
  220    H2*    C  21           H2*        C  21  -6.717   3.271   5.568
  221   2HO*    C  21          2HO*        C  21  -7.177   3.217   7.920
  222    H1*    C  21           H1*        C  21  -5.882   5.824   6.104
  223   1H4     C  21          1H4         C  21  -5.205   5.533  -0.115
  224   2H4     C  21          2H4         C  21  -3.531   5.015   0.016
  225    H5     C  21           H5         C  21  -2.534   4.380   2.259
  226    H6     C  21           H6         C  21  -2.977   4.254   4.606
  227   1H5*    C  22          1H5*        C  22  -8.247   1.507   8.057
  228   2H5*    C  22          2H5*        C  22  -8.824  -0.148   7.772
  229    H4*    C  22           H4*        C  22 -10.350   1.692   6.908
  230    H3*    C  22           H3*        C  22  -9.210  -0.306   4.924
  231    H2*    C  22           H2*        C  22 -10.548   0.765   3.264
  232   2HO*    C  22          2HO*        C  22 -12.256   1.026   5.022
  233    H1*    C  22           H1*        C  22 -10.043   3.339   4.137
  234   1H4     C  22          1H4         C  22  -6.370   2.554  -0.925
  235   2H4     C  22          2H4         C  22  -5.079   1.824   0.000
  236    H5     C  22           H5         C  22  -5.308   1.475   2.520
  237    H6     C  22           H6         C  22  -6.846   1.557   4.349
  238   1H5*    U  23          1H5*        U  23 -13.306  -0.258   3.883
  239   2H5*    U  23          2H5*        U  23 -13.831  -1.898   3.471
  240    H4*    U  23           H4*        U  23 -14.029  -0.275   1.584
  241    H3*    U  23           H3*        U  23 -12.099  -2.583   1.213
  242    H2*    U  23           H2*        U  23 -11.890  -1.834  -1.083
  243   2HO*    U  23          2HO*        U  23 -14.192  -1.321  -1.199
  244    H1*    U  23           H1*        U  23 -11.746   0.823  -0.435
  245    H3     U  23           H3         U  23  -7.569  -0.080  -1.910
  246    H5     U  23           H5         U  23  -7.653  -1.657   1.999
  247    H6     U  23           H6         U  23 -10.017  -1.227   2.070
  248   1H5*    U  24          1H5*        U  24 -15.124  -2.515  -2.100
  249   2H5*    U  24          2H5*        U  24 -15.388  -4.168  -2.676
  250    H4*    U  24           H4*        U  24 -14.595  -2.548  -4.454
  251    H3*    U  24           H3*        U  24 -12.813  -4.911  -3.802
  252    H2*    U  24           H2*        U  24 -11.553  -4.272  -5.752
  253   2HO*    U  24          2HO*        U  24 -12.237  -2.707  -7.164
  254    H1*    U  24           H1*        U  24 -11.608  -1.572  -5.096
  255    H3     U  24           H3         U  24  -7.278  -2.748  -4.629
  256    H5     U  24           H5         U  24  -9.109  -4.230  -1.161
  257    H6     U  24           H6         U  24 -11.281  -3.755  -2.145
  258   1H5*    U  25          1H5*        U  25 -13.558  -5.080  -7.971
  259   2H5*    U  25          2H5*        U  25 -13.725  -6.756  -8.522
  260    H4*    U  25           H4*        U  25 -11.930  -5.544  -9.719
  261    H3*    U  25           H3*        U  25 -10.965  -7.824  -7.943
  262    H2*    U  25           H2*        U  25  -8.831  -7.483  -8.926
  263   2HO*    U  25          2HO*        U  25  -9.953  -7.046 -11.034
  264    H1*    U  25           H1*        U  25  -8.936  -4.733  -8.769
  265    H3     U  25           H3         U  25  -5.799  -5.963  -5.694
  266    H5     U  25           H5         U  25  -9.453  -6.594  -3.756
  267    H6     U  25           H6         U  25 -10.592  -6.226  -5.855
  268   1H5*    G  26          1H5*        G  26  -9.609  -9.007 -11.816
  269   2H5*    G  26          2H5*        G  26  -9.652 -10.778 -11.952
  270    H4*    G  26           H4*        G  26  -7.337  -9.790 -12.100
  271    H3*    G  26           H3*        G  26  -7.911 -11.592  -9.731
  272    H2*    G  26           H2*        G  26  -5.577 -11.438  -9.224
  273   2HO*    G  26          2HO*        G  26  -4.405 -11.501 -10.984
  274    H1*    G  26           H1*        G  26  -5.454  -8.711  -9.759
  275    H8     G  26           H8         G  26  -8.568  -9.323  -7.701
  276    H1     G  26           H1         G  26  -3.069  -9.899  -4.400
  277   1H2     G  26          1H2         G  26  -1.324 -10.075  -5.892
  278   2H2     G  26          2H2         G  26  -1.622  -9.923  -7.618
  279   1H5*    U  27          1H5*        U  27  -4.429 -13.075 -12.102
  280   2H5*    U  27          2H5*        U  27  -4.348 -14.839 -12.001
  281    H4*    U  27           H4*        U  27  -2.232 -13.668 -11.344
  282    H3*    U  27           H3*        U  27  -3.560 -15.312  -9.153
  283    H2*    U  27           H2*        U  27  -1.510 -14.995  -7.975
  284   2HO*    U  27          2HO*        U  27  -0.110 -15.132  -9.794
  285    H1*    U  27           H1*        U  27  -1.458 -12.313  -8.456
  286    H3     U  27           H3         U  27  -2.614 -13.036  -4.050
  287    H5     U  27           H5         U  27  -6.214 -13.322  -6.228
  288    H6     U  27           H6         U  27  -4.946 -13.284  -8.256
  289   1H5*    G  28          1H5*        G  28   0.409 -17.102 -10.122
  290   2H5*    G  28          2H5*        G  28   0.543 -18.753  -9.493
  291    H4*    G  28           H4*        G  28   2.123 -16.917  -8.571
  292    H3*    G  28           H3*        G  28   0.624 -18.668  -6.649
  293    H2*    G  28           H2*        G  28   1.910 -17.510  -4.934
  294   2HO*    G  28          2HO*        G  28   3.532 -16.088  -5.415
  295    H1*    G  28           H1*        G  28   1.353 -15.016  -5.943
  296    H8     G  28           H8         G  28  -1.868 -16.692  -6.644
  297    H1     G  28           H1         G  28  -0.958 -15.672  -0.364
  298   1H2     G  28          1H2         G  28   1.259 -15.384   0.049
  299   2H2     G  28          2H2         G  28   2.410 -15.270  -1.270
  300   1H5*    U  29          1H5*        U  29   4.519 -18.748  -5.484
  301   2H5*    U  29          2H5*        U  29   5.146 -20.361  -5.102
  302    H4*    U  29           H4*        U  29   5.347 -18.859  -3.179
  303    H3*    U  29           H3*        U  29   3.313 -21.094  -2.814
  304    H2*    U  29           H2*        U  29   3.106 -20.398  -0.558
  305   2HO*    U  29          2HO*        U  29   5.496 -19.857  -0.594
  306    H1*    U  29           H1*        U  29   2.896 -17.744  -1.146
  307    H3     U  29           H3         U  29  -1.429 -19.048  -0.162
  308    H5     U  29           H5         U  29  -0.901 -19.602  -4.301
  309    H6     U  29           H6         U  29   1.403 -19.289  -4.028
  310   1H5*    C  30          1H5*        C  30   6.119 -21.511   0.222
  311   2H5*    C  30          2H5*        C  30   6.499 -23.210   0.554
  312    H4*    C  30           H4*        C  30   5.602 -22.023   2.524
  313    H3*    C  30           H3*        C  30   3.781 -24.178   1.371
  314    H2*    C  30           H2*        C  30   2.406 -23.876   3.302
  315   2HO*    C  30          2HO*        C  30   4.620 -23.554   4.496
  316    H1*    C  30           H1*        C  30   2.777 -21.095   3.379
  317   1H4     C  30          1H4         C  30  -3.000 -21.711   0.965
  318   2H4     C  30          2H4         C  30  -2.404 -21.933  -0.670
  319    H5     C  30           H5         C  30   0.092 -22.345  -1.093
  320    H6     C  30           H6         C  30   2.248 -22.368  -0.031
  321    H3T    C  30           HE         C  30   4.804 -25.468   2.830
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1 -12.073 -20.635   7.281
    2   2H5*    G   1          2H5*        G   1 -11.486 -21.695   5.989
    3    H4*    G   1           H4*        G   1 -10.201 -21.578   8.588
    4    H3*    G   1           H3*        G   1  -9.567 -20.056   6.070
    5    H2*    G   1           H2*        G   1  -7.250 -20.130   6.773
    6   2HO*    G   1          2HO*        G   1  -8.002 -19.920   9.082
    7    H1*    G   1           H1*        G   1  -7.316 -22.770   7.418
    8    H8     G   1           H8         G   1  -9.559 -22.427   4.380
    9    H1     G   1           H1         G   1  -3.308 -21.919   2.973
   10   1H2     G   1          1H2         G   1  -2.119 -21.716   4.914
   11   2H2     G   1          2H2         G   1  -2.923 -21.777   6.479
   12   1H5*    G   2          1H5*        G   2  -7.290 -18.238   9.210
   13   2H5*    G   2          2H5*        G   2  -7.200 -16.489   8.969
   14    H4*    G   2           H4*        G   2  -4.946 -17.654   9.049
   15    H3*    G   2           H3*        G   2  -5.656 -16.195   6.489
   16    H2*    G   2           H2*        G   2  -3.360 -16.532   5.963
   17   2HO*    G   2          2HO*        G   2  -2.742 -16.137   8.251
   18    H1*    G   2           H1*        G   2  -3.312 -19.154   6.845
   19    H8     G   2           H8         G   2  -6.543 -18.755   4.966
   20    H1     G   2           H1         G   2  -1.356 -18.478   1.123
   21   1H2     G   2          1H2         G   2   0.494 -18.476   2.379
   22   2H2     G   2          2H2         G   2   0.415 -18.496   4.137
   23   1H5*    C   3          1H5*        C   3  -2.265 -14.467   8.382
   24   2H5*    C   3          2H5*        C   3  -1.954 -12.777   7.969
   25    H4*    C   3           H4*        C   3  -0.243 -14.586   7.296
   26    H3*    C   3           H3*        C   3  -1.319 -12.590   5.246
   27    H2*    C   3           H2*        C   3   0.280 -13.462   3.698
   28   2HO*    C   3          2HO*        C   3   1.872 -13.615   5.503
   29    H1*    C   3           H1*        C   3  -0.184 -16.084   4.366
   30   1H4     C   3          1H4         C   3  -4.010 -15.450  -0.616
   31   2H4     C   3          2H4         C   3  -5.324 -14.953   0.426
   32    H5     C   3           H5         C   3  -4.989 -14.448   2.845
   33    H6     C   3           H6         C   3  -3.393 -14.436   4.615
   34   1H5*    A   4          1H5*        A   4   2.839 -11.490   5.440
   35   2H5*    A   4          2H5*        A   4   3.001  -9.743   5.177
   36    H4*    A   4           H4*        A   4   4.067 -11.174   3.411
   37    H3*    A   4           H3*        A   4   1.791  -9.371   2.511
   38    H2*    A   4           H2*        A   4   2.338 -10.046   0.284
   39   2HO*    A   4          2HO*        A   4   4.664  -9.969   0.816
   40    H1*    A   4           H1*        A   4   2.639 -12.706   0.917
   41    H8     A   4           H8         A   4  -0.317 -11.326   2.880
   42   1H6     A   4          1H6         A   4  -3.668 -12.740  -2.155
   43   2H6     A   4          2H6         A   4  -3.704 -12.284  -0.458
   44    H2     A   4           H2         A   4   0.666 -12.949  -3.267
   45   1H5*    C   5          1H5*        C   5   5.295  -7.997   0.143
   46   2H5*    C   5          2H5*        C   5   5.057  -6.292  -0.295
   47    H4*    C   5           H4*        C   5   5.106  -7.925  -2.241
   48    H3*    C   5           H3*        C   5   2.578  -6.293  -1.838
   49    H2*    C   5           H2*        C   5   1.821  -7.281  -3.905
   50   2HO*    C   5          2HO*        C   5   4.144  -7.147  -4.683
   51    H1*    C   5           H1*        C   5   2.668  -9.826  -3.272
   52   1H4     C   5          1H4         C   5  -3.565  -9.412  -1.975
   53   2H4     C   5          2H4         C   5  -3.248  -8.671  -0.420
   54    H5     C   5           H5         C   5  -0.927  -8.098   0.341
   55    H6     C   5           H6         C   5   1.373  -8.055  -0.324
   56   1H5*    U   6          1H5*        U   6   3.347  -5.744  -5.936
   57   2H5*    U   6          2H5*        U   6   2.957  -4.118  -6.501
   58    H4*    U   6           H4*        U   6   1.656  -5.998  -7.584
   59    H3*    U   6           H3*        U   6   0.117  -3.827  -6.149
   60    H2*    U   6           H2*        U   6  -1.914  -4.921  -6.779
   61   2HO*    U   6          2HO*        U   6  -0.850  -5.437  -8.897
   62    H1*    U   6           H1*        U   6  -1.076  -7.457  -6.239
   63    H3     U   6           H3         U   6  -4.213  -6.342  -3.094
   64    H5     U   6           H5         U   6  -0.482  -5.281  -1.460
   65    H6     U   6           H6         U   6   0.497  -5.581  -3.608
   66   1H5*    C   7          1H5*        C   7  -0.685  -2.966 -10.467
   67   2H5*    C   7          2H5*        C   7  -0.897  -1.241 -10.829
   68    H4*    C   7           H4*        C   7  -3.090  -2.521 -10.464
   69    H3*    C   7           H3*        C   7  -2.395  -0.283  -8.533
   70    H2*    C   7           H2*        C   7  -4.546  -0.606  -7.610
   71   2HO*    C   7          2HO*        C   7  -5.736  -0.642  -9.523
   72    H1*    C   7           H1*        C   7  -4.566  -3.406  -8.154
   73   1H4     C   7          1H4         C   7  -4.282  -3.028  -1.882
   74   2H4     C   7          2H4         C   7  -2.534  -2.848  -1.857
   75    H5     C   7           H5         C   7  -1.237  -2.578  -4.073
   76    H6     C   7           H6         C   7  -1.530  -2.390  -6.444
   77   1H5*    U   8          1H5*        U   8  -6.264   0.240 -11.234
   78   2H5*    U   8          2H5*        U   8  -6.482   1.989 -11.436
   79    H4*    U   8           H4*        U   8  -8.592   0.804 -10.804
   80    H3*    U   8           H3*        U   8  -7.487   2.833  -8.838
   81    H2*    U   8           H2*        U   8  -9.532   2.523  -7.606
   82   2HO*    U   8          2HO*        U   8 -10.709   2.383  -9.706
   83    H1*    U   8           H1*        U   8  -9.577  -0.221  -7.892
   84    H3     U   8           H3         U   8  -8.761   0.359  -3.443
   85    H5     U   8           H5         U   8  -5.032   0.921  -5.320
   86    H6     U   8           H6         U   8  -6.156   0.990  -7.445
   87   1H5*    G   9          1H5*        G   9 -11.620   4.223  -9.642
   88   2H5*    G   9          2H5*        G   9 -11.641   5.987  -9.447
   89    H4*    G   9           H4*        G   9 -13.112   4.748  -7.828
   90    H3*    G   9           H3*        G   9 -10.830   6.359  -6.650
   91    H2*    G   9           H2*        G   9 -11.761   5.790  -4.482
   92   2HO*    G   9          2HO*        G   9 -13.976   5.950  -5.423
   93    H1*    G   9           H1*        G   9 -12.090   3.148  -5.067
   94    H8     G   9           H8         G   9  -8.855   4.450  -6.708
   95    H1     G   9           H1         G   9  -8.330   3.027  -0.464
   96   1H2     G   9          1H2         G   9 -10.403   2.873   0.448
   97   2H2     G   9          2H2         G   9 -11.826   2.858  -0.584
   98   1H5*    G  10          1H5*        G  10 -14.597   7.485  -4.573
   99   2H5*    G  10          2H5*        G  10 -14.502   9.162  -4.016
  100    H4*    G  10           H4*        G  10 -14.875   7.387  -2.220
  101    H3*    G  10           H3*        G  10 -12.516   9.269  -2.008
  102    H2*    G  10           H2*        G  10 -12.072   8.255   0.145
  103   2HO*    G  10          2HO*        G  10 -14.473   8.125   0.481
  104    H1*    G  10           H1*        G  10 -12.464   5.678  -0.696
  105    H8     G  10           H8         G  10 -10.633   7.395  -3.535
  106    H1     G  10           H1         G  10  -6.865   5.941   1.463
  107   1H2     G  10          1H2         G  10  -8.154   5.633   3.311
  108   2H2     G  10          2H2         G  10  -9.908   5.563   3.184
  109   1H5*    U  11          1H5*        U  11 -14.628   9.419   1.901
  110   2H5*    U  11          2H5*        U  11 -14.506  11.062   2.557
  111    H4*    U  11           H4*        U  11 -13.440   9.270   4.020
  112    H3*    U  11           H3*        U  11 -11.616  11.454   3.015
  113    H2*    U  11           H2*        U  11 -10.000  10.427   4.482
  114   2HO*    U  11          2HO*        U  11 -11.612   9.982   6.125
  115    H1*    U  11           H1*        U  11 -10.517   7.881   3.681
  116    H3     U  11           H3         U  11  -6.438   9.173   2.089
  117    H5     U  11           H5         U  11  -9.221  10.539  -0.767
  118    H6     U  11           H6         U  11 -10.978  10.027   0.775
  119   1H5*    A  12          1H5*        A  12 -12.887  12.492   7.319
  120   2H5*    A  12          2H5*        A  12 -12.363  14.103   7.825
  121    H4*    A  12           H4*        A  12 -10.868  12.144   8.500
  122    H3*    A  12           H3*        A  12  -9.689  14.438   6.945
  123    H2*    A  12           H2*        A  12  -7.567  13.407   7.329
  124   2HO*    A  12          2HO*        A  12  -7.953  12.858   9.521
  125    H1*    A  12           H1*        A  12  -8.479  10.822   6.778
  126    H8     A  12           H8         A  12 -10.066  13.205   4.382
  127   1H6     A  12          1H6         A  12  -5.010  12.620   0.879
  128   2H6     A  12          2H6         A  12  -6.695  13.112   0.959
  129    H2     A  12           H2         A  12  -3.974  11.245   5.031
  130   1H5*    U  13          1H5*        U  13  -6.420  15.928  11.194
  131   2H5*    U  13          2H5*        U  13  -6.526  16.519   9.539
  132    H4*    U  13           H4*        U  13  -4.847  14.248  10.627
  133    H3*    U  13           H3*        U  13  -4.579  16.683   8.848
  134    H2*    U  13           H2*        U  13  -2.799  15.755   7.661
  135   2HO*    U  13          2HO*        U  13  -1.763  13.859   8.305
  136    H1*    U  13           H1*        U  13  -3.957  13.287   7.355
  137    H3     U  13           H3         U  13  -4.455  15.134   3.219
  138    H5     U  13           H5         U  13  -7.869  16.183   5.465
  139    H6     U  13           H6         U  13  -6.649  15.627   7.455
  140   1H5*    C  14          1H5*        C  14  -0.920  16.497   9.641
  141   2H5*    C  14          2H5*        C  14  -0.241  18.034  10.211
  142    H4*    C  14           H4*        C  14   0.890  17.460   8.194
  143    H3*    C  14           H3*        C  14  -1.240  19.524   7.539
  144    H2*    C  14           H2*        C  14  -0.066  19.654   5.366
  145   2HO*    C  14          2HO*        C  14   1.955  19.013   6.732
  146    H1*    C  14           H1*        C  14  -0.167  16.949   5.100
  147   1H4     C  14          1H4         C  14  -5.745  18.941   2.713
  148   2H4     C  14          2H4         C  14  -6.470  19.035   4.302
  149    H5     C  14           H5         C  14  -5.152  18.534   6.379
  150    H6     C  14           H6         C  14  -2.981  18.012   7.207
  151   1H5*    A  15          1H5*        A  15  -0.345  22.768   6.068
  152   2H5*    A  15          2H5*        A  15   0.889  21.519   5.777
  153    H4*    A  15           H4*        A  15   0.987  24.500   5.367
  154    H3*    A  15           H3*        A  15   0.610  22.488   3.580
  155    H2*    A  15           H2*        A  15   2.420  21.121   4.223
  156   2HO*    A  15          2HO*        A  15   3.814  21.165   2.526
  157    H1*    A  15           H1*        A  15   4.221  23.511   4.238
  158    H8     A  15           H8         A  15   3.442  20.132   5.896
  159   1H6     A  15          1H6         A  15   8.853  20.739   8.824
  160   2H6     A  15          2H6         A  15   7.454  19.708   8.539
  161    H2     A  15           H2         A  15   8.167  24.453   6.440
  162   1H5*    C  16          1H5*        C  16   0.770  22.174   0.790
  163   2H5*    C  16          2H5*        C  16   0.809  23.628  -0.177
  164    H4*    C  16           H4*        C  16  -0.433  21.988  -1.302
  165    H3*    C  16           H3*        C  16  -1.588  24.435  -1.071
  166    H2*    C  16           H2*        C  16  -2.690  24.107   0.992
  167   2HO*    C  16          2HO*        C  16  -4.270  23.527  -1.228
  168    H1*    C  16           H1*        C  16  -3.729  21.443   0.171
  169   1H4     C  16          1H4         C  16  -4.373  21.896   6.613
  170   2H4     C  16          2H4         C  16  -2.653  21.655   6.833
  171    H5     C  16           H5         C  16  -1.161  21.326   4.855
  172    H6     C  16           H6         C  16  -0.983  21.426   2.495
  173   1H5*    G  17          1H5*        G  17  -0.892  20.928  -4.708
  174   2H5*    G  17          2H5*        G  17  -0.838  20.793  -2.953
  175    H4*    G  17           H4*        G  17   1.521  21.483  -4.781
  176    H3*    G  17           H3*        G  17   0.794  19.007  -3.168
  177    H2*    G  17           H2*        G  17   3.070  18.644  -2.792
  178   2HO*    G  17          2HO*        G  17   3.277  19.234  -5.245
  179    H1*    G  17           H1*        G  17   3.797  21.412  -2.924
  180    H8     G  17           H8         G  17   5.299  20.826  -0.876
  181    H1     G  17           H1         G  17   0.367  18.370   2.415
  182   1H2     G  17          1H2         G  17  -1.426  18.253   1.150
  183   2H2     G  17          2H2         G  17  -1.421  18.835  -0.509
  184   1H5*    G  18          1H5*        G  18   3.145  16.961  -4.513
  185   2H5*    G  18          2H5*        G  18   2.680  15.292  -4.869
  186    H4*    G  18           H4*        G  18   3.968  15.900  -2.639
  187    H3*    G  18           H3*        G  18   1.583  14.043  -2.729
  188    H2*    G  18           H2*        G  18   1.920  13.711  -0.371
  189   2HO*    G  18          2HO*        G  18   4.339  13.863  -0.795
  190    H1*    G  18           H1*        G  18   2.323  16.356   0.227
  191    H8     G  18           H8         G  18  -0.394  16.024  -2.424
  192    H1     G  18           H1         G  18  -2.398  14.611   3.530
  193   1H2     G  18          1H2         G  18  -0.599  14.317   4.866
  194   2H2     G  18          2H2         G  18   1.029  14.627   4.283
  195   1H5*    U  19          1H5*        U  19   4.690  12.112  -0.290
  196   2H5*    U  19          2H5*        U  19   4.603  10.359  -0.457
  197    H4*    U  19           H4*        U  19   4.267  11.320   1.877
  198    H3*    U  19           H3*        U  19   2.130   9.480   0.747
  199    H2*    U  19           H2*        U  19   1.150   9.594   2.952
  200   2HO*    U  19          2HO*        U  19   3.268   9.577   3.983
  201    H1*    U  19           H1*        U  19   1.372  12.290   3.186
  202    H3     U  19           H3         U  19  -3.102  11.614   2.352
  203    H5     U  19           H5         U  19  -1.246  11.777  -1.421
  204    H6     U  19           H6         U  19   0.870  11.645  -0.346
  205   1H5*    A  20          1H5*        A  20   3.784   7.567   4.345
  206   2H5*    A  20          2H5*        A  20   3.618   5.803   4.263
  207    H4*    A  20           H4*        A  20   2.364   6.889   6.126
  208    H3*    A  20           H3*        A  20   0.610   5.400   4.105
  209    H2*    A  20           H2*        A  20  -1.168   5.903   5.582
  210   2HO*    A  20          2HO*        A  20   0.430   5.804   7.478
  211    H1*    A  20           H1*        A  20  -0.674   8.395   5.855
  212    H8     A  20           H8         A  20   0.540   7.633   2.271
  213   1H6     A  20          1H6         A  20  -5.151   8.951   0.406
  214   2H6     A  20          2H6         A  20  -3.501   8.568  -0.019
  215    H2     A  20           H2         A  20  -5.234   8.603   4.928
  216   1H5*    C  21          1H5*        C  21  -0.876   4.553   7.702
  217   2H5*    C  21          2H5*        C  21  -1.242   2.923   7.982
  218    H4*    C  21           H4*        C  21  -3.210   4.319   8.282
  219    H3*    C  21           H3*        C  21  -3.476   2.527   5.828
  220    H2*    C  21           H2*        C  21  -5.704   3.407   5.667
  221   2HO*    C  21          2HO*        C  21  -5.842   3.454   8.077
  222    H1*    C  21           H1*        C  21  -4.930   6.002   5.976
  223   1H4     C  21          1H4         C  21  -4.819   5.542  -0.260
  224   2H4     C  21          2H4         C  21  -3.119   5.111  -0.264
  225    H5     C  21           H5         C  21  -1.896   4.583   1.884
  226    H6     C  21           H6         C  21  -2.114   4.492   4.260
  227   1H5*    C  22          1H5*        C  22  -6.948   1.834   8.295
  228   2H5*    C  22          2H5*        C  22  -7.504   0.152   8.167
  229    H4*    C  22           H4*        C  22  -9.161   1.896   7.348
  230    H3*    C  22           H3*        C  22  -8.152  -0.202   5.398
  231    H2*    C  22           H2*        C  22  -9.648   0.718   3.793
  232   2HO*    C  22          2HO*        C  22 -11.209   1.064   5.672
  233    H1*    C  22           H1*        C  22  -9.152   3.357   4.426
  234   1H4     C  22          1H4         C  22  -5.772   2.472  -0.799
  235   2H4     C  22          2H4         C  22  -4.374   1.926   0.103
  236    H5     C  22           H5         C  22  -4.470   1.595   2.611
  237    H6     C  22           H6         C  22  -5.898   1.682   4.522
  238   1H5*    U  23          1H5*        U  23 -12.332  -0.334   4.661
  239   2H5*    U  23          2H5*        U  23 -12.806  -2.017   4.380
  240    H4*    U  23           H4*        U  23 -13.189  -0.524   2.416
  241    H3*    U  23           H3*        U  23 -11.167  -2.752   2.042
  242    H2*    U  23           H2*        U  23 -11.143  -2.108  -0.300
  243   2HO*    U  23          2HO*        U  23 -13.449  -1.704  -0.339
  244    H1*    U  23           H1*        U  23 -11.064   0.576   0.216
  245    H3     U  23           H3         U  23  -6.947  -0.284  -1.448
  246    H5     U  23           H5         U  23  -6.771  -1.706   2.515
  247    H6     U  23           H6         U  23  -9.135  -1.314   2.708
  248   1H5*    U  24          1H5*        U  24 -14.401  -2.969  -1.065
  249   2H5*    U  24          2H5*        U  24 -14.587  -4.643  -1.606
  250    H4*    U  24           H4*        U  24 -14.027  -2.976  -3.431
  251    H3*    U  24           H3*        U  24 -12.109  -5.273  -2.940
  252    H2*    U  24           H2*        U  24 -11.010  -4.539  -4.976
  253   2HO*    U  24          2HO*        U  24 -13.216  -3.993  -5.858
  254    H1*    U  24           H1*        U  24 -11.111  -1.867  -4.307
  255    H3     U  24           H3         U  24  -6.697  -2.882  -3.989
  256    H5     U  24           H5         U  24  -8.361  -4.528  -0.511
  257    H6     U  24           H6         U  24 -10.573  -4.076  -1.392
  258   1H5*    U  25          1H5*        U  25 -13.119  -5.393  -7.140
  259   2H5*    U  25          2H5*        U  25 -13.185  -7.076  -7.681
  260    H4*    U  25           H4*        U  25 -11.531  -5.698  -8.932
  261    H3*    U  25           H3*        U  25 -10.371  -7.982  -7.286
  262    H2*    U  25           H2*        U  25  -8.311  -7.508  -8.375
  263   2HO*    U  25          2HO*        U  25  -9.563  -7.054 -10.402
  264    H1*    U  25           H1*        U  25  -8.534  -4.776  -8.096
  265    H3     U  25           H3         U  25  -5.197  -6.017  -5.230
  266    H5     U  25           H5         U  25  -8.730  -6.866  -3.149
  267    H6     U  25           H6         U  25  -9.982  -6.447  -5.171
  268   1H5*    G  26          1H5*        G  26  -9.244  -8.929 -11.278
  269   2H5*    G  26          2H5*        G  26  -9.219 -10.689 -11.512
  270    H4*    G  26           H4*        G  26  -6.984  -9.572 -11.791
  271    H3*    G  26           H3*        G  26  -7.243 -11.562  -9.512
  272    H2*    G  26           H2*        G  26  -4.844 -11.298  -9.252
  273   2HO*    G  26          2HO*        G  26  -4.655 -11.137 -11.655
  274    H1*    G  26           H1*        G  26  -4.949  -8.542  -9.470
  275    H8     G  26           H8         G  26  -7.959  -9.455  -7.396
  276    H1     G  26           H1         G  26  -2.387  -9.940  -4.211
  277   1H2     G  26          1H2         G  26  -0.663 -10.010  -5.725
  278   2H2     G  26          2H2         G  26  -0.983  -9.814  -7.442
  279   1H5*    U  27          1H5*        U  27  -3.851 -12.800 -12.075
  280   2H5*    U  27          2H5*        U  27  -3.773 -14.569 -12.117
  281    H4*    U  27           H4*        U  27  -1.658 -13.473 -11.363
  282    H3*    U  27           H3*        U  27  -3.025 -15.239  -9.298
  283    H2*    U  27           H2*        U  27  -0.997 -14.984  -8.052
  284   2HO*    U  27          2HO*        U  27   0.375 -15.053  -9.944
  285    H1*    U  27           H1*        U  27  -0.892 -12.278  -8.425
  286    H3     U  27           H3         U  27  -2.056 -13.100  -4.057
  287    H5     U  27           H5         U  27  -5.662 -13.330  -6.211
  288    H6     U  27           H6         U  27  -4.403 -13.230  -8.255
  289   1H5*    G  28          1H5*        G  28   0.991 -16.979 -10.104
  290   2H5*    G  28          2H5*        G  28   1.024 -18.684  -9.616
  291    H4*    G  28           H4*        G  28   2.583 -17.067  -8.390
  292    H3*    G  28           H3*        G  28   0.742 -18.763  -6.731
  293    H2*    G  28           H2*        G  28   1.908 -17.792  -4.829
  294   2HO*    G  28          2HO*        G  28   3.671 -16.476  -5.060
  295    H1*    G  28           H1*        G  28   1.632 -15.233  -5.721
  296    H8     G  28           H8         G  28  -1.550 -16.753  -6.958
  297    H1     G  28           H1         G  28  -1.517 -15.878  -0.597
  298   1H2     G  28          1H2         G  28   0.630 -15.659   0.136
  299   2H2     G  28          2H2         G  28   1.963 -15.599  -1.006
  300   1H5*    U  29          1H5*        U  29   4.467 -19.200  -5.136
  301   2H5*    U  29          2H5*        U  29   4.912 -20.869  -4.745
  302    H4*    U  29           H4*        U  29   5.007 -19.449  -2.760
  303    H3*    U  29           H3*        U  29   2.771 -21.504  -2.710
  304    H2*    U  29           H2*        U  29   2.366 -20.855  -0.463
  305   2HO*    U  29          2HO*        U  29   4.765 -20.520  -0.186
  306    H1*    U  29           H1*        U  29   2.421 -18.179  -0.975
  307    H3     U  29           H3         U  29  -2.080 -19.265  -0.556
  308    H5     U  29           H5         U  29  -1.087 -19.693  -4.616
  309    H6     U  29           H6         U  29   1.180 -19.524  -4.056
  310   1H5*    C  30          1H5*        C  30   5.234 -22.227   0.602
  311   2H5*    C  30          2H5*        C  30   5.380 -23.954   0.966
  312    H4*    C  30           H4*        C  30   4.409 -22.612   2.829
  313    H3*    C  30           H3*        C  30   2.575 -24.673   1.535
  314    H2*    C  30           H2*        C  30   0.981 -24.181   3.227
  315   2HO*    C  30          2HO*        C  30   1.565 -22.977   5.083
  316    H1*    C  30           H1*        C  30   1.571 -21.424   3.307
  317   1H4     C  30          1H4         C  30  -3.916 -21.840   0.208
  318   2H4     C  30          2H4         C  30  -3.125 -22.169  -1.322
  319    H5     C  30           H5         C  30  -0.645 -22.728  -1.407
  320    H6     C  30           H6         C  30   1.366 -22.814  -0.093
  321    H3T    C  30           HE         C  30   3.671 -24.757   4.102
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1 -11.067 -22.054   7.548
    2   2H5*    G   1          2H5*        G   1 -10.840 -20.302   7.394
    3    H4*    G   1           H4*        G   1  -8.983 -21.489   8.593
    4    H3*    G   1           H3*        G   1  -8.227 -20.104   5.999
    5    H2*    G   1           H2*        G   1  -5.938 -20.496   6.751
    6   2HO*    G   1          2HO*        G   1  -6.473 -20.142   9.009
    7    H1*    G   1           H1*        G   1  -6.430 -23.114   7.316
    8    H8     G   1           H8         G   1  -8.561 -22.411   4.282
    9    H1     G   1           H1         G   1  -2.292 -22.204   2.896
   10   1H2     G   1          1H2         G   1  -1.088 -22.264   4.828
   11   2H2     G   1          2H2         G   1  -1.879 -22.480   6.384
   12   1H5*    G   2          1H5*        G   2  -5.914 -18.411   9.336
   13   2H5*    G   2          2H5*        G   2  -5.445 -16.747   8.994
   14    H4*    G   2           H4*        G   2  -3.598 -18.494   9.526
   15    H3*    G   2           H3*        G   2  -3.358 -16.685   7.138
   16    H2*    G   2           H2*        G   2  -1.249 -17.704   6.660
   17   2HO*    G   2          2HO*        G   2  -0.898 -17.946   9.041
   18    H1*    G   2           H1*        G   2  -2.161 -20.248   6.869
   19    H8     G   2           H8         G   2  -5.271 -19.061   5.401
   20    H1     G   2           H1         G   2  -0.426 -18.377   1.251
   21   1H2     G   2          1H2         G   2   1.525 -18.415   2.340
   22   2H2     G   2          2H2         G   2   1.599 -18.592   4.090
   23   1H5*    C   3          1H5*        C   3  -2.594 -12.603   7.845
   24   2H5*    C   3          2H5*        C   3  -3.400 -13.286   6.441
   25    H4*    C   3           H4*        C   3  -0.707 -14.142   7.613
   26    H3*    C   3           H3*        C   3  -1.681 -12.649   5.166
   27    H2*    C   3           H2*        C   3   0.231 -13.417   3.956
   28   2HO*    C   3          2HO*        C   3   1.468 -13.306   6.091
   29    H1*    C   3           H1*        C   3  -0.099 -16.005   4.697
   30   1H4     C   3          1H4         C   3  -3.872 -15.613  -0.427
   31   2H4     C   3          2H4         C   3  -5.242 -15.333   0.617
   32    H5     C   3           H5         C   3  -5.021 -15.006   3.063
   33    H6     C   3           H6         C   3  -3.454 -14.900   4.884
   34   1H5*    A   4          1H5*        A   4   2.309 -11.405   5.450
   35   2H5*    A   4          2H5*        A   4   2.497  -9.664   5.151
   36    H4*    A   4           H4*        A   4   3.716 -11.096   3.504
   37    H3*    A   4           H3*        A   4   1.461  -9.368   2.445
   38    H2*    A   4           H2*        A   4   2.055 -10.104   0.251
   39   2HO*    A   4          2HO*        A   4   4.381 -10.008   0.899
   40    H1*    A   4           H1*        A   4   2.358 -12.737   0.923
   41    H8     A   4           H8         A   4  -0.619 -11.511   2.922
   42   1H6     A   4          1H6         A   4  -3.959 -12.887  -2.103
   43   2H6     A   4          2H6         A   4  -3.977 -12.507  -0.388
   44    H2     A   4           H2         A   4   0.368 -12.806  -3.300
   45   1H5*    C   5          1H5*        C   5   4.918  -8.134   0.036
   46   2H5*    C   5          2H5*        C   5   4.733  -6.428  -0.419
   47    H4*    C   5           H4*        C   5   4.708  -8.061  -2.352
   48    H3*    C   5           H3*        C   5   2.204  -6.394  -1.924
   49    H2*    C   5           H2*        C   5   1.418  -7.379  -3.977
   50   2HO*    C   5          2HO*        C   5   3.728  -7.288  -4.786
   51    H1*    C   5           H1*        C   5   2.221  -9.930  -3.341
   52   1H4     C   5          1H4         C   5  -3.974  -9.398  -1.973
   53   2H4     C   5          2H4         C   5  -3.637  -8.686  -0.409
   54    H5     C   5           H5         C   5  -1.285  -8.197   0.347
   55    H6     C   5           H6         C   5   1.009  -8.190  -0.349
   56   1H5*    U   6          1H5*        U   6   2.900  -5.942  -6.041
   57   2H5*    U   6          2H5*        U   6   2.518  -4.325  -6.629
   58    H4*    U   6           H4*        U   6   1.183  -6.222  -7.653
   59    H3*    U   6           H3*        U   6  -0.306  -3.989  -6.264
   60    H2*    U   6           H2*        U   6  -2.363  -5.069  -6.836
   61   2HO*    U   6          2HO*        U   6  -1.347  -5.665  -8.952
   62    H1*    U   6           H1*        U   6  -1.553  -7.599  -6.237
   63    H3     U   6           H3         U   6  -4.675  -6.331  -3.130
   64    H5     U   6           H5         U   6  -0.918  -5.317  -1.521
   65    H6     U   6           H6         U   6   0.058  -5.694  -3.659
   66   1H5*    C   7          1H5*        C   7  -1.103  -3.247 -10.619
   67   2H5*    C   7          2H5*        C   7  -1.280  -1.534 -11.044
   68    H4*    C   7           H4*        C   7  -3.496  -2.718 -10.602
   69    H3*    C   7           H3*        C   7  -2.696  -0.477  -8.715
   70    H2*    C   7           H2*        C   7  -4.844  -0.705  -7.757
   71   2HO*    C   7          2HO*        C   7  -6.044  -0.727  -9.675
   72    H1*    C   7           H1*        C   7  -4.969  -3.514  -8.262
   73   1H4     C   7          1H4         C   7  -4.674  -3.005  -2.006
   74   2H4     C   7          2H4         C   7  -2.922  -2.856  -1.976
   75    H5     C   7           H5         C   7  -1.614  -2.665  -4.198
   76    H6     C   7           H6         C   7  -1.901  -2.523  -6.574
   77   1H5*    U   8          1H5*        U   8  -6.577   0.162 -11.372
   78   2H5*    U   8          2H5*        U   8  -6.702   1.915 -11.606
   79    H4*    U   8           H4*        U   8  -8.870   0.874 -10.957
   80    H3*    U   8           H3*        U   8  -7.647   2.836  -8.989
   81    H2*    U   8           H2*        U   8  -9.729   2.668  -7.786
   82   2HO*    U   8          2HO*        U   8 -10.885   2.592  -9.896
   83    H1*    U   8           H1*        U   8  -9.935  -0.071  -8.061
   84    H3     U   8           H3         U   8  -9.171   0.585  -3.602
   85    H5     U   8           H5         U   8  -5.376   0.815  -5.416
   86    H6     U   8           H6         U   8  -6.449   0.879  -7.568
   87   1H5*    G   9          1H5*        G   9 -11.673   4.465  -9.889
   88   2H5*    G   9          2H5*        G   9 -11.610   6.227  -9.695
   89    H4*    G   9           H4*        G   9 -13.196   5.054  -8.128
   90    H3*    G   9           H3*        G   9 -10.895   6.580  -6.877
   91    H2*    G   9           H2*        G   9 -11.934   6.070  -4.739
   92   2HO*    G   9          2HO*        G   9 -14.101   6.314  -5.756
   93    H1*    G   9           H1*        G   9 -12.345   3.437  -5.322
   94    H8     G   9           H8         G   9  -8.995   4.544  -6.852
   95    H1     G   9           H1         G   9  -8.797   3.321  -0.546
   96   1H2     G   9          1H2         G   9 -10.918   3.273   0.276
   97   2H2     G   9          2H2         G   9 -12.288   3.288  -0.826
   98   1H5*    G  10          1H5*        G  10 -14.709   7.878  -4.978
   99   2H5*    G  10          2H5*        G  10 -14.579   9.564  -4.458
  100    H4*    G  10           H4*        G  10 -15.108   7.854  -2.638
  101    H3*    G  10           H3*        G  10 -12.687   9.649  -2.360
  102    H2*    G  10           H2*        G  10 -12.395   8.686  -0.155
  103   2HO*    G  10          2HO*        G  10 -14.830   8.642   0.025
  104    H1*    G  10           H1*        G  10 -12.835   6.105  -0.952
  105    H8     G  10           H8         G  10 -10.796   7.647  -3.743
  106    H1     G  10           H1         G  10  -7.364   6.187   1.493
  107   1H2     G  10          1H2         G  10  -8.765   5.989   3.276
  108   2H2     G  10          2H2         G  10 -10.512   6.005   3.053
  109   1H5*    U  11          1H5*        U  11 -14.889   9.985   1.457
  110   2H5*    U  11          2H5*        U  11 -14.747  11.650   2.046
  111    H4*    U  11           H4*        U  11 -13.802   9.917   3.634
  112    H3*    U  11           H3*        U  11 -11.846  11.962   2.583
  113    H2*    U  11           H2*        U  11 -10.338  10.967   4.177
  114   2HO*    U  11          2HO*        U  11 -11.982  10.700   5.799
  115    H1*    U  11           H1*        U  11 -10.951   8.392   3.525
  116    H3     U  11           H3         U  11  -6.737   9.394   2.081
  117    H5     U  11           H5         U  11  -9.304  10.773  -0.972
  118    H6     U  11           H6         U  11 -11.160  10.400   0.490
  119   1H5*    A  12          1H5*        A  12 -13.226  13.355   6.776
  120   2H5*    A  12          2H5*        A  12 -12.619  14.965   7.190
  121    H4*    A  12           H4*        A  12 -11.314  12.950   8.090
  122    H3*    A  12           H3*        A  12  -9.891  15.079   6.509
  123    H2*    A  12           H2*        A  12  -7.868  13.921   7.042
  124   2HO*    A  12          2HO*        A  12  -8.402  13.496   9.231
  125    H1*    A  12           H1*        A  12  -8.908  11.381   6.553
  126    H8     A  12           H8         A  12 -10.240  13.755   3.988
  127   1H6     A  12          1H6         A  12  -5.069  12.715   0.771
  128   2H6     A  12          2H6         A  12  -6.716  13.327   0.742
  129    H2     A  12           H2         A  12  -4.339  11.416   5.004
  130   1H5*    U  13          1H5*        U  13  -6.733  16.449  10.921
  131   2H5*    U  13          2H5*        U  13  -6.689  17.011   9.253
  132    H4*    U  13           H4*        U  13  -5.275  14.644  10.490
  133    H3*    U  13           H3*        U  13  -4.670  17.002   8.692
  134    H2*    U  13           H2*        U  13  -2.940  15.859   7.577
  135   2HO*    U  13          2HO*        U  13  -2.471  14.814   9.809
  136    H1*    U  13           H1*        U  13  -4.300  13.503   7.276
  137    H3     U  13           H3         U  13  -4.562  15.195   3.074
  138    H5     U  13           H5         U  13  -7.870  16.727   5.195
  139    H6     U  13           H6         U  13  -6.764  16.119   7.235
  140   1H5*    C  14          1H5*        C  14  -1.026  16.513   9.577
  141   2H5*    C  14          2H5*        C  14  -0.266  18.006  10.163
  142    H4*    C  14           H4*        C  14   0.872  17.367   8.163
  143    H3*    C  14           H3*        C  14  -1.096  19.555   7.466
  144    H2*    C  14           H2*        C  14   0.086  19.572   5.309
  145   2HO*    C  14          2HO*        C  14   1.872  18.232   4.966
  146    H1*    C  14           H1*        C  14  -0.183  16.878   5.065
  147   1H4     C  14          1H4         C  14  -5.555  19.258   2.577
  148   2H4     C  14          2H4         C  14  -6.309  19.364   4.153
  149    H5     C  14           H5         C  14  -5.058  18.803   6.249
  150    H6     C  14           H6         C  14  -2.936  18.143   7.115
  151   1H5*    A  15          1H5*        A  15   0.389  22.844   6.125
  152   2H5*    A  15          2H5*        A  15   1.322  21.339   5.966
  153    H4*    A  15           H4*        A  15   2.124  24.184   5.476
  154    H3*    A  15           H3*        A  15   1.511  22.137   3.789
  155    H2*    A  15           H2*        A  15   2.924  20.500   4.671
  156   2HO*    A  15          2HO*        A  15   4.370  20.141   3.086
  157    H1*    A  15           H1*        A  15   5.185  22.427   4.851
  158    H8     A  15           H8         A  15   3.159  20.024   7.112
  159   1H6     A  15          1H6         A  15   8.689  18.044   9.085
  160   2H6     A  15          2H6         A  15   6.943  17.848   9.205
  161    H2     A  15           H2         A  15   9.373  21.294   6.098
  162   1H5*    C  16          1H5*        C  16   1.992  21.718   0.685
  163   2H5*    C  16          2H5*        C  16   1.979  23.181  -0.272
  164    H4*    C  16           H4*        C  16   0.596  21.432  -1.186
  165    H3*    C  16           H3*        C  16  -0.204  24.070  -1.128
  166    H2*    C  16           H2*        C  16  -1.346  23.957   0.968
  167   2HO*    C  16          2HO*        C  16  -3.023  23.515  -1.229
  168    H1*    C  16           H1*        C  16  -2.680  21.381   0.124
  169   1H4     C  16          1H4         C  16  -4.012  22.066   6.430
  170   2H4     C  16          2H4         C  16  -2.315  21.846   6.830
  171    H5     C  16           H5         C  16  -0.614  21.486   5.055
  172    H6     C  16           H6         C  16  -0.189  21.447   2.731
  173   1H5*    G  17          1H5*        G  17   1.653  22.143  -4.853
  174   2H5*    G  17          2H5*        G  17   0.825  20.570  -4.967
  175    H4*    G  17           H4*        G  17   3.430  20.788  -4.625
  176    H3*    G  17           H3*        G  17   1.714  18.746  -3.180
  177    H2*    G  17           H2*        G  17   3.816  17.861  -2.463
  178   2HO*    G  17          2HO*        G  17   4.533  18.275  -4.814
  179    H1*    G  17           H1*        G  17   5.091  20.416  -2.433
  180    H8     G  17           H8         G  17   6.104  19.707  -0.180
  181    H1     G  17           H1         G  17   0.407  18.138   2.304
  182   1H2     G  17          1H2         G  17  -1.149  18.066   0.689
  183   2H2     G  17          2H2         G  17  -0.765  18.547  -0.953
  184   1H5*    G  18          1H5*        G  18   3.874  16.238  -4.160
  185   2H5*    G  18          2H5*        G  18   3.194  14.673  -4.567
  186    H4*    G  18           H4*        G  18   4.345  15.185  -2.206
  187    H3*    G  18           H3*        G  18   1.841  13.512  -2.511
  188    H2*    G  18           H2*        G  18   1.995  13.167  -0.122
  189   2HO*    G  18          2HO*        G  18   4.443  13.176  -0.395
  190    H1*    G  18           H1*        G  18   2.526  15.782   0.486
  191    H8     G  18           H8         G  18  -0.028  15.553  -2.359
  192    H1     G  18           H1         G  18  -2.474  14.620   3.526
  193   1H2     G  18          1H2         G  18  -0.793  14.276   4.988
  194   2H2     G  18          2H2         G  18   0.886  14.414   4.496
  195   1H5*    U  19          1H5*        U  19   4.642  11.438   0.183
  196   2H5*    U  19          2H5*        U  19   4.427   9.693   0.084
  197    H4*    U  19           H4*        U  19   4.045  10.794   2.349
  198    H3*    U  19           H3*        U  19   1.857   9.039   1.183
  199    H2*    U  19           H2*        U  19   0.776   9.313   3.332
  200   2HO*    U  19          2HO*        U  19   2.834   9.218   4.473
  201    H1*    U  19           H1*        U  19   1.153  11.996   3.461
  202    H3     U  19           H3         U  19  -3.296  11.662   2.412
  203    H5     U  19           H5         U  19  -1.252  11.432  -1.256
  204    H6     U  19           H6         U  19   0.789  11.159  -0.060
  205   1H5*    A  20          1H5*        A  20   3.228   7.197   4.908
  206   2H5*    A  20          2H5*        A  20   2.970   5.442   4.903
  207    H4*    A  20           H4*        A  20   1.677   6.658   6.644
  208    H3*    A  20           H3*        A  20  -0.056   5.224   4.563
  209    H2*    A  20           H2*        A  20  -1.873   5.869   5.912
  210   2HO*    A  20          2HO*        A  20  -0.378   5.729   7.900
  211    H1*    A  20           H1*        A  20  -1.237   8.337   6.171
  212    H8     A  20           H8         A  20   0.087   7.345   2.683
  213   1H6     A  20          1H6         A  20  -5.385   9.081   0.503
  214   2H6     A  20          2H6         A  20  -3.756   8.553   0.165
  215    H2     A  20           H2         A  20  -5.700   8.872   5.024
  216   1H5*    C  21          1H5*        C  21  -1.798   4.554   8.067
  217   2H5*    C  21          2H5*        C  21  -2.284   2.948   8.329
  218    H4*    C  21           H4*        C  21  -4.172   4.478   8.494
  219    H3*    C  21           H3*        C  21  -4.384   2.646   6.065
  220    H2*    C  21           H2*        C  21  -6.539   3.637   5.734
  221   2HO*    C  21          2HO*        C  21  -6.824   3.739   8.136
  222    H1*    C  21           H1*        C  21  -5.654   6.202   6.068
  223   1H4     C  21          1H4         C  21  -5.213   5.682  -0.140
  224   2H4     C  21          2H4         C  21  -3.543   5.151  -0.046
  225    H5     C  21           H5         C  21  -2.482   4.553   2.171
  226    H6     C  21           H6         C  21  -2.840   4.504   4.533
  227   1H5*    C  22          1H5*        C  22  -8.024   2.122   8.300
  228   2H5*    C  22          2H5*        C  22  -8.629   0.458   8.157
  229    H4*    C  22           H4*        C  22 -10.161   2.229   7.192
  230    H3*    C  22           H3*        C  22  -9.060   0.107   5.318
  231    H2*    C  22           H2*        C  22 -10.434   1.067   3.622
  232   2HO*    C  22          2HO*        C  22 -12.104   1.446   5.395
  233    H1*    C  22           H1*        C  22  -9.908   3.691   4.307
  234   1H4     C  22          1H4         C  22  -6.275   2.668  -0.727
  235   2H4     C  22          2H4         C  22  -4.972   2.001   0.231
  236    H5     C  22           H5         C  22  -5.204   1.714   2.748
  237    H6     C  22           H6         C  22  -6.729   1.882   4.582
  238   1H5*    U  23          1H5*        U  23 -13.165   0.089   4.311
  239   2H5*    U  23          2H5*        U  23 -13.678  -1.576   4.000
  240    H4*    U  23           H4*        U  23 -13.905  -0.083   2.022
  241    H3*    U  23           H3*        U  23 -11.916  -2.358   1.760
  242    H2*    U  23           H2*        U  23 -11.766  -1.728  -0.583
  243   2HO*    U  23          2HO*        U  23 -14.108  -1.244  -0.616
  244    H1*    U  23           H1*        U  23 -11.650   0.958  -0.066
  245    H3     U  23           H3         U  23  -7.480  -0.005  -1.525
  246    H5     U  23           H5         U  23  -7.530  -1.411   2.449
  247    H6     U  23           H6         U  23  -9.891  -0.961   2.525
  248   1H5*    U  24          1H5*        U  24 -14.917  -2.522  -1.520
  249   2H5*    U  24          2H5*        U  24 -15.150  -4.200  -2.029
  250    H4*    U  24           H4*        U  24 -14.414  -2.619  -3.860
  251    H3*    U  24           H3*        U  24 -12.610  -4.965  -3.188
  252    H2*    U  24           H2*        U  24 -11.392  -4.350  -5.194
  253   2HO*    U  24          2HO*        U  24 -13.537  -3.782  -6.202
  254    H1*    U  24           H1*        U  24 -11.465  -1.637  -4.631
  255    H3     U  24           H3         U  24  -7.089  -2.754  -4.162
  256    H5     U  24           H5         U  24  -8.880  -4.218  -0.669
  257    H6     U  24           H6         U  24 -11.063  -3.739  -1.621
  258   1H5*    U  25          1H5*        U  25 -13.475  -5.288  -7.409
  259   2H5*    U  25          2H5*        U  25 -13.607  -6.998  -7.849
  260    H4*    U  25           H4*        U  25 -11.855  -5.794  -9.128
  261    H3*    U  25           H3*        U  25 -10.821  -7.990  -7.284
  262    H2*    U  25           H2*        U  25  -8.726  -7.663  -8.370
  263   2HO*    U  25          2HO*        U  25  -9.888  -7.323 -10.453
  264    H1*    U  25           H1*        U  25  -8.859  -4.916  -8.276
  265    H3     U  25           H3         U  25  -5.645  -6.036  -5.224
  266    H5     U  25           H5         U  25  -9.258  -6.678  -3.210
  267    H6     U  25           H6         U  25 -10.439  -6.346  -5.290
  268   1H5*    G  26          1H5*        G  26  -9.781  -9.269 -11.227
  269   2H5*    G  26          2H5*        G  26  -9.772 -11.041 -11.340
  270    H4*    G  26           H4*        G  26  -7.540  -9.942 -11.732
  271    H3*    G  26           H3*        G  26  -7.760 -11.810  -9.350
  272    H2*    G  26           H2*        G  26  -5.357 -11.533  -9.141
  273   2HO*    G  26          2HO*        G  26  -5.187 -11.504 -11.542
  274    H1*    G  26           H1*        G  26  -5.451  -8.802  -9.503
  275    H8     G  26           H8         G  26  -8.438  -9.562  -7.325
  276    H1     G  26           H1         G  26  -2.798  -9.981  -4.246
  277   1H2     G  26          1H2         G  26  -1.104 -10.078  -5.800
  278   2H2     G  26          2H2         G  26  -1.464  -9.915  -7.511
  279   1H5*    U  27          1H5*        U  27  -4.417 -13.156 -11.989
  280   2H5*    U  27          2H5*        U  27  -4.251 -14.915 -11.889
  281    H4*    U  27           H4*        U  27  -2.182 -13.596 -11.317
  282    H3*    U  27           H3*        U  27  -3.274 -15.402  -9.125
  283    H2*    U  27           H2*        U  27  -1.256 -14.903  -7.984
  284   2HO*    U  27          2HO*        U  27  -0.005 -14.884 -10.011
  285    H1*    U  27           H1*        U  27  -1.416 -12.222  -8.413
  286    H3     U  27           H3         U  27  -2.412 -13.129  -4.006
  287    H5     U  27           H5         U  27  -6.045 -13.527  -6.098
  288    H6     U  27           H6         U  27  -4.818 -13.417  -8.155
  289   1H5*    G  28          1H5*        G  28   0.877 -16.604 -10.014
  290   2H5*    G  28          2H5*        G  28   1.192 -18.267  -9.497
  291    H4*    G  28           H4*        G  28   2.510 -16.361  -8.383
  292    H3*    G  28           H3*        G  28   1.128 -18.399  -6.657
  293    H2*    G  28           H2*        G  28   2.152 -17.224  -4.779
  294   2HO*    G  28          2HO*        G  28   4.063 -16.812  -6.289
  295    H1*    G  28           H1*        G  28   1.400 -14.743  -5.625
  296    H8     G  28           H8         G  28  -1.537 -16.648  -6.803
  297    H1     G  28           H1         G  28  -1.533 -15.993  -0.421
  298   1H2     G  28          1H2         G  28   0.533 -15.505   0.324
  299   2H2     G  28          2H2         G  28   1.866 -15.275  -0.781
  300   1H5*    U  29          1H5*        U  29   5.048 -18.270  -5.282
  301   2H5*    U  29          2H5*        U  29   5.718 -19.873  -4.930
  302    H4*    U  29           H4*        U  29   5.662 -18.433  -2.936
  303    H3*    U  29           H3*        U  29   3.773 -20.817  -2.818
  304    H2*    U  29           H2*        U  29   3.359 -20.220  -0.556
  305   2HO*    U  29          2HO*        U  29   5.716 -19.501  -0.444
  306    H1*    U  29           H1*        U  29   3.011 -17.562  -1.079
  307    H3     U  29           H3         U  29  -1.243 -19.190  -0.380
  308    H5     U  29           H5         U  29  -0.464 -19.607  -4.488
  309    H6     U  29           H6         U  29   1.804 -19.130  -4.084
  310   1H5*    C  30          1H5*        C  30   6.257 -21.080   0.514
  311   2H5*    C  30          2H5*        C  30   6.721 -22.754   0.864
  312    H4*    C  30           H4*        C  30   5.519 -21.639   2.736
  313    H3*    C  30           H3*        C  30   4.115 -23.994   1.409
  314    H2*    C  30           H2*        C  30   2.449 -23.841   3.092
  315   2HO*    C  30          2HO*        C  30   2.786 -22.587   4.976
  316    H1*    C  30           H1*        C  30   2.529 -21.023   3.249
  317   1H4     C  30          1H4         C  30  -2.864 -22.039   0.218
  318   2H4     C  30          2H4         C  30  -2.063 -22.099  -1.339
  319    H5     C  30           H5         C  30   0.474 -22.323  -1.496
  320    H6     C  30           H6         C  30   2.499 -22.213  -0.209
  321    H3T    C  30           HE         C  30   5.195 -23.916   3.980
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1 -11.780 -21.977   7.046
    2   2H5*    G   1          2H5*        G   1 -11.395 -20.246   7.003
    3    H4*    G   1           H4*        G   1  -9.654 -21.668   8.120
    4    H3*    G   1           H3*        G   1  -8.772 -20.200   5.614
    5    H2*    G   1           H2*        G   1  -6.529 -20.839   6.333
    6   2HO*    G   1          2HO*        G   1  -7.047 -20.575   8.612
    7    H1*    G   1           H1*        G   1  -7.257 -23.431   6.743
    8    H8     G   1           H8         G   1  -9.290 -22.335   3.750
    9    H1     G   1           H1         G   1  -3.019 -22.653   2.403
   10   1H2     G   1          1H2         G   1  -1.845 -22.950   4.331
   11   2H2     G   1          2H2         G   1  -2.667 -23.193   5.868
   12   1H5*    G   2          1H5*        G   2  -6.305 -18.922   9.015
   13   2H5*    G   2          2H5*        G   2  -5.695 -17.288   8.766
   14    H4*    G   2           H4*        G   2  -4.003 -19.215   9.175
   15    H3*    G   2           H3*        G   2  -3.627 -17.300   6.889
   16    H2*    G   2           H2*        G   2  -1.616 -18.455   6.330
   17   2HO*    G   2          2HO*        G   2  -1.257 -18.865   8.686
   18    H1*    G   2           H1*        G   2  -2.736 -20.927   6.410
   19    H8     G   2           H8         G   2  -5.744 -19.402   5.040
   20    H1     G   2           H1         G   2  -0.871 -18.931   0.892
   21   1H2     G   2          1H2         G   2   1.069 -19.233   1.953
   22   2H2     G   2          2H2         G   2   1.136 -19.515   3.691
   23   1H5*    C   3          1H5*        C   3  -2.671 -13.325   7.818
   24   2H5*    C   3          2H5*        C   3  -3.525 -13.912   6.398
   25    H4*    C   3           H4*        C   3  -0.852 -14.930   7.483
   26    H3*    C   3           H3*        C   3  -1.788 -13.262   5.133
   27    H2*    C   3           H2*        C   3   0.090 -14.029   3.874
   28   2HO*    C   3          2HO*        C   3   1.350 -14.056   5.985
   29    H1*    C   3           H1*        C   3  -0.314 -16.645   4.493
   30   1H4     C   3          1H4         C   3  -4.043 -15.897  -0.632
   31   2H4     C   3          2H4         C   3  -5.406 -15.619   0.424
   32    H5     C   3           H5         C   3  -5.188 -15.401   2.871
   33    H6     C   3           H6         C   3  -3.636 -15.425   4.704
   34   1H5*    A   4          1H5*        A   4   2.234 -12.056   5.578
   35   2H5*    A   4          2H5*        A   4   2.438 -10.308   5.340
   36    H4*    A   4           H4*        A   4   3.673 -11.707   3.672
   37    H3*    A   4           H3*        A   4   1.465  -9.913   2.623
   38    H2*    A   4           H2*        A   4   2.107 -10.585   0.420
   39   2HO*    A   4          2HO*        A   4   4.418 -10.542   1.145
   40    H1*    A   4           H1*        A   4   2.367 -13.241   1.011
   41    H8     A   4           H8         A   4  -0.645 -12.004   2.964
   42   1H6     A   4          1H6         A   4  -3.895 -13.145  -2.173
   43   2H6     A   4          2H6         A   4  -3.942 -12.790  -0.454
   44    H2     A   4           H2         A   4   0.467 -13.223  -3.252
   45   1H5*    C   5          1H5*        C   5   5.017  -8.688   0.326
   46   2H5*    C   5          2H5*        C   5   4.875  -6.971  -0.105
   47    H4*    C   5           H4*        C   5   4.881  -8.577  -2.065
   48    H3*    C   5           H3*        C   5   2.414  -6.850  -1.688
   49    H2*    C   5           H2*        C   5   1.649  -7.793  -3.771
   50   2HO*    C   5          2HO*        C   5   3.991  -7.767  -4.511
   51    H1*    C   5           H1*        C   5   2.359 -10.372  -3.151
   52   1H4     C   5          1H4         C   5  -3.852  -9.709  -1.868
   53   2H4     C   5          2H4         C   5  -3.510  -9.050  -0.284
   54    H5     C   5           H5         C   5  -1.169  -8.611   0.502
   55    H6     C   5           H6         C   5   1.133  -8.650  -0.154
   56   1H5*    U   6          1H5*        U   6   3.155  -6.405  -5.779
   57   2H5*    U   6          2H5*        U   6   2.851  -4.770  -6.365
   58    H4*    U   6           H4*        U   6   1.426  -6.585  -7.403
   59    H3*    U   6           H3*        U   6   0.038  -4.312  -5.975
   60    H2*    U   6           H2*        U   6  -2.065  -5.290  -6.555
   61   2HO*    U   6          2HO*        U   6  -1.093  -5.905  -8.682
   62    H1*    U   6           H1*        U   6  -1.371  -7.853  -5.983
   63    H3     U   6           H3         U   6  -4.399  -6.514  -2.830
   64    H5     U   6           H5         U   6  -0.591  -5.672  -1.246
   65    H6     U   6           H6         U   6   0.347  -6.056  -3.402
   66   1H5*    C   7          1H5*        C   7  -0.714  -3.509 -10.334
   67   2H5*    C   7          2H5*        C   7  -0.854  -1.791 -10.750
   68    H4*    C   7           H4*        C   7  -3.092  -2.934 -10.298
   69    H3*    C   7           H3*        C   7  -2.244  -0.697  -8.425
   70    H2*    C   7           H2*        C   7  -4.408  -0.871  -7.482
   71   2HO*    C   7          2HO*        C   7  -5.618  -0.905  -9.384
   72    H1*    C   7           H1*        C   7  -4.581  -3.677  -7.950
   73   1H4     C   7          1H4         C   7  -4.277  -3.203  -1.701
   74   2H4     C   7          2H4         C   7  -2.520  -3.146  -1.674
   75    H5     C   7           H5         C   7  -1.212  -2.962  -3.891
   76    H6     C   7           H6         C   7  -1.491  -2.787  -6.265
   77   1H5*    U   8          1H5*        U   8  -6.086  -0.026 -11.092
   78   2H5*    U   8          2H5*        U   8  -6.233   1.726 -11.326
   79    H4*    U   8           H4*        U   8  -8.385   0.640 -10.668
   80    H3*    U   8           H3*        U   8  -7.199   2.650  -8.728
   81    H2*    U   8           H2*        U   8  -9.277   2.451  -7.522
   82   2HO*    U   8          2HO*        U   8 -10.438   2.304  -9.629
   83    H1*    U   8           H1*        U   8  -9.407  -0.293  -7.736
   84    H3     U   8           H3         U   8  -8.611   0.533  -3.300
   85    H5     U   8           H5         U   8  -4.840   0.731  -5.164
   86    H6     U   8           H6         U   8  -5.938   0.721  -7.302
   87   1H5*    G   9          1H5*        G   9 -11.261   4.137  -9.616
   88   2H5*    G   9          2H5*        G   9 -11.262   5.903  -9.450
   89    H4*    G   9           H4*        G   9 -12.795   4.700  -7.854
   90    H3*    G   9           H3*        G   9 -10.543   6.330  -6.648
   91    H2*    G   9           H2*        G   9 -11.555   5.826  -4.495
   92   2HO*    G   9          2HO*        G   9 -13.733   5.969  -5.502
   93    H1*    G   9           H1*        G   9 -11.868   3.169  -5.022
   94    H8     G   9           H8         G   9  -8.566   4.318  -6.606
   95    H1     G   9           H1         G   9  -8.288   3.341  -0.259
   96   1H2     G   9          1H2         G   9 -10.403   3.270   0.580
   97   2H2     G   9          2H2         G   9 -11.782   3.225  -0.510
   98   1H5*    G  10          1H5*        G  10 -14.411   7.533  -4.791
   99   2H5*    G  10          2H5*        G  10 -14.346   9.230  -4.294
  100    H4*    G  10           H4*        G  10 -14.829   7.525  -2.457
  101    H3*    G  10           H3*        G  10 -12.485   9.417  -2.178
  102    H2*    G  10           H2*        G  10 -12.180   8.497   0.043
  103   2HO*    G  10          2HO*        G  10 -14.612   8.354   0.201
  104    H1*    G  10           H1*        G  10 -12.498   5.888  -0.725
  105    H8     G  10           H8         G  10 -10.523   7.460  -3.537
  106    H1     G  10           H1         G  10  -7.023   6.276   1.720
  107   1H2     G  10          1H2         G  10  -8.407   6.061   3.514
  108   2H2     G  10          2H2         G  10 -10.154   6.013   3.303
  109   1H5*    U  11          1H5*        U  11 -14.735   9.718   1.608
  110   2H5*    U  11          2H5*        U  11 -14.683  11.402   2.163
  111    H4*    U  11           H4*        U  11 -13.645   9.762   3.799
  112    H3*    U  11           H3*        U  11 -11.803  11.869   2.675
  113    H2*    U  11           H2*        U  11 -10.253  11.000   4.307
  114   2HO*    U  11          2HO*        U  11 -11.880  10.692   5.936
  115    H1*    U  11           H1*        U  11 -10.730   8.383   3.725
  116    H3     U  11           H3         U  11  -6.564   9.529   2.261
  117    H5     U  11           H5         U  11  -9.176  10.684  -0.844
  118    H6     U  11           H6         U  11 -11.024  10.287   0.632
  119   1H5*    A  12          1H5*        A  12 -13.156  13.264   6.846
  120   2H5*    A  12          2H5*        A  12 -12.613  14.902   7.242
  121    H4*    A  12           H4*        A  12 -11.234  12.951   8.178
  122    H3*    A  12           H3*        A  12  -9.886  15.101   6.560
  123    H2*    A  12           H2*        A  12  -7.821  14.016   7.121
  124   2HO*    A  12          2HO*        A  12  -8.373  13.617   9.320
  125    H1*    A  12           H1*        A  12  -8.788  11.435   6.669
  126    H8     A  12           H8         A  12 -10.171  13.727   4.060
  127   1H6     A  12          1H6         A  12  -4.953  12.802   0.883
  128   2H6     A  12          2H6         A  12  -6.619  13.359   0.840
  129    H2     A  12           H2         A  12  -4.200  11.605   5.148
  130   1H5*    U  13          1H5*        U  13  -6.764  16.753  10.858
  131   2H5*    U  13          2H5*        U  13  -6.768  17.240   9.167
  132    H4*    U  13           H4*        U  13  -5.230  14.993  10.482
  133    H3*    U  13           H3*        U  13  -4.759  17.319   8.603
  134    H2*    U  13           H2*        U  13  -3.001  16.233   7.488
  135   2HO*    U  13          2HO*        U  13  -2.434  15.291   9.744
  136    H1*    U  13           H1*        U  13  -4.226  13.792   7.298
  137    H3     U  13           H3         U  13  -4.580  15.386   3.051
  138    H5     U  13           H5         U  13  -7.968  16.777   5.146
  139    H6     U  13           H6         U  13  -6.836  16.252   7.194
  140   1H5*    C  14          1H5*        C  14  -1.100  17.067   9.421
  141   2H5*    C  14          2H5*        C  14  -0.421  18.615   9.967
  142    H4*    C  14           H4*        C  14   0.715  18.043   7.952
  143    H3*    C  14           H3*        C  14  -1.468  20.008   7.238
  144    H2*    C  14           H2*        C  14  -0.308  20.104   5.072
  145   2HO*    C  14          2HO*        C  14   1.584  18.919   4.727
  146    H1*    C  14           H1*        C  14  -0.376  17.390   4.893
  147   1H4     C  14          1H4         C  14  -5.936  19.439   2.507
  148   2H4     C  14          2H4         C  14  -6.662  19.525   4.098
  149    H5     C  14           H5         C  14  -5.341  19.014   6.172
  150    H6     C  14           H6         C  14  -3.180  18.460   6.992
  151   1H5*    A  15          1H5*        A  15  -0.446  23.305   5.648
  152   2H5*    A  15          2H5*        A  15   0.720  21.968   5.537
  153    H4*    A  15           H4*        A  15   1.046  24.896   4.962
  154    H3*    A  15           H3*        A  15   0.716  22.786   3.285
  155    H2*    A  15           H2*        A  15   2.362  21.363   4.211
  156   2HO*    A  15          2HO*        A  15   3.882  21.185   2.639
  157    H1*    A  15           H1*        A  15   4.312  23.620   4.247
  158    H8     A  15           H8         A  15   2.823  20.895   6.560
  159   1H6     A  15          1H6         A  15   8.608  20.266   8.690
  160   2H6     A  15          2H6         A  15   6.954  19.664   8.766
  161    H2     A  15           H2         A  15   8.597  23.565   5.681
  162   1H5*    C  16          1H5*        C  16   1.068  22.354   0.480
  163   2H5*    C  16          2H5*        C  16   1.203  23.740  -0.574
  164    H4*    C  16           H4*        C  16  -0.085  22.069  -1.632
  165    H3*    C  16           H3*        C  16  -1.131  24.578  -1.648
  166    H2*    C  16           H2*        C  16  -2.279  24.409   0.426
  167   2HO*    C  16          2HO*        C  16  -4.553  23.867  -0.127
  168    H1*    C  16           H1*        C  16  -3.419  21.744  -0.326
  169   1H4     C  16          1H4         C  16  -4.600  22.562   5.995
  170   2H4     C  16          2H4         C  16  -2.914  22.250   6.367
  171    H5     C  16           H5         C  16  -1.265  21.821   4.548
  172    H6     C  16           H6         C  16  -0.884  21.794   2.213
  173   1H5*    G  17          1H5*        G  17  -0.365  20.798  -5.000
  174   2H5*    G  17          2H5*        G  17  -0.412  20.772  -3.239
  175    H4*    G  17           H4*        G  17   2.067  21.270  -4.968
  176    H3*    G  17           H3*        G  17   1.145  18.936  -3.251
  177    H2*    G  17           H2*        G  17   3.381  18.515  -2.710
  178   2HO*    G  17          2HO*        G  17   3.767  18.952  -5.168
  179    H1*    G  17           H1*        G  17   4.230  21.227  -2.906
  180    H8     G  17           H8         G  17   5.506  20.647  -0.682
  181    H1     G  17           H1         G  17   0.125  18.659   2.180
  182   1H2     G  17          1H2         G  17  -1.524  18.488   0.727
  183   2H2     G  17          2H2         G  17  -1.311  18.975  -0.945
  184   1H5*    G  18          1H5*        G  18   3.572  16.745  -4.290
  185   2H5*    G  18          2H5*        G  18   3.091  15.061  -4.533
  186    H4*    G  18           H4*        G  18   4.283  15.832  -2.297
  187    H3*    G  18           H3*        G  18   1.890  13.989  -2.379
  188    H2*    G  18           H2*        G  18   2.093  13.821   0.012
  189   2HO*    G  18          2HO*        G  18   4.539  13.946  -0.310
  190    H1*    G  18           H1*        G  18   2.483  16.495   0.448
  191    H8     G  18           H8         G  18  -0.076  15.989  -2.336
  192    H1     G  18           H1         G  18  -2.432  14.915   3.550
  193   1H2     G  18          1H2         G  18  -0.725  14.708   5.012
  194   2H2     G  18          2H2         G  18   0.936  14.995   4.523
  195   1H5*    U  19          1H5*        U  19   4.780  12.213   0.365
  196   2H5*    U  19          2H5*        U  19   4.711  10.453   0.282
  197    H4*    U  19           H4*        U  19   4.214  11.490   2.535
  198    H3*    U  19           H3*        U  19   2.098   9.676   1.323
  199    H2*    U  19           H2*        U  19   0.997   9.885   3.465
  200   2HO*    U  19          2HO*        U  19   2.985   9.839   4.673
  201    H1*    U  19           H1*        U  19   1.265  12.578   3.608
  202    H3     U  19           H3         U  19  -3.154  11.868   2.511
  203    H5     U  19           H5         U  19  -1.058  11.918  -1.139
  204    H6     U  19           H6         U  19   0.984  11.838   0.074
  205   1H5*    A  20          1H5*        A  20   3.539   7.851   5.037
  206   2H5*    A  20          2H5*        A  20   3.329   6.090   5.034
  207    H4*    A  20           H4*        A  20   2.030   7.291   6.794
  208    H3*    A  20           H3*        A  20   0.339   5.743   4.764
  209    H2*    A  20           H2*        A  20  -1.500   6.331   6.117
  210   2HO*    A  20          2HO*        A  20   0.038   6.297   8.087
  211    H1*    A  20           H1*        A  20  -0.973   8.825   6.327
  212    H8     A  20           H8         A  20   0.389   7.923   2.831
  213   1H6     A  20          1H6         A  20  -5.211   9.170   0.674
  214   2H6     A  20          2H6         A  20  -3.542   8.782   0.339
  215    H2     A  20           H2         A  20  -5.494   8.996   5.198
  216   1H5*    C  21          1H5*        C  21  -1.356   5.057   8.280
  217   2H5*    C  21          2H5*        C  21  -1.728   3.429   8.587
  218    H4*    C  21           H4*        C  21  -3.720   4.825   8.723
  219    H3*    C  21           H3*        C  21  -3.825   2.951   6.316
  220    H2*    C  21           H2*        C  21  -6.035   3.806   5.990
  221   2HO*    C  21          2HO*        C  21  -6.352   3.913   8.373
  222    H1*    C  21           H1*        C  21  -5.300   6.421   6.282
  223   1H4     C  21          1H4         C  21  -4.876   5.773   0.076
  224   2H4     C  21          2H4         C  21  -3.176   5.346   0.170
  225    H5     C  21           H5         C  21  -2.064   4.884   2.391
  226    H6     C  21           H6         C  21  -2.400   4.876   4.758
  227   1H5*    C  22          1H5*        C  22  -7.414   2.242   8.592
  228   2H5*    C  22          2H5*        C  22  -7.954   0.557   8.443
  229    H4*    C  22           H4*        C  22  -9.559   2.296   7.515
  230    H3*    C  22           H3*        C  22  -8.450   0.192   5.627
  231    H2*    C  22           H2*        C  22  -9.871   1.124   3.948
  232   2HO*    C  22          2HO*        C  22 -11.508   1.500   5.763
  233    H1*    C  22           H1*        C  22  -9.366   3.755   4.598
  234   1H4     C  22          1H4         C  22  -5.765   2.693  -0.457
  235   2H4     C  22          2H4         C  22  -4.435   2.088   0.505
  236    H5     C  22           H5         C  22  -4.636   1.858   3.028
  237    H6     C  22           H6         C  22  -6.142   2.038   4.873
  238   1H5*    U  23          1H5*        U  23 -12.559   0.134   4.668
  239   2H5*    U  23          2H5*        U  23 -13.079  -1.530   4.370
  240    H4*    U  23           H4*        U  23 -13.333  -0.030   2.391
  241    H3*    U  23           H3*        U  23 -11.386  -2.337   2.111
  242    H2*    U  23           H2*        U  23 -11.243  -1.717  -0.233
  243   2HO*    U  23          2HO*        U  23 -13.553  -1.214  -0.314
  244    H1*    U  23           H1*        U  23 -11.097   0.968   0.261
  245    H3     U  23           H3         U  23  -6.954  -0.027  -1.258
  246    H5     U  23           H5         U  23  -6.940  -1.357   2.741
  247    H6     U  23           H6         U  23  -9.302  -0.911   2.847
  248   1H5*    U  24          1H5*        U  24 -14.484  -2.431  -1.126
  249   2H5*    U  24          2H5*        U  24 -14.749  -4.101  -1.646
  250    H4*    U  24           H4*        U  24 -14.004  -2.501  -3.479
  251    H3*    U  24           H3*        U  24 -12.248  -4.887  -2.848
  252    H2*    U  24           H2*        U  24 -11.034  -4.294  -4.845
  253   2HO*    U  24          2HO*        U  24 -11.734  -2.733  -6.254
  254    H1*    U  24           H1*        U  24 -11.019  -1.590  -4.231
  255    H3     U  24           H3         U  24  -6.689  -2.873  -3.856
  256    H5     U  24           H5         U  24  -8.472  -4.260  -0.325
  257    H6     U  24           H6         U  24 -10.654  -3.724  -1.250
  258   1H5*    U  25          1H5*        U  25 -13.162  -5.027  -6.993
  259   2H5*    U  25          2H5*        U  25 -13.362  -6.692  -7.562
  260    H4*    U  25           H4*        U  25 -11.605  -5.474  -8.807
  261    H3*    U  25           H3*        U  25 -10.591  -7.785  -7.104
  262    H2*    U  25           H2*        U  25  -8.496  -7.451  -8.195
  263   2HO*    U  25          2HO*        U  25  -9.663  -6.959 -10.247
  264    H1*    U  25           H1*        U  25  -8.551  -4.717  -7.940
  265    H3     U  25           H3         U  25  -5.360  -6.071  -4.968
  266    H5     U  25           H5         U  25  -8.978  -6.721  -2.972
  267    H6     U  25           H6         U  25 -10.156  -6.280  -5.030
  268   1H5*    G  26          1H5*        G  26  -9.557  -8.860 -11.106
  269   2H5*    G  26          2H5*        G  26  -9.585 -10.622 -11.318
  270    H4*    G  26           H4*        G  26  -7.331  -9.545 -11.649
  271    H3*    G  26           H3*        G  26  -7.592 -11.557  -9.392
  272    H2*    G  26           H2*        G  26  -5.184 -11.352  -9.162
  273   2HO*    G  26          2HO*        G  26  -5.019 -11.146 -11.565
  274    H1*    G  26           H1*        G  26  -5.218  -8.603  -9.317
  275    H8     G  26           H8         G  26  -8.256  -9.402  -7.249
  276    H1     G  26           H1         G  26  -2.699 -10.247  -4.115
  277   1H2     G  26          1H2         G  26  -0.983 -10.350  -5.649
  278   2H2     G  26          2H2         G  26  -1.311 -10.086  -7.354
  279   1H5*    U  27          1H5*        U  27  -4.240 -12.799 -12.026
  280   2H5*    U  27          2H5*        U  27  -4.155 -14.566 -12.073
  281    H4*    U  27           H4*        U  27  -2.038 -13.418 -11.354
  282    H3*    U  27           H3*        U  27  -3.291 -15.297  -9.313
  283    H2*    U  27           H2*        U  27  -1.267 -15.016  -8.110
  284   2HO*    U  27          2HO*        U  27   0.069 -14.953 -10.048
  285    H1*    U  27           H1*        U  27  -1.256 -12.304  -8.361
  286    H3     U  27           H3         U  27  -2.357 -13.397  -4.035
  287    H5     U  27           H5         U  27  -5.983 -13.488  -6.179
  288    H6     U  27           H6         U  27  -4.729 -13.315  -8.218
  289   1H5*    G  28          1H5*        G  28   0.762 -16.749 -10.242
  290   2H5*    G  28          2H5*        G  28   0.945 -18.464  -9.835
  291    H4*    G  28           H4*        G  28   2.389 -16.759  -8.575
  292    H3*    G  28           H3*        G  28   0.785 -18.748  -6.991
  293    H2*    G  28           H2*        G  28   1.901 -17.779  -5.041
  294   2HO*    G  28          2HO*        G  28   3.860 -17.463  -6.515
  295    H1*    G  28           H1*        G  28   1.388 -15.198  -5.759
  296    H8     G  28           H8         G  28  -1.685 -16.821  -7.042
  297    H1     G  28           H1         G  28  -1.697 -16.393  -0.640
  298   1H2     G  28          1H2         G  28   0.389 -16.069   0.136
  299   2H2     G  28          2H2         G  28   1.748 -15.908  -0.949
  300   1H5*    U  29          1H5*        U  29   4.673 -19.053  -5.577
  301   2H5*    U  29          2H5*        U  29   5.188 -20.727  -5.295
  302    H4*    U  29           H4*        U  29   5.239 -19.387  -3.231
  303    H3*    U  29           H3*        U  29   3.132 -21.584  -3.262
  304    H2*    U  29           H2*        U  29   2.737 -21.076  -0.980
  305   2HO*    U  29          2HO*        U  29   5.144 -20.605  -0.780
  306    H1*    U  29           H1*        U  29   2.663 -18.367  -1.359
  307    H3     U  29           H3         U  29  -1.743 -19.589  -0.777
  308    H5     U  29           H5         U  29  -0.951 -19.899  -4.896
  309    H6     U  29           H6         U  29   1.344 -19.661  -4.449
  310   1H5*    C  30          1H5*        C  30   5.520 -22.312   0.035
  311   2H5*    C  30          2H5*        C  30   5.830 -24.041   0.259
  312    H4*    C  30           H4*        C  30   4.734 -23.019   2.211
  313    H3*    C  30           H3*        C  30   3.008 -24.993   0.658
  314    H2*    C  30           H2*        C  30   1.433 -24.830   2.452
  315   2HO*    C  30          2HO*        C  30   3.489 -24.693   3.915
  316    H1*    C  30           H1*        C  30   1.829 -22.082   2.817
  317   1H4     C  30          1H4         C  30  -3.607 -22.300  -0.341
  318   2H4     C  30          2H4         C  30  -2.807 -22.386  -1.898
  319    H5     C  30           H5         C  30  -0.299 -22.859  -2.045
  320    H6     C  30           H6         C  30   1.711 -23.023  -0.736
  321    H3T    C  30           HE         C  30   3.838 -26.450   2.077
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1 -11.730 -20.908   7.499
    2   2H5*    G   1          2H5*        G   1 -11.340 -19.178   7.490
    3    H4*    G   1           H4*        G   1  -9.707 -20.442   8.805
    4    H3*    G   1           H3*        G   1  -8.606 -19.306   6.219
    5    H2*    G   1           H2*        G   1  -6.432 -19.945   7.095
    6   2HO*    G   1          2HO*        G   1  -7.104 -19.434   9.323
    7    H1*    G   1           H1*        G   1  -7.238 -22.459   7.696
    8    H8     G   1           H8         G   1  -9.323 -21.713   4.677
    9    H1     G   1           H1         G   1  -3.083 -22.035   3.181
   10   1H2     G   1          1H2         G   1  -1.852 -22.137   5.092
   11   2H2     G   1          2H2         G   1  -2.628 -22.239   6.668
   12   1H5*    G   2          1H5*        G   2  -6.223 -17.812   9.496
   13   2H5*    G   2          2H5*        G   2  -5.604 -16.198   9.156
   14    H4*    G   2           H4*        G   2  -3.913 -18.076   9.702
   15    H3*    G   2           H3*        G   2  -3.554 -16.354   7.269
   16    H2*    G   2           H2*        G   2  -1.541 -17.540   6.783
   17   2HO*    G   2          2HO*        G   2  -1.165 -17.758   9.162
   18    H1*    G   2           H1*        G   2  -2.648 -20.001   7.065
   19    H8     G   2           H8         G   2  -5.686 -18.630   5.625
   20    H1     G   2           H1         G   2  -0.892 -18.424   1.361
   21   1H2     G   2          1H2         G   2   1.076 -18.588   2.418
   22   2H2     G   2          2H2         G   2   1.170 -18.708   4.174
   23   1H5*    C   3          1H5*        C   3  -2.661 -12.332   7.846
   24   2H5*    C   3          2H5*        C   3  -3.545 -13.051   6.510
   25    H4*    C   3           H4*        C   3  -0.844 -13.970   7.616
   26    H3*    C   3           H3*        C   3  -1.818 -12.490   5.158
   27    H2*    C   3           H2*        C   3   0.049 -13.351   3.942
   28   2HO*    C   3          2HO*        C   3   1.321 -13.234   6.057
   29    H1*    C   3           H1*        C   3  -0.358 -15.908   4.760
   30   1H4     C   3          1H4         C   3  -4.129 -15.452  -0.379
   31   2H4     C   3          2H4         C   3  -5.482 -15.088   0.660
   32    H5     C   3           H5         C   3  -5.244 -14.738   3.102
   33    H6     C   3           H6         C   3  -3.674 -14.675   4.920
   34   1H5*    A   4          1H5*        A   4   2.217 -11.372   5.407
   35   2H5*    A   4          2H5*        A   4   2.462  -9.651   5.040
   36    H4*    A   4           H4*        A   4   3.633 -11.201   3.453
   37    H3*    A   4           H3*        A   4   1.458  -9.405   2.336
   38    H2*    A   4           H2*        A   4   2.015 -10.238   0.167
   39   2HO*    A   4          2HO*        A   4   4.343 -10.214   0.830
   40    H1*    A   4           H1*        A   4   2.219 -12.863   0.927
   41    H8     A   4           H8         A   4  -0.721 -11.450   2.857
   42   1H6     A   4          1H6         A   4  -4.090 -12.812  -2.155
   43   2H6     A   4          2H6         A   4  -4.101 -12.370  -0.455
   44    H2     A   4           H2         A   4   0.246 -12.992  -3.312
   45   1H5*    C   5          1H5*        C   5   4.965  -8.411  -0.099
   46   2H5*    C   5          2H5*        C   5   4.864  -6.705  -0.583
   47    H4*    C   5           H4*        C   5   4.743  -8.353  -2.502
   48    H3*    C   5           H3*        C   5   2.312  -6.599  -2.035
   49    H2*    C   5           H2*        C   5   1.454  -7.532  -4.063
   50   2HO*    C   5          2HO*        C   5   2.643  -8.736  -5.459
   51    H1*    C   5           H1*        C   5   2.192 -10.120  -3.433
   52   1H4     C   5          1H4         C   5  -3.983  -9.389  -2.099
   53   2H4     C   5          2H4         C   5  -3.631  -8.655  -0.548
   54    H5     C   5           H5         C   5  -1.272  -8.230   0.216
   55    H6     C   5           H6         C   5   1.030  -8.301  -0.468
   56   1H5*    U   6          1H5*        U   6   3.095  -6.148  -6.083
   57   2H5*    U   6          2H5*        U   6   2.810  -4.525  -6.717
   58    H4*    U   6           H4*        U   6   1.425  -6.341  -7.786
   59    H3*    U   6           H3*        U   6  -0.025  -4.086  -6.393
   60    H2*    U   6           H2*        U   6  -2.103  -5.095  -7.018
   61   2HO*    U   6          2HO*        U   6  -1.067  -5.686  -9.123
   62    H1*    U   6           H1*        U   6  -1.388  -7.657  -6.441
   63    H3     U   6           H3         U   6  -4.515  -6.329  -3.362
   64    H5     U   6           H5         U   6  -0.763  -5.433  -1.684
   65    H6     U   6           H6         U   6   0.236  -5.804  -3.814
   66   1H5*    C   7          1H5*        C   7  -0.687  -3.225 -10.754
   67   2H5*    C   7          2H5*        C   7  -0.820  -1.496 -11.128
   68    H4*    C   7           H4*        C   7  -3.066  -2.641 -10.759
   69    H3*    C   7           H3*        C   7  -2.252  -0.473  -8.795
   70    H2*    C   7           H2*        C   7  -4.421  -0.676  -7.887
   71   2HO*    C   7          2HO*        C   7  -5.601  -0.614  -9.809
   72    H1*    C   7           H1*        C   7  -4.607  -3.465  -8.475
   73   1H4     C   7          1H4         C   7  -4.417  -3.065  -2.185
   74   2H4     C   7          2H4         C   7  -2.672  -2.885  -2.124
   75    H5     C   7           H5         C   7  -1.321  -2.697  -4.319
   76    H6     C   7           H6         C   7  -1.561  -2.536  -6.701
   77   1H5*    U   8          1H5*        U   8  -6.041   0.351 -11.525
   78   2H5*    U   8          2H5*        U   8  -6.144   2.115 -11.692
   79    H4*    U   8           H4*        U   8  -8.331   1.053 -11.106
   80    H3*    U   8           H3*        U   8  -7.131   2.962  -9.075
   81    H2*    U   8           H2*        U   8  -9.213   2.745  -7.886
   82   2HO*    U   8          2HO*        U   8 -10.365   2.727  -9.998
   83    H1*    U   8           H1*        U   8  -9.412   0.018  -8.233
   84    H3     U   8           H3         U   8  -8.642   0.488  -3.759
   85    H5     U   8           H5         U   8  -4.853   0.858  -5.566
   86    H6     U   8           H6         U   8  -5.934   1.003  -7.711
   87   1H5*    G   9          1H5*        G   9 -11.179   4.586  -9.932
   88   2H5*    G   9          2H5*        G   9 -11.137   6.338  -9.659
   89    H4*    G   9           H4*        G   9 -12.703   5.061  -8.146
   90    H3*    G   9           H3*        G   9 -10.447   6.604  -6.839
   91    H2*    G   9           H2*        G   9 -11.453   5.970  -4.719
   92   2HO*    G   9          2HO*        G   9 -13.634   6.179  -5.736
   93    H1*    G   9           H1*        G   9 -11.780   3.354  -5.396
   94    H8     G   9           H8         G   9  -8.486   4.602  -6.933
   95    H1     G   9           H1         G   9  -8.136   3.114  -0.693
   96   1H2     G   9          1H2         G   9 -10.233   3.046   0.181
   97   2H2     G   9          2H2         G   9 -11.637   3.103  -0.874
   98   1H5*    G  10          1H5*        G  10 -14.287   7.679  -4.858
   99   2H5*    G  10          2H5*        G  10 -14.210   9.336  -4.243
  100    H4*    G  10           H4*        G  10 -14.655   7.497  -2.525
  101    H3*    G  10           H3*        G  10 -12.324   9.388  -2.155
  102    H2*    G  10           H2*        G  10 -11.948   8.304  -0.022
  103   2HO*    G  10          2HO*        G  10 -14.373   8.133   0.191
  104    H1*    G  10           H1*        G  10 -12.276   5.755  -0.962
  105    H8     G  10           H8         G  10 -10.377   7.543  -3.700
  106    H1     G  10           H1         G  10  -6.739   5.941   1.348
  107   1H2     G  10          1H2         G  10  -8.068   5.619   3.162
  108   2H2     G  10          2H2         G  10  -9.821   5.577   2.998
  109   1H5*    U  11          1H5*        U  11 -14.551   9.377   1.685
  110   2H5*    U  11          2H5*        U  11 -14.481  11.003   2.389
  111    H4*    U  11           H4*        U  11 -13.431   9.200   3.844
  112    H3*    U  11           H3*        U  11 -11.602  11.421   2.937
  113    H2*    U  11           H2*        U  11 -10.023  10.377   4.432
  114   2HO*    U  11          2HO*        U  11 -11.672   9.890   6.022
  115    H1*    U  11           H1*        U  11 -10.495   7.846   3.572
  116    H3     U  11           H3         U  11  -6.375   9.136   2.104
  117    H5     U  11           H5         U  11  -9.080  10.575  -0.794
  118    H6     U  11           H6         U  11 -10.878  10.062   0.703
  119   1H5*    A  12          1H5*        A  12 -12.928  12.387   7.237
  120   2H5*    A  12          2H5*        A  12 -12.409  13.993   7.768
  121    H4*    A  12           H4*        A  12 -10.942  12.017   8.465
  122    H3*    A  12           H3*        A  12  -9.718  14.323   6.965
  123    H2*    A  12           H2*        A  12  -7.603  13.260   7.347
  124   2HO*    A  12          2HO*        A  12  -8.023  12.679   9.525
  125    H1*    A  12           H1*        A  12  -8.529  10.696   6.737
  126    H8     A  12           H8         A  12 -10.076  13.145   4.375
  127   1H6     A  12          1H6         A  12  -4.984  12.586   0.919
  128   2H6     A  12          2H6         A  12  -6.663  13.099   0.986
  129    H2     A  12           H2         A  12  -4.014  11.105   5.045
  130   1H5*    U  13          1H5*        U  13  -6.447  15.731  11.236
  131   2H5*    U  13          2H5*        U  13  -6.542  16.342   9.587
  132    H4*    U  13           H4*        U  13  -4.898  14.040  10.657
  133    H3*    U  13           H3*        U  13  -4.563  16.519   8.952
  134    H2*    U  13           H2*        U  13  -2.831  15.573   7.684
  135   2HO*    U  13          2HO*        U  13  -2.134  14.480   9.827
  136    H1*    U  13           H1*        U  13  -4.000  13.123   7.353
  137    H3     U  13           H3         U  13  -4.594  14.984   3.248
  138    H5     U  13           H5         U  13  -7.913  16.140   5.579
  139    H6     U  13           H6         U  13  -6.676  15.515   7.541
  140   1H5*    C  14          1H5*        C  14  -0.874  16.329   9.603
  141   2H5*    C  14          2H5*        C  14  -0.222  17.858  10.228
  142    H4*    C  14           H4*        C  14   0.838  17.472   8.138
  143    H3*    C  14           H3*        C  14  -1.442  19.393   7.631
  144    H2*    C  14           H2*        C  14  -0.334  19.683   5.443
  145   2HO*    C  14          2HO*        C  14   1.569  18.560   4.973
  146    H1*    C  14           H1*        C  14  -0.342  16.983   5.084
  147   1H4     C  14          1H4         C  14  -6.053  18.967   3.026
  148   2H4     C  14          2H4         C  14  -6.722  18.923   4.643
  149    H5     C  14           H5         C  14  -5.308  18.349   6.635
  150    H6     C  14           H6         C  14  -3.099  17.834   7.347
  151   1H5*    A  15          1H5*        A  15  -0.584  22.828   6.229
  152   2H5*    A  15          2H5*        A  15   0.633  21.554   6.009
  153    H4*    A  15           H4*        A  15   0.825  24.529   5.614
  154    H3*    A  15           H3*        A  15   0.546  22.512   3.816
  155    H2*    A  15           H2*        A  15   2.254  21.106   4.626
  156   2HO*    A  15          2HO*        A  15   3.725  21.051   3.012
  157    H1*    A  15           H1*        A  15   4.121  23.444   4.748
  158    H8     A  15           H8         A  15   2.979  20.278   6.648
  159   1H6     A  15          1H6         A  15   8.566  20.429   9.299
  160   2H6     A  15          2H6         A  15   7.067  19.525   9.106
  161    H2     A  15           H2         A  15   8.151  24.085   6.769
  162   1H5*    C  16          1H5*        C  16   0.829  22.233   1.000
  163   2H5*    C  16          2H5*        C  16   0.928  23.690   0.038
  164    H4*    C  16           H4*        C  16  -0.331  22.090  -1.133
  165    H3*    C  16           H3*        C  16  -1.432  24.563  -0.903
  166    H2*    C  16           H2*        C  16  -2.606  24.203   1.134
  167   2HO*    C  16          2HO*        C  16  -4.136  23.710  -1.147
  168    H1*    C  16           H1*        C  16  -3.655  21.573   0.176
  169   1H4     C  16          1H4         C  16  -4.708  21.768   6.568
  170   2H4     C  16          2H4         C  16  -2.989  21.596   6.883
  171    H5     C  16           H5         C  16  -1.366  21.403   5.010
  172    H6     C  16           H6         C  16  -1.040  21.578   2.673
  173   1H5*    G  17          1H5*        G  17  -0.646  21.087  -4.571
  174   2H5*    G  17          2H5*        G  17  -0.683  20.922  -2.817
  175    H4*    G  17           H4*        G  17   1.775  21.598  -4.516
  176    H3*    G  17           H3*        G  17   0.918  19.119  -2.977
  177    H2*    G  17           H2*        G  17   3.166  18.704  -2.495
  178   2HO*    G  17          2HO*        G  17   3.513  19.326  -4.916
  179    H1*    G  17           H1*        G  17   3.959  21.447  -2.509
  180    H8     G  17           H8         G  17   5.303  20.743  -0.365
  181    H1     G  17           H1         G  17   0.048  18.414   2.478
  182   1H2     G  17          1H2         G  17  -1.629  18.301   1.059
  183   2H2     G  17          2H2         G  17  -1.472  18.889  -0.586
  184   1H5*    G  18          1H5*        G  18   3.352  17.061  -4.222
  185   2H5*    G  18          2H5*        G  18   2.892  15.397  -4.606
  186    H4*    G  18           H4*        G  18   4.099  15.995  -2.325
  187    H3*    G  18           H3*        G  18   1.730  14.124  -2.519
  188    H2*    G  18           H2*        G  18   1.995  13.768  -0.149
  189   2HO*    G  18          2HO*        G  18   4.421  13.943  -0.493
  190    H1*    G  18           H1*        G  18   2.351  16.405   0.486
  191    H8     G  18           H8         G  18  -0.272  16.064  -2.269
  192    H1     G  18           H1         G  18  -2.439  14.552   3.598
  193   1H2     G  18          1H2         G  18  -0.685  14.283   4.994
  194   2H2     G  18          2H2         G  18   0.956  14.625   4.472
  195   1H5*    U  19          1H5*        U  19   4.773  12.201   0.001
  196   2H5*    U  19          2H5*        U  19   4.714  10.449  -0.192
  197    H4*    U  19           H4*        U  19   4.303  11.361   2.145
  198    H3*    U  19           H3*        U  19   2.211   9.536   0.911
  199    H2*    U  19           H2*        U  19   1.176   9.585   3.097
  200   2HO*    U  19          2HO*        U  19   3.241   9.549   4.201
  201    H1*    U  19           H1*        U  19   1.370  12.275   3.398
  202    H3     U  19           H3         U  19  -3.076  11.575   2.446
  203    H5     U  19           H5         U  19  -1.139  11.829  -1.280
  204    H6     U  19           H6         U  19   0.957  11.698  -0.159
  205   1H5*    A  20          1H5*        A  20   3.841   7.508   4.462
  206   2H5*    A  20          2H5*        A  20   3.679   5.745   4.336
  207    H4*    A  20           H4*        A  20   2.393   6.789   6.206
  208    H3*    A  20           H3*        A  20   0.684   5.333   4.127
  209    H2*    A  20           H2*        A  20  -1.125   5.799   5.569
  210   2HO*    A  20          2HO*        A  20   0.436   5.665   7.495
  211    H1*    A  20           H1*        A  20  -0.649   8.287   5.924
  212    H8     A  20           H8         A  20   0.622   7.616   2.342
  213   1H6     A  20          1H6         A  20  -5.054   8.912   0.420
  214   2H6     A  20          2H6         A  20  -3.396   8.551   0.012
  215    H2     A  20           H2         A  20  -5.196   8.495   4.937
  216   1H5*    C  21          1H5*        C  21  -0.875   4.401   7.682
  217   2H5*    C  21          2H5*        C  21  -1.244   2.761   7.899
  218    H4*    C  21           H4*        C  21  -3.219   4.151   8.194
  219    H3*    C  21           H3*        C  21  -3.431   2.414   5.694
  220    H2*    C  21           H2*        C  21  -5.646   3.295   5.501
  221   2HO*    C  21          2HO*        C  21  -5.852   3.288   7.906
  222    H1*    C  21           H1*        C  21  -4.894   5.885   5.891
  223   1H4     C  21          1H4         C  21  -4.665   5.527  -0.354
  224   2H4     C  21          2H4         C  21  -2.965   5.094  -0.333
  225    H5     C  21           H5         C  21  -1.782   4.538   1.828
  226    H6     C  21           H6         C  21  -2.040   4.418   4.198
  227   1H5*    C  22          1H5*        C  22  -6.953   1.684   8.070
  228   2H5*    C  22          2H5*        C  22  -7.540   0.019   7.875
  229    H4*    C  22           H4*        C  22  -9.136   1.837   7.079
  230    H3*    C  22           H3*        C  22  -8.160  -0.248   5.100
  231    H2*    C  22           H2*        C  22  -9.598   0.761   3.493
  232   2HO*    C  22          2HO*        C  22 -11.176   1.127   5.355
  233    H1*    C  22           H1*        C  22  -9.021   3.365   4.184
  234   1H4     C  22          1H4         C  22  -5.608   2.439  -1.006
  235   2H4     C  22          2H4         C  22  -4.246   1.799  -0.111
  236    H5     C  22           H5         C  22  -4.370   1.483   2.412
  237    H6     C  22           H6         C  22  -5.819   1.601   4.305
  238   1H5*    U  23          1H5*        U  23 -12.335  -0.159   4.333
  239   2H5*    U  23          2H5*        U  23 -12.905  -1.799   3.986
  240    H4*    U  23           H4*        U  23 -13.186  -0.196   2.086
  241    H3*    U  23           H3*        U  23 -11.343  -2.561   1.628
  242    H2*    U  23           H2*        U  23 -11.262  -1.836  -0.692
  243   2HO*    U  23          2HO*        U  23 -13.589  -1.207  -0.531
  244    H1*    U  23           H1*        U  23 -10.969   0.811  -0.083
  245    H3     U  23           H3         U  23  -6.898  -0.247  -1.733
  246    H5     U  23           H5         U  23  -6.850  -1.761   2.199
  247    H6     U  23           H6         U  23  -9.196  -1.268   2.366
  248   1H5*    U  24          1H5*        U  24 -14.477  -2.391  -1.524
  249   2H5*    U  24          2H5*        U  24 -14.839  -4.031  -2.081
  250    H4*    U  24           H4*        U  24 -14.080  -2.472  -3.899
  251    H3*    U  24           H3*        U  24 -12.336  -4.887  -3.312
  252    H2*    U  24           H2*        U  24 -11.161  -4.288  -5.349
  253   2HO*    U  24          2HO*        U  24 -13.316  -3.630  -6.278
  254    H1*    U  24           H1*        U  24 -11.097  -1.590  -4.737
  255    H3     U  24           H3         U  24  -6.760  -2.846  -4.311
  256    H5     U  24           H5         U  24  -8.583  -4.373  -0.860
  257    H6     U  24           H6         U  24 -10.752  -3.807  -1.792
  258   1H5*    U  25          1H5*        U  25 -13.330  -5.158  -7.482
  259   2H5*    U  25          2H5*        U  25 -13.546  -6.861  -7.923
  260    H4*    U  25           H4*        U  25 -11.778  -5.744  -9.252
  261    H3*    U  25           H3*        U  25 -10.776  -7.942  -7.395
  262    H2*    U  25           H2*        U  25  -8.698  -7.704  -8.534
  263   2HO*    U  25          2HO*        U  25  -9.890  -7.367 -10.596
  264    H1*    U  25           H1*        U  25  -8.740  -4.953  -8.483
  265    H3     U  25           H3         U  25  -5.479  -6.169  -5.512
  266    H5     U  25           H5         U  25  -9.055  -6.653  -3.387
  267    H6     U  25           H6         U  25 -10.283  -6.293  -5.436
  268   1H5*    G  26          1H5*        G  26  -9.802  -9.294 -11.330
  269   2H5*    G  26          2H5*        G  26  -9.820 -11.068 -11.403
  270    H4*    G  26           H4*        G  26  -7.580 -10.012 -11.854
  271    H3*    G  26           H3*        G  26  -7.794 -11.834  -9.438
  272    H2*    G  26           H2*        G  26  -5.384 -11.595  -9.264
  273   2HO*    G  26          2HO*        G  26  -5.253 -11.592 -11.674
  274    H1*    G  26           H1*        G  26  -5.436  -8.871  -9.643
  275    H8     G  26           H8         G  26  -8.444  -9.591  -7.464
  276    H1     G  26           H1         G  26  -2.821  -9.991  -4.360
  277   1H2     G  26          1H2         G  26  -1.127 -10.157  -5.900
  278   2H2     G  26          2H2         G  26  -1.473 -10.021  -7.618
  279   1H5*    U  27          1H5*        U  27  -4.494 -13.267 -12.019
  280   2H5*    U  27          2H5*        U  27  -4.381 -15.031 -11.920
  281    H4*    U  27           H4*        U  27  -2.275 -13.806 -11.323
  282    H3*    U  27           H3*        U  27  -3.486 -15.502  -9.105
  283    H2*    U  27           H2*        U  27  -1.447 -15.090  -7.956
  284   2HO*    U  27          2HO*        U  27  -0.153 -15.187  -9.930
  285    H1*    U  27           H1*        U  27  -1.478 -12.412  -8.447
  286    H3     U  27           H3         U  27  -2.549 -13.185  -4.033
  287    H5     U  27           H5         U  27  -6.180 -13.502  -6.144
  288    H6     U  27           H6         U  27  -4.937 -13.463  -8.195
  289   1H5*    G  28          1H5*        G  28   0.546 -17.008  -9.946
  290   2H5*    G  28          2H5*        G  28   0.734 -18.686  -9.413
  291    H4*    G  28           H4*        G  28   2.193 -16.895  -8.302
  292    H3*    G  28           H3*        G  28   0.594 -18.746  -6.551
  293    H2*    G  28           H2*        G  28   1.736 -17.639  -4.694
  294   2HO*    G  28          2HO*        G  28   3.683 -17.462  -6.189
  295    H1*    G  28           H1*        G  28   1.221 -15.119  -5.606
  296    H8     G  28           H8         G  28  -1.873 -16.800  -6.743
  297    H1     G  28           H1         G  28  -1.820 -15.974  -0.380
  298   1H2     G  28          1H2         G  28   0.275 -15.622   0.356
  299   2H2     G  28          2H2         G  28   1.627 -15.543  -0.749
  300   1H5*    U  29          1H5*        U  29   4.513 -19.066  -5.207
  301   2H5*    U  29          2H5*        U  29   4.988 -20.733  -4.828
  302    H4*    U  29           H4*        U  29   5.123 -19.263  -2.860
  303    H3*    U  29           H3*        U  29   2.951 -21.389  -2.688
  304    H2*    U  29           H2*        U  29   2.635 -20.707  -0.435
  305   2HO*    U  29          2HO*        U  29   5.051 -20.293  -0.317
  306    H1*    U  29           H1*        U  29   2.610 -18.036  -1.009
  307    H3     U  29           H3         U  29  -1.805 -19.192  -0.248
  308    H5     U  29           H5         U  29  -1.109 -19.739  -4.357
  309    H6     U  29           H6         U  29   1.199 -19.488  -3.978
  310   1H5*    C  30          1H5*        C  30   5.467 -21.929   0.595
  311   2H5*    C  30          2H5*        C  30   5.705 -23.643   0.975
  312    H4*    C  30           H4*        C  30   4.719 -22.325   2.842
  313    H3*    C  30           H3*        C  30   2.973 -24.507   1.626
  314    H2*    C  30           H2*        C  30   1.408 -24.095   3.365
  315   2HO*    C  30          2HO*        C  30   1.974 -22.833   5.188
  316    H1*    C  30           H1*        C  30   1.828 -21.309   3.404
  317   1H4     C  30          1H4         C  30  -3.704 -21.837   0.485
  318   2H4     C  30          2H4         C  30  -2.942 -22.035  -1.081
  319    H5     C  30           H5         C  30  -0.448 -22.532  -1.264
  320    H6     C  30           H6         C  30   1.600 -22.608  -0.008
  321    H3T    C  30           HE         C  30   4.149 -24.503   4.159
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1 -11.734 -23.314   6.850
    2   2H5*    G   1          2H5*        G   1 -11.852 -21.553   7.033
    3    H4*    G   1           H4*        G   1  -9.869 -22.436   8.189
    4    H3*    G   1           H3*        G   1  -9.277 -20.708   5.779
    5    H2*    G   1           H2*        G   1  -6.968 -20.825   6.476
    6   2HO*    G   1          2HO*        G   1  -7.743 -20.791   8.791
    7    H1*    G   1           H1*        G   1  -7.001 -23.505   6.946
    8    H8     G   1           H8         G   1  -9.207 -22.997   3.905
    9    H1     G   1           H1         G   1  -2.936 -22.385   2.629
   10   1H2     G   1          1H2         G   1  -1.783 -22.241   4.596
   11   2H2     G   1          2H2         G   1  -2.610 -22.380   6.143
   12   1H5*    G   2          1H5*        G   2  -6.988 -19.113   9.031
   13   2H5*    G   2          2H5*        G   2  -6.929 -17.350   8.920
   14    H4*    G   2           H4*        G   2  -4.658 -18.475   8.859
   15    H3*    G   2           H3*        G   2  -5.435 -16.864   6.413
   16    H2*    G   2           H2*        G   2  -3.145 -17.135   5.833
   17   2HO*    G   2          2HO*        G   2  -2.495 -16.878   8.132
   18    H1*    G   2           H1*        G   2  -3.050 -19.806   6.562
   19    H8     G   2           H8         G   2  -6.292 -19.343   4.715
   20    H1     G   2           H1         G   2  -1.114 -18.861   0.888
   21   1H2     G   2          1H2         G   2   0.734 -18.847   2.134
   22   2H2     G   2          2H2         G   2   0.665 -18.954   3.889
   23   1H5*    C   3          1H5*        C   3  -2.015 -15.210   8.364
   24   2H5*    C   3          2H5*        C   3  -1.724 -13.498   8.035
   25    H4*    C   3           H4*        C   3  -0.008 -15.252   7.249
   26    H3*    C   3           H3*        C   3  -1.128 -13.177   5.301
   27    H2*    C   3           H2*        C   3   0.471 -13.963   3.706
   28   2HO*    C   3          2HO*        C   3   2.067 -14.208   5.510
   29    H1*    C   3           H1*        C   3   0.016 -16.613   4.245
   30   1H4     C   3          1H4         C   3  -3.892 -15.822  -0.623
   31   2H4     C   3          2H4         C   3  -5.197 -15.389   0.458
   32    H5     C   3           H5         C   3  -4.829 -14.985   2.893
   33    H6     C   3           H6         C   3  -3.197 -15.012   4.631
   34   1H5*    A   4          1H5*        A   4   3.034 -12.199   5.340
   35   2H5*    A   4          2H5*        A   4   3.248 -10.448   5.140
   36    H4*    A   4           H4*        A   4   4.204 -11.832   3.279
   37    H3*    A   4           H3*        A   4   1.947  -9.935   2.540
   38    H2*    A   4           H2*        A   4   2.395 -10.533   0.268
   39   2HO*    A   4          2HO*        A   4   4.738 -10.552   0.701
   40    H1*    A   4           H1*        A   4   2.622 -13.222   0.785
   41    H8     A   4           H8         A   4  -0.220 -11.884   2.922
   42   1H6     A   4          1H6         A   4  -3.764 -12.967  -2.056
   43   2H6     A   4          2H6         A   4  -3.737 -12.604  -0.335
   44    H2     A   4           H2         A   4   0.520 -13.142  -3.343
   45   1H5*    C   5          1H5*        C   5   5.391  -8.578   0.074
   46   2H5*    C   5          2H5*        C   5   5.178  -6.858  -0.312
   47    H4*    C   5           H4*        C   5   5.121  -8.454  -2.294
   48    H3*    C   5           H3*        C   5   2.650  -6.760  -1.794
   49    H2*    C   5           H2*        C   5   1.834  -7.681  -3.872
   50   2HO*    C   5          2HO*        C   5   4.140  -7.611  -4.692
   51    H1*    C   5           H1*        C   5   2.591 -10.260  -3.283
   52   1H4     C   5          1H4         C   5  -3.582  -9.587  -1.859
   53   2H4     C   5          2H4         C   5  -3.212  -8.913  -0.289
   54    H5     C   5           H5         C   5  -0.842  -8.514   0.465
   55    H6     C   5           H6         C   5   1.445  -8.550  -0.249
   56   1H5*    U   6          1H5*        U   6   3.315  -6.205  -5.896
   57   2H5*    U   6          2H5*        U   6   2.962  -4.565  -6.441
   58    H4*    U   6           H4*        U   6   1.594  -6.414  -7.506
   59    H3*    U   6           H3*        U   6   0.151  -4.177  -6.077
   60    H2*    U   6           H2*        U   6  -1.927  -5.198  -6.664
   61   2HO*    U   6          2HO*        U   6  -0.905  -5.779  -8.790
   62    H1*    U   6           H1*        U   6  -1.181  -7.759  -6.113
   63    H3     U   6           H3         U   6  -4.234  -6.479  -2.933
   64    H5     U   6           H5         U   6  -0.429  -5.647  -1.343
   65    H6     U   6           H6         U   6   0.509  -5.987  -3.503
   66   1H5*    C   7          1H5*        C   7  -0.770  -3.317 -10.329
   67   2H5*    C   7          2H5*        C   7  -0.867  -1.585 -10.707
   68    H4*    C   7           H4*        C   7  -3.138  -2.699 -10.298
   69    H3*    C   7           H3*        C   7  -2.259  -0.528  -8.364
   70    H2*    C   7           H2*        C   7  -4.408  -0.716  -7.397
   71   2HO*    C   7          2HO*        C   7  -5.623  -0.669  -9.306
   72    H1*    C   7           H1*        C   7  -4.621  -3.505  -7.964
   73   1H4     C   7          1H4         C   7  -4.192  -3.172  -1.695
   74   2H4     C   7          2H4         C   7  -2.434  -3.129  -1.701
   75    H5     C   7           H5         C   7  -1.165  -2.945  -3.943
   76    H6     C   7           H6         C   7  -1.489  -2.725  -6.306
   77   1H5*    U   8          1H5*        U   8  -6.101   0.223 -11.047
   78   2H5*    U   8          2H5*        U   8  -6.232   1.982 -11.243
   79    H4*    U   8           H4*        U   8  -8.404   0.889 -10.655
   80    H3*    U   8           H3*        U   8  -7.253   2.864  -8.661
   81    H2*    U   8           H2*        U   8  -9.343   2.642  -7.480
   82   2HO*    U   8          2HO*        U   8 -10.468   2.544  -9.611
   83    H1*    U   8           H1*        U   8  -9.488  -0.098  -7.764
   84    H3     U   8           H3         U   8  -8.764   0.602  -3.292
   85    H5     U   8           H5         U   8  -4.962   0.851  -5.087
   86    H6     U   8           H6         U   8  -6.021   0.887  -7.242
   87   1H5*    G   9          1H5*        G   9 -11.321   4.378  -9.601
   88   2H5*    G   9          2H5*        G   9 -11.314   6.141  -9.407
   89    H4*    G   9           H4*        G   9 -12.880   4.912  -7.856
   90    H3*    G   9           H3*        G   9 -10.654   6.540  -6.600
   91    H2*    G   9           H2*        G   9 -11.674   6.000  -4.463
   92   2HO*    G   9          2HO*        G   9 -13.846   6.157  -5.484
   93    H1*    G   9           H1*        G   9 -11.993   3.350  -5.030
   94    H8     G   9           H8         G   9  -8.670   4.534  -6.554
   95    H1     G   9           H1         G   9  -8.459   3.336  -0.245
   96   1H2     G   9          1H2         G   9 -10.577   3.242   0.573
   97   2H2     G   9          2H2         G   9 -11.949   3.226  -0.527
   98   1H5*    G  10          1H5*        G  10 -14.533   7.712  -4.726
   99   2H5*    G  10          2H5*        G  10 -14.468   9.413  -4.241
  100    H4*    G  10           H4*        G  10 -14.936   7.738  -2.381
  101    H3*    G  10           H3*        G  10 -12.559   9.597  -2.153
  102    H2*    G  10           H2*        G  10 -12.213   8.678   0.057
  103   2HO*    G  10          2HO*        G  10 -14.635   8.590   0.289
  104    H1*    G  10           H1*        G  10 -12.613   6.071  -0.678
  105    H8     G  10           H8         G  10 -10.639   7.658  -3.506
  106    H1     G  10           H1         G  10  -7.106   6.253   1.674
  107   1H2     G  10          1H2         G  10  -8.473   6.027   3.478
  108   2H2     G  10          2H2         G  10 -10.223   5.993   3.283
  109   1H5*    U  11          1H5*        U  11 -14.775   9.945   1.697
  110   2H5*    U  11          2H5*        U  11 -14.626  11.613   2.277
  111    H4*    U  11           H4*        U  11 -13.650   9.867   3.851
  112    H3*    U  11           H3*        U  11 -11.738  11.954   2.806
  113    H2*    U  11           H2*        U  11 -10.194  10.956   4.364
  114   2HO*    U  11          2HO*        U  11 -11.833  10.636   5.991
  115    H1*    U  11           H1*        U  11 -10.764   8.386   3.672
  116    H3     U  11           H3         U  11  -6.600   9.485   2.161
  117    H5     U  11           H5         U  11  -9.248  10.857  -0.822
  118    H6     U  11           H6         U  11 -11.066  10.446   0.676
  119   1H5*    A  12          1H5*        A  12 -13.116  13.241   7.032
  120   2H5*    A  12          2H5*        A  12 -12.554  14.859   7.476
  121    H4*    A  12           H4*        A  12 -11.167  12.886   8.320
  122    H3*    A  12           H3*        A  12  -9.836  15.060   6.718
  123    H2*    A  12           H2*        A  12  -7.769  13.961   7.211
  124   2HO*    A  12          2HO*        A  12  -8.254  13.524   9.411
  125    H1*    A  12           H1*        A  12  -8.755  11.392   6.736
  126    H8     A  12           H8         A  12 -10.186  13.733   4.198
  127   1H6     A  12          1H6         A  12  -5.048  12.837   0.888
  128   2H6     A  12          2H6         A  12  -6.716  13.391   0.889
  129    H2     A  12           H2         A  12  -4.200  11.579   5.116
  130   1H5*    U  13          1H5*        U  13  -6.655  16.605  11.031
  131   2H5*    U  13          2H5*        U  13  -6.671  17.140   9.353
  132    H4*    U  13           H4*        U  13  -5.127  14.859  10.594
  133    H3*    U  13           H3*        U  13  -4.674  17.219   8.756
  134    H2*    U  13           H2*        U  13  -2.935  16.152   7.595
  135   2HO*    U  13          2HO*        U  13  -2.334  15.165   9.822
  136    H1*    U  13           H1*        U  13  -4.170  13.717   7.380
  137    H3     U  13           H3         U  13  -4.592  15.335   3.155
  138    H5     U  13           H5         U  13  -7.926  16.753   5.315
  139    H6     U  13           H6         U  13  -6.768  16.202   7.344
  140   1H5*    C  14          1H5*        C  14  -0.992  16.929   9.501
  141   2H5*    C  14          2H5*        C  14  -0.293  18.468  10.046
  142    H4*    C  14           H4*        C  14   0.790  17.904   8.003
  143    H3*    C  14           H3*        C  14  -1.382  19.912   7.365
  144    H2*    C  14           H2*        C  14  -0.249  20.022   5.167
  145   2HO*    C  14          2HO*        C  14   1.610  18.809   4.793
  146    H1*    C  14           H1*        C  14  -0.359  17.312   4.955
  147   1H4     C  14          1H4         C  14  -5.989  19.377   2.735
  148   2H4     C  14          2H4         C  14  -6.657  19.490   4.350
  149    H5     C  14           H5         C  14  -5.276  18.979   6.382
  150    H6     C  14           H6         C  14  -3.095  18.416   7.136
  151   1H5*    A  15          1H5*        A  15  -0.340  23.225   5.839
  152   2H5*    A  15          2H5*        A  15   0.781  21.845   5.668
  153    H4*    A  15           H4*        A  15   1.179  24.767   5.157
  154    H3*    A  15           H3*        A  15   0.641  22.697   3.463
  155    H2*    A  15           H2*        A  15   2.394  21.275   4.147
  156   2HO*    A  15          2HO*        A  15   3.741  21.203   2.378
  157    H1*    A  15           H1*        A  15   4.218  23.663   4.035
  158    H8     A  15           H8         A  15   3.429  20.493   6.111
  159   1H6     A  15          1H6         A  15   9.555  20.222   7.023
  160   2H6     A  15          2H6         A  15   8.006  19.428   7.294
  161    H2     A  15           H2         A  15   8.669  23.936   4.710
  162   1H5*    C  16          1H5*        C  16   1.081  22.295   0.444
  163   2H5*    C  16          2H5*        C  16   0.851  23.727  -0.529
  164    H4*    C  16           H4*        C  16  -0.221  21.747  -1.395
  165    H3*    C  16           H3*        C  16  -1.428  24.222  -1.479
  166    H2*    C  16           H2*        C  16  -2.502  24.088   0.618
  167   2HO*    C  16          2HO*        C  16  -4.762  23.394   0.157
  168    H1*    C  16           H1*        C  16  -3.492  21.316   0.029
  169   1H4     C  16          1H4         C  16  -4.566  22.570   6.340
  170   2H4     C  16          2H4         C  16  -2.868  22.266   6.665
  171    H5     C  16           H5         C  16  -1.275  21.777   4.845
  172    H6     C  16           H6         C  16  -0.968  21.549   2.508
  173   1H5*    G  17          1H5*        G  17   0.716  22.303  -5.124
  174   2H5*    G  17          2H5*        G  17   0.040  20.653  -5.114
  175    H4*    G  17           H4*        G  17   2.626  21.166  -4.893
  176    H3*    G  17           H3*        G  17   1.181  19.011  -3.325
  177    H2*    G  17           H2*        G  17   3.374  18.392  -2.614
  178   2HO*    G  17          2HO*        G  17   4.005  18.780  -4.997
  179    H1*    G  17           H1*        G  17   4.375  21.067  -2.719
  180    H8     G  17           H8         G  17   5.459  20.581  -0.458
  181    H1     G  17           H1         G  17  -0.037  18.571   2.153
  182   1H2     G  17          1H2         G  17  -1.595  18.293   0.541
  183   2H2     G  17          2H2         G  17  -1.252  18.767  -1.112
  184   1H5*    G  18          1H5*        G  18   3.615  16.698  -4.235
  185   2H5*    G  18          2H5*        G  18   3.086  15.065  -4.600
  186    H4*    G  18           H4*        G  18   4.213  15.684  -2.270
  187    H3*    G  18           H3*        G  18   1.783  13.892  -2.498
  188    H2*    G  18           H2*        G  18   1.995  13.598  -0.104
  189   2HO*    G  18          2HO*        G  18   4.416  13.678  -0.395
  190    H1*    G  18           H1*        G  18   2.417  16.251   0.440
  191    H8     G  18           H8         G  18  -0.175  15.832  -2.353
  192    H1     G  18           H1         G  18  -2.477  14.849   3.579
  193   1H2     G  18          1H2         G  18  -0.760  14.628   5.023
  194   2H2     G  18          2H2         G  18   0.903  14.850   4.505
  195   1H5*    U  19          1H5*        U  19   4.705  11.953   0.162
  196   2H5*    U  19          2H5*        U  19   4.563  10.198   0.062
  197    H4*    U  19           H4*        U  19   4.155  11.269   2.338
  198    H3*    U  19           H3*        U  19   2.022   9.450   1.167
  199    H2*    U  19           H2*        U  19   0.938   9.675   3.319
  200   2HO*    U  19          2HO*        U  19   3.000   9.635   4.454
  201    H1*    U  19           H1*        U  19   1.239  12.371   3.471
  202    H3     U  19           H3         U  19  -3.214  11.838   2.478
  203    H5     U  19           H5         U  19  -1.208  11.777  -1.221
  204    H6     U  19           H6         U  19   0.858  11.594  -0.058
  205   1H5*    A  20          1H5*        A  20   3.462   7.638   4.926
  206   2H5*    A  20          2H5*        A  20   3.238   5.877   4.917
  207    H4*    A  20           H4*        A  20   1.915   7.078   6.672
  208    H3*    A  20           H3*        A  20   0.248   5.580   4.591
  209    H2*    A  20           H2*        A  20  -1.602   6.161   5.903
  210   2HO*    A  20          2HO*        A  20  -1.456   7.177   7.865
  211    H1*    A  20           H1*        A  20  -1.043   8.653   6.145
  212    H8     A  20           H8         A  20   0.303   7.696   2.656
  213   1H6     A  20          1H6         A  20  -5.264   9.203   0.544
  214   2H6     A  20          2H6         A  20  -3.620   8.739   0.183
  215    H2     A  20           H2         A  20  -5.514   9.001   5.063
  216   1H5*    C  21          1H5*        C  21  -1.346   4.870   8.127
  217   2H5*    C  21          2H5*        C  21  -1.782   3.271   8.446
  218    H4*    C  21           H4*        C  21  -3.714   4.733   8.671
  219    H3*    C  21           H3*        C  21  -3.956   2.865   6.276
  220    H2*    C  21           H2*        C  21  -6.147   3.789   5.983
  221   2HO*    C  21          2HO*        C  21  -6.375   3.926   8.388
  222    H1*    C  21           H1*        C  21  -5.337   6.379   6.244
  223   1H4     C  21          1H4         C  21  -4.997   5.777   0.036
  224   2H4     C  21          2H4         C  21  -3.313   5.289   0.107
  225    H5     C  21           H5         C  21  -2.196   4.752   2.305
  226    H6     C  21           H6         C  21  -2.499   4.725   4.666
  227   1H5*    C  22          1H5*        C  22  -7.562   2.302   8.579
  228   2H5*    C  22          2H5*        C  22  -8.124   0.620   8.471
  229    H4*    C  22           H4*        C  22  -9.718   2.335   7.501
  230    H3*    C  22           H3*        C  22  -8.594   0.207   5.648
  231    H2*    C  22           H2*        C  22 -10.014   1.102   3.954
  232   2HO*    C  22          2HO*        C  22 -11.669   1.481   5.740
  233    H1*    C  22           H1*        C  22  -9.531   3.746   4.570
  234   1H4     C  22          1H4         C  22  -5.897   2.698  -0.450
  235   2H4     C  22          2H4         C  22  -4.571   2.086   0.517
  236    H5     C  22           H5         C  22  -4.791   1.838   3.037
  237    H6     C  22           H6         C  22  -6.316   2.009   4.872
  238   1H5*    U  23          1H5*        U  23 -12.716   0.076   4.683
  239   2H5*    U  23          2H5*        U  23 -13.188  -1.605   4.395
  240    H4*    U  23           H4*        U  23 -13.469  -0.127   2.406
  241    H3*    U  23           H3*        U  23 -11.454  -2.378   2.143
  242    H2*    U  23           H2*        U  23 -11.333  -1.767  -0.204
  243   2HO*    U  23          2HO*        U  23 -13.676  -1.324  -0.239
  244    H1*    U  23           H1*        U  23 -11.258   0.929   0.283
  245    H3     U  23           H3         U  23  -7.092   0.003  -1.225
  246    H5     U  23           H5         U  23  -7.074  -1.374   2.759
  247    H6     U  23           H6         U  23  -9.437  -0.938   2.867
  248   1H5*    U  24          1H5*        U  24 -14.495  -2.611  -1.119
  249   2H5*    U  24          2H5*        U  24 -14.694  -4.292  -1.632
  250    H4*    U  24           H4*        U  24 -13.975  -2.672  -3.458
  251    H3*    U  24           H3*        U  24 -12.165  -5.009  -2.797
  252    H2*    U  24           H2*        U  24 -10.934  -4.387  -4.773
  253   2HO*    U  24          2HO*        U  24 -11.659  -2.894  -6.222
  254    H1*    U  24           H1*        U  24 -11.038  -1.670  -4.192
  255    H3     U  24           H3         U  24  -6.654  -2.796  -3.807
  256    H5     U  24           H5         U  24  -8.393  -4.307  -0.308
  257    H6     U  24           H6         U  24 -10.592  -3.800  -1.213
  258   1H5*    U  25          1H5*        U  25 -13.077  -5.144  -6.972
  259   2H5*    U  25          2H5*        U  25 -13.220  -6.810  -7.554
  260    H4*    U  25           H4*        U  25 -11.495  -5.493  -8.777
  261    H3*    U  25           H3*        U  25 -10.482  -7.862  -7.159
  262    H2*    U  25           H2*        U  25  -8.367  -7.477  -8.183
  263   2HO*    U  25          2HO*        U  25  -9.559  -6.936 -10.231
  264    H1*    U  25           H1*        U  25  -8.462  -4.733  -7.906
  265    H3     U  25           H3         U  25  -5.226  -6.007  -4.955
  266    H5     U  25           H5         U  25  -8.819  -6.810  -2.962
  267    H6     U  25           H6         U  25 -10.014  -6.379  -5.011
  268   1H5*    G  26          1H5*        G  26  -9.372  -8.891 -11.148
  269   2H5*    G  26          2H5*        G  26  -9.477 -10.649 -11.380
  270    H4*    G  26           H4*        G  26  -7.152  -9.718 -11.598
  271    H3*    G  26           H3*        G  26  -7.631 -11.632  -9.289
  272    H2*    G  26           H2*        G  26  -5.239 -11.543  -8.957
  273   2HO*    G  26          2HO*        G  26  -4.717 -11.588 -11.198
  274    H1*    G  26           H1*        G  26  -5.107  -8.795  -9.327
  275    H8     G  26           H8         G  26  -8.133  -9.435  -7.159
  276    H1     G  26           H1         G  26  -2.517 -10.134  -4.087
  277   1H2     G  26          1H2         G  26  -0.829 -10.282  -5.643
  278   2H2     G  26          2H2         G  26  -1.188 -10.104  -7.351
  279   1H5*    U  27          1H5*        U  27  -4.352 -13.156 -12.030
  280   2H5*    U  27          2H5*        U  27  -4.293 -14.924 -11.940
  281    H4*    U  27           H4*        U  27  -2.128 -13.713 -11.401
  282    H3*    U  27           H3*        U  27  -3.287 -15.519  -9.246
  283    H2*    U  27           H2*        U  27  -1.205 -15.161  -8.121
  284   2HO*    U  27          2HO*        U  27   0.019 -15.166 -10.146
  285    H1*    U  27           H1*        U  27  -1.232 -12.465  -8.492
  286    H3     U  27           H3         U  27  -2.164 -13.266  -4.066
  287    H5     U  27           H5         U  27  -5.857 -13.580  -6.057
  288    H6     U  27           H6         U  27  -4.690 -13.524  -8.151
  289   1H5*    G  28          1H5*        G  28   0.781 -17.000 -10.282
  290   2H5*    G  28          2H5*        G  28   0.976 -18.696  -9.810
  291    H4*    G  28           H4*        G  28   2.471 -16.946  -8.675
  292    H3*    G  28           H3*        G  28   0.914 -18.857  -6.956
  293    H2*    G  28           H2*        G  28   2.044 -17.794  -5.071
  294   2HO*    G  28          2HO*        G  28   3.976 -17.531  -6.602
  295    H1*    G  28           H1*        G  28   1.530 -15.248  -5.898
  296    H8     G  28           H8         G  28  -1.594 -16.930  -7.036
  297    H1     G  28           H1         G  28  -1.390 -16.201  -0.665
  298   1H2     G  28          1H2         G  28   0.763 -15.929   0.014
  299   2H2     G  28          2H2         G  28   2.059 -15.775  -1.161
  300   1H5*    U  29          1H5*        U  29   4.739 -18.978  -5.388
  301   2H5*    U  29          2H5*        U  29   5.279 -20.629  -5.040
  302    H4*    U  29           H4*        U  29   5.243 -19.235  -3.019
  303    H3*    U  29           H3*        U  29   3.176 -21.468  -3.034
  304    H2*    U  29           H2*        U  29   2.732 -20.901  -0.771
  305   2HO*    U  29          2HO*        U  29   5.117 -20.367  -0.535
  306    H1*    U  29           H1*        U  29   2.580 -18.221  -1.237
  307    H3     U  29           H3         U  29  -1.819 -19.601  -0.802
  308    H5     U  29           H5         U  29  -0.839 -19.968  -4.870
  309    H6     U  29           H6         U  29   1.425 -19.637  -4.332
  310   1H5*    C  30          1H5*        C  30   5.619 -22.003   0.304
  311   2H5*    C  30          2H5*        C  30   5.906 -23.713   0.669
  312    H4*    C  30           H4*        C  30   4.830 -22.468   2.522
  313    H3*    C  30           H3*        C  30   3.143 -24.642   1.216
  314    H2*    C  30           H2*        C  30   1.565 -24.313   2.988
  315   2HO*    C  30          2HO*        C  30   3.623 -23.941   4.413
  316    H1*    C  30           H1*        C  30   1.867 -21.537   3.020
  317   1H4     C  30          1H4         C  30  -3.507 -22.342  -0.157
  318   2H4     C  30          2H4         C  30  -2.677 -22.567  -1.685
  319    H5     C  30           H5         C  30  -0.152 -22.924  -1.749
  320    H6     C  30           H6         C  30   1.838 -22.880  -0.406
  321    H3T    C  30           HE         C  30   3.976 -25.894   2.838
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1 -11.993 -22.915   6.702
    2   2H5*    G   1          2H5*        G   1 -12.166 -21.153   6.815
    3    H4*    G   1           H4*        G   1 -10.243 -21.947   8.129
    4    H3*    G   1           H3*        G   1  -9.539 -20.281   5.702
    5    H2*    G   1           H2*        G   1  -7.276 -20.313   6.537
    6   2HO*    G   1          2HO*        G   1  -8.172 -20.212   8.798
    7    H1*    G   1           H1*        G   1  -7.270 -22.975   7.097
    8    H8     G   1           H8         G   1  -9.298 -22.610   3.916
    9    H1     G   1           H1         G   1  -2.976 -21.891   2.994
   10   1H2     G   1          1H2         G   1  -1.943 -21.687   5.016
   11   2H2     G   1          2H2         G   1  -2.853 -21.801   6.517
   12   1H5*    G   2          1H5*        G   2  -7.495 -18.517   9.057
   13   2H5*    G   2          2H5*        G   2  -7.462 -16.758   8.878
   14    H4*    G   2           H4*        G   2  -5.161 -17.842   9.006
   15    H3*    G   2           H3*        G   2  -5.833 -16.307   6.485
   16    H2*    G   2           H2*        G   2  -3.511 -16.565   6.024
   17   2HO*    G   2          2HO*        G   2  -2.990 -16.244   8.351
   18    H1*    G   2           H1*        G   2  -3.408 -19.212   6.821
   19    H8     G   2           H8         G   2  -6.570 -18.809   4.810
   20    H1     G   2           H1         G   2  -1.221 -18.397   1.229
   21   1H2     G   2          1H2         G   2   0.566 -18.306   2.559
   22   2H2     G   2          2H2         G   2   0.413 -18.380   4.310
   23   1H5*    C   3          1H5*        C   3  -2.519 -14.584   8.551
   24   2H5*    C   3          2H5*        C   3  -2.235 -12.875   8.207
   25    H4*    C   3           H4*        C   3  -0.469 -14.612   7.522
   26    H3*    C   3           H3*        C   3  -1.550 -12.600   5.482
   27    H2*    C   3           H2*        C   3   0.110 -13.384   3.963
   28   2HO*    C   3          2HO*        C   3   1.649 -13.562   5.826
   29    H1*    C   3           H1*        C   3  -0.300 -16.031   4.542
   30   1H4     C   3          1H4         C   3  -4.063 -15.441  -0.467
   31   2H4     C   3          2H4         C   3  -5.413 -15.014   0.560
   32    H5     C   3           H5         C   3  -5.134 -14.543   2.998
   33    H6     C   3           H6         C   3  -3.560 -14.493   4.787
   34   1H5*    A   4          1H5*        A   4   2.602 -11.616   5.519
   35   2H5*    A   4          2H5*        A   4   2.806  -9.870   5.270
   36    H4*    A   4           H4*        A   4   3.785 -11.313   3.458
   37    H3*    A   4           H3*        A   4   1.541  -9.434   2.637
   38    H2*    A   4           H2*        A   4   2.033 -10.094   0.390
   39   2HO*    A   4          2HO*        A   4   4.358 -10.100   0.821
   40    H1*    A   4           H1*        A   4   2.251 -12.775   1.008
   41    H8     A   4           H8         A   4  -0.666 -11.451   3.013
   42   1H6     A   4          1H6         A   4  -4.008 -12.624  -2.099
   43   2H6     A   4          2H6         A   4  -4.062 -12.266  -0.378
   44    H2     A   4           H2         A   4   0.315 -12.665  -3.228
   45   1H5*    C   5          1H5*        C   5   5.075  -8.133   0.257
   46   2H5*    C   5          2H5*        C   5   4.890  -6.422  -0.183
   47    H4*    C   5           H4*        C   5   4.899  -8.080  -2.121
   48    H3*    C   5           H3*        C   5   2.440  -6.334  -1.763
   49    H2*    C   5           H2*        C   5   1.677  -7.308  -3.830
   50   2HO*    C   5          2HO*        C   5   4.004  -7.285  -4.583
   51    H1*    C   5           H1*        C   5   2.390  -9.880  -3.153
   52   1H4     C   5          1H4         C   5  -3.819  -9.258  -1.970
   53   2H4     C   5          2H4         C   5  -3.516  -8.574  -0.385
   54    H5     C   5           H5         C   5  -1.184  -8.085   0.423
   55    H6     C   5           H6         C   5   1.130  -8.098  -0.211
   56   1H5*    U   6          1H5*        U   6   3.265  -5.879  -5.884
   57   2H5*    U   6          2H5*        U   6   2.897  -4.259  -6.482
   58    H4*    U   6           H4*        U   6   1.593  -6.167  -7.524
   59    H3*    U   6           H3*        U   6   0.054  -3.920  -6.212
   60    H2*    U   6           H2*        U   6  -1.977  -5.018  -6.831
   61   2HO*    U   6          2HO*        U   6  -0.881  -5.651  -8.901
   62    H1*    U   6           H1*        U   6  -1.187  -7.526  -6.146
   63    H3     U   6           H3         U   6  -4.337  -6.250  -3.093
   64    H5     U   6           H5         U   6  -0.605  -5.213  -1.448
   65    H6     U   6           H6         U   6   0.390  -5.585  -3.577
   66   1H5*    C   7          1H5*        C   7  -0.797  -3.216 -10.513
   67   2H5*    C   7          2H5*        C   7  -0.945  -1.497 -10.930
   68    H4*    C   7           H4*        C   7  -3.187  -2.699 -10.563
   69    H3*    C   7           H3*        C   7  -2.457  -0.438  -8.669
   70    H2*    C   7           H2*        C   7  -4.617  -0.705  -7.749
   71   2HO*    C   7          2HO*        C   7  -5.814  -0.762  -9.652
   72    H1*    C   7           H1*        C   7  -4.688  -3.507  -8.241
   73   1H4     C   7          1H4         C   7  -4.393  -2.915  -1.969
   74   2H4     C   7          2H4         C   7  -2.641  -2.789  -1.945
   75    H5     C   7           H5         C   7  -1.333  -2.643  -4.175
   76    H6     C   7           H6         C   7  -1.625  -2.532  -6.550
   77   1H5*    U   8          1H5*        U   8  -6.351   0.168 -11.355
   78   2H5*    U   8          2H5*        U   8  -6.539   1.923 -11.527
   79    H4*    U   8           H4*        U   8  -8.655   0.753 -10.878
   80    H3*    U   8           H3*        U   8  -7.518   2.753  -8.898
   81    H2*    U   8           H2*        U   8  -9.567   2.440  -7.666
   82   2HO*    U   8          2HO*        U   8 -10.751   2.313  -9.760
   83    H1*    U   8           H1*        U   8  -9.602  -0.297  -7.949
   84    H3     U   8           H3         U   8  -8.746   0.389  -3.518
   85    H5     U   8           H5         U   8  -5.028   0.874  -5.443
   86    H6     U   8           H6         U   8  -6.172   0.883  -7.559
   87   1H5*    G   9          1H5*        G   9 -11.687   4.145  -9.624
   88   2H5*    G   9          2H5*        G   9 -11.720   5.898  -9.361
   89    H4*    G   9           H4*        G   9 -13.174   4.552  -7.796
   90    H3*    G   9           H3*        G   9 -10.966   6.213  -6.551
   91    H2*    G   9           H2*        G   9 -11.897   5.538  -4.407
   92   2HO*    G   9          2HO*        G   9 -14.105   5.626  -5.377
   93    H1*    G   9           H1*        G   9 -12.086   2.906  -5.068
   94    H8     G   9           H8         G   9  -8.905   4.290  -6.700
   95    H1     G   9           H1         G   9  -8.357   3.057  -0.419
   96   1H2     G   9          1H2         G   9 -10.429   2.896   0.497
   97   2H2     G   9          2H2         G   9 -11.851   2.820  -0.536
   98   1H5*    G  10          1H5*        G  10 -14.802   7.073  -4.462
   99   2H5*    G  10          2H5*        G  10 -14.809   8.731  -3.847
  100    H4*    G  10           H4*        G  10 -15.107   6.839  -2.134
  101    H3*    G  10           H3*        G  10 -12.967   8.943  -1.785
  102    H2*    G  10           H2*        G  10 -12.413   7.903   0.323
  103   2HO*    G  10          2HO*        G  10 -14.828   7.482   0.568
  104    H1*    G  10           H1*        G  10 -12.543   5.323  -0.603
  105    H8     G  10           H8         G  10 -10.854   7.143  -3.425
  106    H1     G  10           H1         G  10  -7.021   6.034   1.612
  107   1H2     G  10          1H2         G  10  -8.298   5.667   3.463
  108   2H2     G  10          2H2         G  10 -10.052   5.567   3.342
  109   1H5*    U  11          1H5*        U  11 -14.815   8.699   2.217
  110   2H5*    U  11          2H5*        U  11 -15.027  10.373   2.775
  111    H4*    U  11           H4*        U  11 -13.509   9.062   4.330
  112    H3*    U  11           H3*        U  11 -12.163  11.288   2.812
  113    H2*    U  11           H2*        U  11 -10.366  10.781   4.369
  114   2HO*    U  11          2HO*        U  11 -11.445  10.370   6.253
  115    H1*    U  11           H1*        U  11 -10.589   8.069   4.051
  116    H3     U  11           H3         U  11  -6.643   9.333   2.189
  117    H5     U  11           H5         U  11  -9.549  10.249  -0.734
  118    H6     U  11           H6         U  11 -11.257   9.775   0.887
  119   1H5*    A  12          1H5*        A  12 -12.741  12.397   7.178
  120   2H5*    A  12          2H5*        A  12 -12.316  14.073   7.584
  121    H4*    A  12           H4*        A  12 -10.784  12.185   8.471
  122    H3*    A  12           H3*        A  12  -9.561  14.427   6.879
  123    H2*    A  12           H2*        A  12  -7.447  13.372   7.289
  124   2HO*    A  12          2HO*        A  12  -7.845  12.853   9.480
  125    H1*    A  12           H1*        A  12  -8.411  10.771   6.743
  126    H8     A  12           H8         A  12  -9.926  13.180   4.324
  127   1H6     A  12          1H6         A  12  -4.858  12.546   0.870
  128   2H6     A  12          2H6         A  12  -6.538  13.049   0.941
  129    H2     A  12           H2         A  12  -3.871  11.141   5.029
  130   1H5*    U  13          1H5*        U  13  -6.247  15.946  11.085
  131   2H5*    U  13          2H5*        U  13  -6.340  16.498   9.415
  132    H4*    U  13           H4*        U  13  -4.711  14.218  10.558
  133    H3*    U  13           H3*        U  13  -4.363  16.645   8.793
  134    H2*    U  13           H2*        U  13  -2.648  15.676   7.543
  135   2HO*    U  13          2HO*        U  13  -1.639  13.747   8.144
  136    H1*    U  13           H1*        U  13  -3.841  13.227   7.255
  137    H3     U  13           H3         U  13  -4.397  15.050   3.130
  138    H5     U  13           H5         U  13  -7.740  16.193   5.438
  139    H6     U  13           H6         U  13  -6.500  15.600   7.403
  140   1H5*    C  14          1H5*        C  14  -0.699  16.320   9.409
  141   2H5*    C  14          2H5*        C  14   0.055  17.807  10.018
  142    H4*    C  14           H4*        C  14   1.085  17.334   7.918
  143    H3*    C  14           H3*        C  14  -1.052  19.428   7.466
  144    H2*    C  14           H2*        C  14  -0.028  19.649   5.253
  145   2HO*    C  14          2HO*        C  14   1.815  18.473   4.704
  146    H1*    C  14           H1*        C  14  -0.167  16.961   4.871
  147   1H4     C  14          1H4         C  14  -5.844  19.071   2.894
  148   2H4     C  14          2H4         C  14  -6.478  19.082   4.526
  149    H5     C  14           H5         C  14  -5.044  18.520   6.499
  150    H6     C  14           H6         C  14  -2.838  17.954   7.182
  151   1H5*    A  15          1H5*        A  15   0.011  22.826   6.189
  152   2H5*    A  15          2H5*        A  15   1.100  21.460   5.854
  153    H4*    A  15           H4*        A  15   1.519  24.417   5.558
  154    H3*    A  15           H3*        A  15   0.915  22.513   3.724
  155    H2*    A  15           H2*        A  15   2.565  20.947   4.264
  156   2HO*    A  15          2HO*        A  15   4.010  20.958   2.578
  157    H1*    A  15           H1*        A  15   4.685  23.034   4.430
  158    H8     A  15           H8         A  15   3.049  20.395   6.747
  159   1H6     A  15          1H6         A  15   8.828  18.405   7.726
  160   2H6     A  15          2H6         A  15   7.121  18.169   8.090
  161    H2     A  15           H2         A  15   9.020  21.859   4.896
  162   1H5*    C  16          1H5*        C  16   1.105  22.308   0.855
  163   2H5*    C  16          2H5*        C  16   1.114  23.781  -0.084
  164    H4*    C  16           H4*        C  16  -0.195  22.150  -1.173
  165    H3*    C  16           H3*        C  16  -1.324  24.612  -0.902
  166    H2*    C  16           H2*        C  16  -2.309  24.221   1.224
  167   2HO*    C  16          2HO*        C  16  -4.602  23.629   0.775
  168    H1*    C  16           H1*        C  16  -3.409  21.584   0.316
  169   1H4     C  16          1H4         C  16  -4.194  21.914   6.757
  170   2H4     C  16          2H4         C  16  -2.471  21.674   6.986
  171    H5     C  16           H5         C  16  -0.937  21.466   5.046
  172    H6     C  16           H6         C  16  -0.722  21.572   2.690
  173   1H5*    G  17          1H5*        G  17  -0.760  21.097  -4.585
  174   2H5*    G  17          2H5*        G  17  -0.622  20.940  -2.836
  175    H4*    G  17           H4*        G  17   1.663  21.598  -4.770
  176    H3*    G  17           H3*        G  17   0.907  19.116  -3.188
  177    H2*    G  17           H2*        G  17   3.167  18.667  -2.843
  178   2HO*    G  17          2HO*        G  17   3.378  19.297  -5.281
  179    H1*    G  17           H1*        G  17   4.023  21.378  -2.883
  180    H8     G  17           H8         G  17   5.437  20.594  -0.818
  181    H1     G  17           H1         G  17   0.221  18.452   2.238
  182   1H2     G  17          1H2         G  17  -1.506  18.360   0.863
  183   2H2     G  17          2H2         G  17  -1.385  18.958  -0.782
  184   1H5*    G  18          1H5*        G  18   3.295  17.026  -4.534
  185   2H5*    G  18          2H5*        G  18   2.785  15.366  -4.873
  186    H4*    G  18           H4*        G  18   4.118  15.964  -2.663
  187    H3*    G  18           H3*        G  18   1.719  14.127  -2.725
  188    H2*    G  18           H2*        G  18   2.080  13.788  -0.369
  189   2HO*    G  18          2HO*        G  18   4.492  13.932  -0.826
  190    H1*    G  18           H1*        G  18   2.485  16.429   0.226
  191    H8     G  18           H8         G  18  -0.225  16.091  -2.440
  192    H1     G  18           H1         G  18  -2.252  14.586   3.477
  193   1H2     G  18          1H2         G  18  -0.459  14.301   4.824
  194   2H2     G  18          2H2         G  18   1.170  14.645   4.267
  195   1H5*    U  19          1H5*        U  19   4.778  12.131  -0.310
  196   2H5*    U  19          2H5*        U  19   4.667  10.381  -0.506
  197    H4*    U  19           H4*        U  19   4.351  11.274   1.837
  198    H3*    U  19           H3*        U  19   2.113   9.567   0.680
  199    H2*    U  19           H2*        U  19   1.184   9.654   2.909
  200   2HO*    U  19          2HO*        U  19   3.336   9.556   3.889
  201    H1*    U  19           H1*        U  19   1.478  12.331   3.177
  202    H3     U  19           H3         U  19  -2.998  11.566   2.298
  203    H5     U  19           H5         U  19  -1.122  11.933  -1.455
  204    H6     U  19           H6         U  19   0.984  11.856  -0.367
  205   1H5*    A  20          1H5*        A  20   3.634   7.633   4.263
  206   2H5*    A  20          2H5*        A  20   3.447   5.872   4.190
  207    H4*    A  20           H4*        A  20   2.226   6.975   6.065
  208    H3*    A  20           H3*        A  20   0.469   5.466   4.065
  209    H2*    A  20           H2*        A  20  -1.314   5.955   5.533
  210   2HO*    A  20          2HO*        A  20   0.311   5.887   7.422
  211    H1*    A  20           H1*        A  20  -0.831   8.449   5.829
  212    H8     A  20           H8         A  20   0.384   7.861   2.221
  213   1H6     A  20          1H6         A  20  -5.394   8.961   0.440
  214   2H6     A  20          2H6         A  20  -3.725   8.727  -0.014
  215    H2     A  20           H2         A  20  -5.424   8.419   4.935
  216   1H5*    C  21          1H5*        C  21  -0.967   4.607   7.666
  217   2H5*    C  21          2H5*        C  21  -1.248   2.964   7.963
  218    H4*    C  21           H4*        C  21  -3.280   4.261   8.287
  219    H3*    C  21           H3*        C  21  -3.503   2.475   5.821
  220    H2*    C  21           H2*        C  21  -5.747   3.285   5.663
  221   2HO*    C  21          2HO*        C  21  -5.914   3.299   8.063
  222    H1*    C  21           H1*        C  21  -5.061   5.905   6.008
  223   1H4     C  21          1H4         C  21  -4.979   5.583  -0.222
  224   2H4     C  21          2H4         C  21  -3.271   5.182  -0.252
  225    H5     C  21           H5         C  21  -2.022   4.624   1.876
  226    H6     C  21           H6         C  21  -2.223   4.485   4.250
  227   1H5*    C  22          1H5*        C  22  -6.950   1.570   8.278
  228   2H5*    C  22          2H5*        C  22  -7.445  -0.124   8.077
  229    H4*    C  22           H4*        C  22  -9.152   1.598   7.319
  230    H3*    C  22           H3*        C  22  -8.083  -0.385   5.285
  231    H2*    C  22           H2*        C  22  -9.600   0.572   3.718
  232   2HO*    C  22          2HO*        C  22 -11.169   0.797   5.608
  233    H1*    C  22           H1*        C  22  -9.168   3.191   4.465
  234   1H4     C  22          1H4         C  22  -5.778   2.487  -0.796
  235   2H4     C  22          2H4         C  22  -4.384   1.885   0.077
  236    H5     C  22           H5         C  22  -4.468   1.500   2.583
  237    H6     C  22           H6         C  22  -5.888   1.549   4.500
  238   1H5*    U  23          1H5*        U  23 -12.285  -0.540   4.593
  239   2H5*    U  23          2H5*        U  23 -12.762  -2.203   4.215
  240    H4*    U  23           H4*        U  23 -13.165  -0.552   2.365
  241    H3*    U  23           H3*        U  23 -11.255  -2.838   1.812
  242    H2*    U  23           H2*        U  23 -11.220  -2.054  -0.485
  243   2HO*    U  23          2HO*        U  23 -13.539  -1.544  -0.379
  244    H1*    U  23           H1*        U  23 -11.033   0.590   0.178
  245    H3     U  23           H3         U  23  -6.956  -0.245  -1.569
  246    H5     U  23           H5         U  23  -6.759  -1.834   2.327
  247    H6     U  23           H6         U  23  -9.120  -1.454   2.548
  248   1H5*    U  24          1H5*        U  24 -14.498  -2.731  -1.308
  249   2H5*    U  24          2H5*        U  24 -14.780  -4.378  -1.892
  250    H4*    U  24           H4*        U  24 -14.120  -2.728  -3.683
  251    H3*    U  24           H3*        U  24 -12.284  -5.096  -3.200
  252    H2*    U  24           H2*        U  24 -11.136  -4.374  -5.213
  253   2HO*    U  24          2HO*        U  24 -13.315  -3.743  -6.109
  254    H1*    U  24           H1*        U  24 -11.156  -1.713  -4.504
  255    H3     U  24           H3         U  24  -6.792  -2.853  -4.140
  256    H5     U  24           H5         U  24  -8.539  -4.433  -0.671
  257    H6     U  24           H6         U  24 -10.728  -3.959  -1.598
  258   1H5*    U  25          1H5*        U  25 -13.126  -5.164  -7.417
  259   2H5*    U  25          2H5*        U  25 -13.263  -6.847  -7.949
  260    H4*    U  25           H4*        U  25 -11.499  -5.596  -9.156
  261    H3*    U  25           H3*        U  25 -10.487  -7.869  -7.398
  262    H2*    U  25           H2*        U  25  -8.382  -7.510  -8.451
  263   2HO*    U  25          2HO*        U  25  -9.504  -7.106 -10.532
  264    H1*    U  25           H1*        U  25  -8.516  -4.761  -8.268
  265    H3     U  25           H3         U  25  -5.283  -6.015  -5.296
  266    H5     U  25           H5         U  25  -8.879  -6.713  -3.270
  267    H6     U  25           H6         U  25 -10.080  -6.294  -5.328
  268   1H5*    G  26          1H5*        G  26  -9.390  -9.043 -11.362
  269   2H5*    G  26          2H5*        G  26  -9.399 -10.812 -11.507
  270    H4*    G  26           H4*        G  26  -7.148  -9.735 -11.837
  271    H3*    G  26           H3*        G  26  -7.436 -11.639  -9.492
  272    H2*    G  26           H2*        G  26  -5.035 -11.400  -9.235
  273   2HO*    G  26          2HO*        G  26  -4.811 -11.338 -11.629
  274    H1*    G  26           H1*        G  26  -5.087  -8.662  -9.551
  275    H8     G  26           H8         G  26  -8.121  -9.453  -7.448
  276    H1     G  26           H1         G  26  -2.550  -9.856  -4.248
  277   1H2     G  26          1H2         G  26  -0.829  -9.980  -5.759
  278   2H2     G  26          2H2         G  26  -1.142  -9.831  -7.481
  279   1H5*    U  27          1H5*        U  27  -4.071 -13.019 -12.052
  280   2H5*    U  27          2H5*        U  27  -3.944 -14.783 -11.972
  281    H4*    U  27           H4*        U  27  -1.869 -13.518 -11.294
  282    H3*    U  27           H3*        U  27  -3.113 -15.317  -9.181
  283    H2*    U  27           H2*        U  27  -1.122 -14.877  -7.932
  284   2HO*    U  27          2HO*        U  27   0.274 -14.890  -9.809
  285    H1*    U  27           H1*        U  27  -1.197 -12.190  -8.365
  286    H3     U  27           H3         U  27  -2.342 -13.018  -3.994
  287    H5     U  27           H5         U  27  -5.921 -13.371  -6.178
  288    H6     U  27           H6         U  27  -4.638 -13.312  -8.206
  289   1H5*    G  28          1H5*        G  28   1.084 -16.677  -9.922
  290   2H5*    G  28          2H5*        G  28   1.303 -18.349  -9.378
  291    H4*    G  28           H4*        G  28   2.672 -16.501  -8.215
  292    H3*    G  28           H3*        G  28   1.083 -18.414  -6.534
  293    H2*    G  28           H2*        G  28   2.065 -17.270  -4.628
  294   2HO*    G  28          2HO*        G  28   3.633 -15.718  -4.846
  295    H1*    G  28           H1*        G  28   1.478 -14.773  -5.561
  296    H8     G  28           H8         G  28  -1.504 -16.627  -6.784
  297    H1     G  28           H1         G  28  -1.578 -15.725  -0.429
  298   1H2     G  28          1H2         G  28   0.539 -15.363   0.322
  299   2H2     G  28          2H2         G  28   1.866 -15.162  -0.811
  300   1H5*    U  29          1H5*        U  29   4.816 -18.294  -4.846
  301   2H5*    U  29          2H5*        U  29   5.474 -19.876  -4.395
  302    H4*    U  29           H4*        U  29   5.286 -18.388  -2.449
  303    H3*    U  29           H3*        U  29   3.406 -20.779  -2.397
  304    H2*    U  29           H2*        U  29   2.804 -20.134  -0.194
  305   2HO*    U  29          2HO*        U  29   5.133 -19.387   0.104
  306    H1*    U  29           H1*        U  29   2.474 -17.500  -0.796
  307    H3     U  29           H3         U  29  -1.839 -19.116  -0.486
  308    H5     U  29           H5         U  29  -0.659 -19.596  -4.489
  309    H6     U  29           H6         U  29   1.552 -19.118  -3.871
  310   1H5*    C  30          1H5*        C  30   5.629 -20.961   1.101
  311   2H5*    C  30          2H5*        C  30   6.084 -22.626   1.498
  312    H4*    C  30           H4*        C  30   4.759 -21.552   3.275
  313    H3*    C  30           H3*        C  30   3.358 -23.830   1.815
  314    H2*    C  30           H2*        C  30   1.651 -23.683   3.483
  315   2HO*    C  30          2HO*        C  30   3.575 -23.206   5.049
  316    H1*    C  30           H1*        C  30   1.745 -20.886   3.622
  317   1H4     C  30          1H4         C  30  -3.406 -21.930   0.165
  318   2H4     C  30          2H4         C  30  -2.492 -22.080  -1.324
  319    H5     C  30           H5         C  30   0.052 -22.305  -1.267
  320    H6     C  30           H6         C  30   1.969 -22.159   0.177
  321    H3T    C  30           HE         C  30   4.235 -25.062   3.401
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1 -11.093 -23.504   7.253
    2   2H5*    G   1          2H5*        G   1 -11.383 -21.761   7.414
    3    H4*    G   1           H4*        G   1  -9.327 -22.432   8.587
    4    H3*    G   1           H3*        G   1  -8.901 -20.685   6.154
    5    H2*    G   1           H2*        G   1  -6.592 -20.569   6.843
    6   2HO*    G   1          2HO*        G   1  -7.359 -20.559   9.158
    7    H1*    G   1           H1*        G   1  -6.370 -23.227   7.387
    8    H8     G   1           H8         G   1  -8.570 -22.973   4.302
    9    H1     G   1           H1         G   1  -2.338 -21.921   3.119
   10   1H2     G   1          1H2         G   1  -1.246 -21.612   5.103
   11   2H2     G   1          2H2         G   1  -2.093 -21.778   6.636
   12   1H5*    G   2          1H5*        G   2  -6.777 -18.829   9.407
   13   2H5*    G   2          2H5*        G   2  -6.886 -17.072   9.257
   14    H4*    G   2           H4*        G   2  -4.517 -17.969   9.229
   15    H3*    G   2           H3*        G   2  -5.436 -16.513   6.734
   16    H2*    G   2           H2*        G   2  -3.124 -16.568   6.175
   17   2HO*    G   2          2HO*        G   2  -2.499 -16.154   8.440
   18    H1*    G   2           H1*        G   2  -2.764 -19.191   7.011
   19    H8     G   2           H8         G   2  -5.992 -19.115   5.083
   20    H1     G   2           H1         G   2  -0.804 -18.260   1.342
   21   1H2     G   2          1H2         G   2   1.002 -17.989   2.619
   22   2H2     G   2          2H2         G   2   0.903 -18.030   4.376
   23   1H5*    C   3          1H5*        C   3  -2.224 -14.435   8.669
   24   2H5*    C   3          2H5*        C   3  -2.110 -12.716   8.273
   25    H4*    C   3           H4*        C   3  -0.210 -14.317   7.579
   26    H3*    C   3           H3*        C   3  -1.494 -12.439   5.534
   27    H2*    C   3           H2*        C   3   0.198 -13.126   3.995
   28   2HO*    C   3          2HO*        C   3   1.785 -13.144   5.819
   29    H1*    C   3           H1*        C   3  -0.004 -15.782   4.631
   30   1H4     C   3          1H4         C   3  -3.888 -15.589  -0.313
   31   2H4     C   3          2H4         C   3  -5.248 -15.254   0.735
   32    H5     C   3           H5         C   3  -4.962 -14.702   3.153
   33    H6     C   3           H6         C   3  -3.366 -14.491   4.910
   34   1H5*    A   4          1H5*        A   4   2.584 -11.121   5.550
   35   2H5*    A   4          2H5*        A   4   2.656  -9.375   5.240
   36    H4*    A   4           H4*        A   4   3.756 -10.814   3.494
   37    H3*    A   4           H3*        A   4   1.416  -9.100   2.591
   38    H2*    A   4           H2*        A   4   1.944  -9.807   0.370
   39   2HO*    A   4          2HO*        A   4   4.277  -9.676   0.845
   40    H1*    A   4           H1*        A   4   2.296 -12.443   1.053
   41    H8     A   4           H8         A   4  -0.646 -11.210   3.092
   42   1H6     A   4          1H6         A   4  -4.030 -12.717  -1.892
   43   2H6     A   4          2H6         A   4  -4.058 -12.303  -0.183
   44    H2     A   4           H2         A   4   0.267 -12.570  -3.128
   45   1H5*    C   5          1H5*        C   5   4.837  -7.714   0.110
   46   2H5*    C   5          2H5*        C   5   4.548  -6.033  -0.381
   47    H4*    C   5           H4*        C   5   4.617  -7.750  -2.259
   48    H3*    C   5           H3*        C   5   2.061  -6.141  -1.931
   49    H2*    C   5           H2*        C   5   1.359  -7.219  -3.980
   50   2HO*    C   5          2HO*        C   5   3.686  -7.103  -4.724
   51    H1*    C   5           H1*        C   5   2.186  -9.721  -3.194
   52   1H4     C   5          1H4         C   5  -4.038  -9.269  -1.931
   53   2H4     C   5          2H4         C   5  -3.726  -8.500  -0.391
   54    H5     C   5           H5         C   5  -1.395  -7.953   0.381
   55    H6     C   5           H6         C   5   0.904  -7.907  -0.291
   56   1H5*    U   6          1H5*        U   6   2.858  -5.812  -6.022
   57   2H5*    U   6          2H5*        U   6   2.488  -4.223  -6.689
   58    H4*    U   6           H4*        U   6   1.215  -6.154  -7.705
   59    H3*    U   6           H3*        U   6  -0.364  -3.913  -6.430
   60    H2*    U   6           H2*        U   6  -2.380  -5.044  -7.030
   61   2HO*    U   6          2HO*        U   6  -1.261  -5.676  -9.096
   62    H1*    U   6           H1*        U   6  -1.552  -7.547  -6.348
   63    H3     U   6           H3         U   6  -4.756  -6.255  -3.325
   64    H5     U   6           H5         U   6  -1.049  -5.169  -1.663
   65    H6     U   6           H6         U   6  -0.030  -5.567  -3.774
   66   1H5*    C   7          1H5*        C   7  -1.129  -3.234 -10.765
   67   2H5*    C   7          2H5*        C   7  -1.284  -1.518 -11.188
   68    H4*    C   7           H4*        C   7  -3.519  -2.680 -10.798
   69    H3*    C   7           H3*        C   7  -2.744  -0.480  -8.852
   70    H2*    C   7           H2*        C   7  -4.917  -0.712  -7.957
   71   2HO*    C   7          2HO*        C   7  -6.068  -0.696  -9.906
   72    H1*    C   7           H1*        C   7  -5.036  -3.511  -8.498
   73   1H4     C   7          1H4         C   7  -4.799  -2.953  -2.212
   74   2H4     C   7          2H4         C   7  -3.060  -2.707  -2.176
   75    H5     C   7           H5         C   7  -1.737  -2.541  -4.382
   76    H6     C   7           H6         C   7  -1.998  -2.461  -6.765
   77   1H5*    U   8          1H5*        U   8  -6.540   0.302 -11.607
   78   2H5*    U   8          2H5*        U   8  -6.657   2.066 -11.764
   79    H4*    U   8           H4*        U   8  -8.838   0.978 -11.197
   80    H3*    U   8           H3*        U   8  -7.671   2.900  -9.160
   81    H2*    U   8           H2*        U   8  -9.754   2.654  -7.972
   82   2HO*    U   8          2HO*        U   8 -10.904   2.633 -10.083
   83    H1*    U   8           H1*        U   8  -9.922  -0.074  -8.329
   84    H3     U   8           H3         U   8  -9.167   0.400  -3.851
   85    H5     U   8           H5         U   8  -5.378   0.808  -5.648
   86    H6     U   8           H6         U   8  -6.454   0.940  -7.795
   87   1H5*    G   9          1H5*        G   9 -11.736   4.505 -10.014
   88   2H5*    G   9          2H5*        G   9 -11.690   6.260  -9.757
   89    H4*    G   9           H4*        G   9 -13.249   5.003  -8.220
   90    H3*    G   9           H3*        G   9 -10.975   6.547  -6.946
   91    H2*    G   9           H2*        G   9 -11.954   5.931  -4.809
   92   2HO*    G   9          2HO*        G   9 -14.147   6.142  -5.812
   93    H1*    G   9           H1*        G   9 -12.304   3.311  -5.466
   94    H8     G   9           H8         G   9  -9.019   4.507  -7.055
   95    H1     G   9           H1         G   9  -8.618   3.153  -0.791
   96   1H2     G   9          1H2         G   9 -10.704   3.133   0.109
   97   2H2     G   9          2H2         G   9 -12.117   3.161  -0.939
   98   1H5*    G  10          1H5*        G  10 -14.755   7.656  -4.882
   99   2H5*    G  10          2H5*        G  10 -14.661   9.331  -4.320
  100    H4*    G  10           H4*        G  10 -15.062   7.557  -2.531
  101    H3*    G  10           H3*        G  10 -12.697   9.429  -2.293
  102    H2*    G  10           H2*        G  10 -12.269   8.412  -0.138
  103   2HO*    G  10          2HO*        G  10 -14.682   8.279   0.164
  104    H1*    G  10           H1*        G  10 -12.660   5.839  -0.987
  105    H8     G  10           H8         G  10 -10.807   7.487  -3.836
  106    H1     G  10           H1         G  10  -7.085   6.078   1.212
  107   1H2     G  10          1H2         G  10  -8.391   5.810   3.057
  108   2H2     G  10          2H2         G  10 -10.147   5.789   2.918
  109   1H5*    U  11          1H5*        U  11 -14.789   9.533   1.632
  110   2H5*    U  11          2H5*        U  11 -14.710  11.190   2.261
  111    H4*    U  11           H4*        U  11 -13.597   9.466   3.779
  112    H3*    U  11           H3*        U  11 -11.834  11.644   2.674
  113    H2*    U  11           H2*        U  11 -10.208  10.707   4.200
  114   2HO*    U  11          2HO*        U  11 -11.709  10.299   5.902
  115    H1*    U  11           H1*        U  11 -10.703   8.117   3.522
  116    H3     U  11           H3         U  11  -6.592   9.286   1.937
  117    H5     U  11           H5         U  11  -9.318  10.638  -0.985
  118    H6     U  11           H6         U  11 -11.105  10.178   0.540
  119   1H5*    A  12          1H5*        A  12 -12.867  12.693   6.998
  120   2H5*    A  12          2H5*        A  12 -12.301  14.296   7.500
  121    H4*    A  12           H4*        A  12 -10.921  12.259   8.255
  122    H3*    A  12           H3*        A  12  -9.578  14.505   6.768
  123    H2*    A  12           H2*        A  12  -7.521  13.344   7.168
  124   2HO*    A  12          2HO*        A  12  -7.974  12.768   9.335
  125    H1*    A  12           H1*        A  12  -8.569  10.820   6.531
  126    H8     A  12           H8         A  12  -9.967  13.349   4.170
  127   1H6     A  12          1H6         A  12  -4.874  12.595   0.760
  128   2H6     A  12          2H6         A  12  -6.532  13.173   0.818
  129    H2     A  12           H2         A  12  -4.006  11.050   4.891
  130   1H5*    U  13          1H5*        U  13  -6.289  15.645  11.143
  131   2H5*    U  13          2H5*        U  13  -6.313  16.308   9.511
  132    H4*    U  13           H4*        U  13  -4.819  13.890  10.546
  133    H3*    U  13           H3*        U  13  -4.333  16.369   8.884
  134    H2*    U  13           H2*        U  13  -2.631  15.370   7.641
  135   2HO*    U  13          2HO*        U  13  -1.736  13.369   8.186
  136    H1*    U  13           H1*        U  13  -3.941  12.996   7.232
  137    H3     U  13           H3         U  13  -4.334  14.971   3.166
  138    H5     U  13           H5         U  13  -7.637  16.245   5.458
  139    H6     U  13           H6         U  13  -6.471  15.522   7.425
  140   1H5*    C  14          1H5*        C  14  -0.681  15.922   9.600
  141   2H5*    C  14          2H5*        C  14   0.082  17.382  10.262
  142    H4*    C  14           H4*        C  14   1.158  16.931   8.180
  143    H3*    C  14           H3*        C  14  -0.929  19.069   7.703
  144    H2*    C  14           H2*        C  14   0.187  19.320   5.528
  145   2HO*    C  14          2HO*        C  14   1.983  18.037   5.010
  146    H1*    C  14           H1*        C  14  -0.017  16.637   5.094
  147   1H4     C  14          1H4         C  14  -5.534  19.069   3.008
  148   2H4     C  14          2H4         C  14  -6.224  19.049   4.617
  149    H5     C  14           H5         C  14  -4.888  18.333   6.614
  150    H6     C  14           H6         C  14  -2.733  17.648   7.346
  151   1H5*    A  15          1H5*        A  15   0.250  22.442   6.418
  152   2H5*    A  15          2H5*        A  15   1.336  21.059   6.149
  153    H4*    A  15           H4*        A  15   1.827  24.011   5.864
  154    H3*    A  15           H3*        A  15   1.259  22.119   3.997
  155    H2*    A  15           H2*        A  15   2.868  20.516   4.626
  156   2HO*    A  15          2HO*        A  15   3.754  22.264   2.648
  157    H1*    A  15           H1*        A  15   4.942  22.681   4.814
  158    H8     A  15           H8         A  15   4.025  19.153   5.834
  159   1H6     A  15          1H6         A  15   9.141  19.183   9.302
  160   2H6     A  15          2H6         A  15   7.805  18.220   8.677
  161    H2     A  15           H2         A  15   8.519  23.327   7.767
  162   1H5*    C  16          1H5*        C  16   1.441  21.891   1.178
  163   2H5*    C  16          2H5*        C  16   1.680  23.351   0.248
  164    H4*    C  16           H4*        C  16   0.253  21.940  -0.939
  165    H3*    C  16           H3*        C  16  -0.624  24.492  -0.604
  166    H2*    C  16           H2*        C  16  -1.771  24.158   1.458
  167   2HO*    C  16          2HO*        C  16  -3.402  23.916  -0.792
  168    H1*    C  16           H1*        C  16  -3.090  21.682   0.423
  169   1H4     C  16          1H4         C  16  -3.984  21.683   6.842
  170   2H4     C  16          2H4         C  16  -2.276  21.389   7.110
  171    H5     C  16           H5         C  16  -0.705  21.160   5.190
  172    H6     C  16           H6         C  16  -0.428  21.387   2.850
  173   1H5*    G  17          1H5*        G  17  -0.167  21.160  -4.427
  174   2H5*    G  17          2H5*        G  17  -0.219  20.915  -2.683
  175    H4*    G  17           H4*        G  17   2.278  21.524  -4.347
  176    H3*    G  17           H3*        G  17   1.290  19.024  -2.916
  177    H2*    G  17           H2*        G  17   3.530  18.469  -2.509
  178   2HO*    G  17          2HO*        G  17   3.866  19.191  -4.900
  179    H1*    G  17           H1*        G  17   4.448  21.171  -2.402
  180    H8     G  17           H8         G  17   5.827  20.196  -0.415
  181    H1     G  17           H1         G  17   0.553  18.057   2.542
  182   1H2     G  17          1H2         G  17  -1.193  18.206   1.219
  183   2H2     G  17          2H2         G  17  -1.069  18.918  -0.380
  184   1H5*    G  18          1H5*        G  18   3.634  16.901  -4.254
  185   2H5*    G  18          2H5*        G  18   3.087  15.273  -4.675
  186    H4*    G  18           H4*        G  18   4.340  15.749  -2.389
  187    H3*    G  18           H3*        G  18   1.883  14.001  -2.620
  188    H2*    G  18           H2*        G  18   2.142  13.562  -0.267
  189   2HO*    G  18          2HO*        G  18   4.575  13.633  -0.626
  190    H1*    G  18           H1*        G  18   2.635  16.159   0.444
  191    H8     G  18           H8         G  18  -0.017  16.044  -2.292
  192    H1     G  18           H1         G  18  -2.234  14.396   3.519
  193   1H2     G  18          1H2         G  18  -0.487  13.983   4.890
  194   2H2     G  18          2H2         G  18   1.166  14.280   4.379
  195   1H5*    U  19          1H5*        U  19   4.816  11.844  -0.180
  196   2H5*    U  19          2H5*        U  19   4.662  10.103  -0.422
  197    H4*    U  19           H4*        U  19   4.304  10.967   1.937
  198    H3*    U  19           H3*        U  19   2.095   9.303   0.671
  199    H2*    U  19           H2*        U  19   1.086   9.358   2.865
  200   2HO*    U  19          2HO*        U  19   3.171   9.192   3.940
  201    H1*    U  19           H1*        U  19   1.418  12.022   3.219
  202    H3     U  19           H3         U  19  -3.054  11.466   2.232
  203    H5     U  19           H5         U  19  -1.088  11.835  -1.472
  204    H6     U  19           H6         U  19   0.993  11.620  -0.348
  205   1H5*    A  20          1H5*        A  20   3.566   7.192   4.214
  206   2H5*    A  20          2H5*        A  20   3.316   5.441   4.086
  207    H4*    A  20           H4*        A  20   2.092   6.546   5.963
  208    H3*    A  20           H3*        A  20   0.318   5.157   3.892
  209    H2*    A  20           H2*        A  20  -1.470   5.695   5.330
  210   2HO*    A  20          2HO*        A  20   0.092   5.512   7.257
  211    H1*    A  20           H1*        A  20  -0.894   8.157   5.689
  212    H8     A  20           H8         A  20   0.359   7.512   2.099
  213   1H6     A  20          1H6         A  20  -5.296   8.972   0.209
  214   2H6     A  20          2H6         A  20  -3.644   8.593  -0.215
  215    H2     A  20           H2         A  20  -5.440   8.464   4.708
  216   1H5*    C  21          1H5*        C  21  -1.219   4.290   7.483
  217   2H5*    C  21          2H5*        C  21  -1.646   2.665   7.708
  218    H4*    C  21           H4*        C  21  -3.561   4.130   8.043
  219    H3*    C  21           H3*        C  21  -3.887   2.403   5.549
  220    H2*    C  21           H2*        C  21  -6.071   3.373   5.395
  221   2HO*    C  21          2HO*        C  21  -6.232   3.383   7.802
  222    H1*    C  21           H1*        C  21  -5.202   5.927   5.754
  223   1H4     C  21          1H4         C  21  -5.089   5.537  -0.491
  224   2H4     C  21          2H4         C  21  -3.408   5.034  -0.493
  225    H5     C  21           H5         C  21  -2.213   4.437   1.649
  226    H6     C  21           H6         C  21  -2.437   4.336   4.021
  227   1H5*    C  22          1H5*        C  22  -7.402   1.827   7.986
  228   2H5*    C  22          2H5*        C  22  -8.063   0.190   7.807
  229    H4*    C  22           H4*        C  22  -9.597   2.069   7.040
  230    H3*    C  22           H3*        C  22  -8.746  -0.056   5.049
  231    H2*    C  22           H2*        C  22 -10.186   1.009   3.462
  232   2HO*    C  22          2HO*        C  22 -11.690   1.454   5.372
  233    H1*    C  22           H1*        C  22  -9.463   3.582   4.121
  234   1H4     C  22          1H4         C  22  -6.136   2.465  -1.088
  235   2H4     C  22          2H4         C  22  -4.799   1.774  -0.195
  236    H5     C  22           H5         C  22  -4.914   1.492   2.330
  237    H6     C  22           H6         C  22  -6.341   1.680   4.229
  238   1H5*    U  23          1H5*        U  23 -12.865   0.155   4.221
  239   2H5*    U  23          2H5*        U  23 -13.483  -1.486   3.970
  240    H4*    U  23           H4*        U  23 -13.721  -0.050   1.959
  241    H3*    U  23           H3*        U  23 -11.812  -2.393   1.689
  242    H2*    U  23           H2*        U  23 -11.712  -1.821  -0.669
  243   2HO*    U  23          2HO*        U  23 -14.039  -1.270  -0.644
  244    H1*    U  23           H1*        U  23 -11.506   0.870  -0.223
  245    H3     U  23           H3         U  23  -7.415  -0.245  -1.791
  246    H5     U  23           H5         U  23  -7.375  -1.568   2.210
  247    H6     U  23           H6         U  23  -9.718  -1.042   2.353
  248   1H5*    U  24          1H5*        U  24 -14.913  -2.542  -1.512
  249   2H5*    U  24          2H5*        U  24 -15.198  -4.227  -1.968
  250    H4*    U  24           H4*        U  24 -14.479  -2.731  -3.867
  251    H3*    U  24           H3*        U  24 -12.677  -5.067  -3.152
  252    H2*    U  24           H2*        U  24 -11.504  -4.535  -5.207
  253   2HO*    U  24          2HO*        U  24 -13.666  -4.001  -6.187
  254    H1*    U  24           H1*        U  24 -11.546  -1.800  -4.741
  255    H3     U  24           H3         U  24  -7.163  -2.898  -4.317
  256    H5     U  24           H5         U  24  -8.897  -4.350  -0.788
  257    H6     U  24           H6         U  24 -11.094  -3.858  -1.699
  258   1H5*    U  25          1H5*        U  25 -13.649  -5.587  -7.342
  259   2H5*    U  25          2H5*        U  25 -13.789  -7.319  -7.684
  260    H4*    U  25           H4*        U  25 -12.071  -6.193  -9.071
  261    H3*    U  25           H3*        U  25 -10.965  -8.254  -7.116
  262    H2*    U  25           H2*        U  25  -8.907  -7.971  -8.283
  263   2HO*    U  25          2HO*        U  25 -10.076  -7.803 -10.356
  264    H1*    U  25           H1*        U  25  -9.078  -5.227  -8.356
  265    H3     U  25           H3         U  25  -5.740  -6.201  -5.381
  266    H5     U  25           H5         U  25  -9.271  -6.803  -3.207
  267    H6     U  25           H6         U  25 -10.534  -6.523  -5.246
  268   1H5*    G  26          1H5*        G  26  -9.968  -9.732 -11.022
  269   2H5*    G  26          2H5*        G  26  -9.862 -11.503 -11.019
  270    H4*    G  26           H4*        G  26  -7.719 -10.275 -11.566
  271    H3*    G  26           H3*        G  26  -7.745 -12.106  -9.151
  272    H2*    G  26           H2*        G  26  -5.364 -11.675  -8.986
  273   2HO*    G  26          2HO*        G  26  -5.242 -11.672 -11.394
  274    H1*    G  26           H1*        G  26  -5.608  -8.968  -9.377
  275    H8     G  26           H8         G  26  -8.567  -9.811  -7.189
  276    H1     G  26           H1         G  26  -2.928  -9.884  -4.084
  277   1H2     G  26          1H2         G  26  -1.226  -9.976  -5.622
  278   2H2     G  26          2H2         G  26  -1.583  -9.901  -7.340
  279   1H5*    U  27          1H5*        U  27  -4.349 -13.251 -11.820
  280   2H5*    U  27          2H5*        U  27  -4.088 -15.000 -11.733
  281    H4*    U  27           H4*        U  27  -2.085 -13.576 -11.147
  282    H3*    U  27           H3*        U  27  -3.111 -15.459  -8.993
  283    H2*    U  27           H2*        U  27  -1.128 -14.867  -7.802
  284   2HO*    U  27          2HO*        U  27   0.217 -14.787  -9.709
  285    H1*    U  27           H1*        U  27  -1.406 -12.193  -8.238
  286    H3     U  27           H3         U  27  -2.371 -13.032  -3.833
  287    H5     U  27           H5         U  27  -5.975 -13.665  -5.910
  288    H6     U  27           H6         U  27  -4.753 -13.554  -7.973
  289   1H5*    G  28          1H5*        G  28   1.147 -16.520  -9.852
  290   2H5*    G  28          2H5*        G  28   1.482 -18.180  -9.330
  291    H4*    G  28           H4*        G  28   2.761 -16.275  -8.173
  292    H3*    G  28           H3*        G  28   1.294 -18.260  -6.465
  293    H2*    G  28           H2*        G  28   2.272 -17.066  -4.583
  294   2HO*    G  28          2HO*        G  28   3.762 -15.450  -4.841
  295    H1*    G  28           H1*        G  28   1.532 -14.608  -5.502
  296    H8     G  28           H8         G  28  -1.358 -16.650  -6.663
  297    H1     G  28           H1         G  28  -1.380 -15.698  -0.315
  298   1H2     G  28          1H2         G  28   0.723 -15.182   0.392
  299   2H2     G  28          2H2         G  28   2.015 -14.918  -0.768
  300   1H5*    U  29          1H5*        U  29   5.069 -17.987  -4.888
  301   2H5*    U  29          2H5*        U  29   5.801 -19.540  -4.447
  302    H4*    U  29           H4*        U  29   5.609 -18.052  -2.502
  303    H3*    U  29           H3*        U  29   3.812 -20.501  -2.394
  304    H2*    U  29           H2*        U  29   3.253 -19.862  -0.175
  305   2HO*    U  29          2HO*        U  29   5.550 -19.039   0.076
  306    H1*    U  29           H1*        U  29   2.802 -17.250  -0.786
  307    H3     U  29           H3         U  29  -1.410 -19.115  -0.332
  308    H5     U  29           H5         U  29  -0.333 -19.523  -4.371
  309    H6     U  29           H6         U  29   1.864 -18.922  -3.824
  310   1H5*    C  30          1H5*        C  30   6.208 -20.545   1.037
  311   2H5*    C  30          2H5*        C  30   6.691 -22.186   1.496
  312    H4*    C  30           H4*        C  30   5.392 -20.979   3.252
  313    H3*    C  30           H3*        C  30   4.103 -23.460   2.041
  314    H2*    C  30           H2*        C  30   2.375 -23.244   3.658
  315   2HO*    C  30          2HO*        C  30   2.603 -21.841   5.447
  316    H1*    C  30           H1*        C  30   2.333 -20.429   3.581
  317   1H4     C  30          1H4         C  30  -2.819 -22.031   0.366
  318   2H4     C  30          2H4         C  30  -1.929 -22.194  -1.136
  319    H5     C  30           H5         C  30   0.618 -22.252  -1.142
  320    H6     C  30           H6         C  30   2.561 -21.909   0.233
  321    H3T    C  30           HE         C  30   5.085 -23.165   4.637
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1 -11.542 -22.323   6.057
    2   2H5*    G   1          2H5*        G   1 -11.243 -20.590   6.287
    3    H4*    G   1           H4*        G   1  -9.646 -21.934   7.564
    4    H3*    G   1           H3*        G   1  -8.423 -20.439   5.225
    5    H2*    G   1           H2*        G   1  -6.285 -21.090   6.181
    6   2HO*    G   1          2HO*        G   1  -7.144 -20.889   8.396
    7    H1*    G   1           H1*        G   1  -6.994 -23.686   6.410
    8    H8     G   1           H8         G   1  -8.917 -22.680   3.358
    9    H1     G   1           H1         G   1  -2.584 -22.505   2.283
   10   1H2     G   1          1H2         G   1  -1.475 -22.782   4.252
   11   2H2     G   1          2H2         G   1  -2.346 -23.121   5.742
   12   1H5*    G   2          1H5*        G   2  -6.347 -19.270   8.824
   13   2H5*    G   2          2H5*        G   2  -5.805 -17.594   8.739
   14    H4*    G   2           H4*        G   2  -4.039 -19.435   9.158
   15    H3*    G   2           H3*        G   2  -3.644 -17.402   6.976
   16    H2*    G   2           H2*        G   2  -1.541 -18.404   6.480
   17   2HO*    G   2          2HO*        G   2  -1.282 -18.899   8.833
   18    H1*    G   2           H1*        G   2  -2.508 -20.938   6.391
   19    H8     G   2           H8         G   2  -5.543 -19.577   4.939
   20    H1     G   2           H1         G   2  -0.539 -18.545   1.057
   21   1H2     G   2          1H2         G   2   1.370 -18.721   2.210
   22   2H2     G   2          2H2         G   2   1.374 -19.063   3.938
   23   1H5*    C   3          1H5*        C   3  -3.085 -13.417   8.124
   24   2H5*    C   3          2H5*        C   3  -3.833 -14.008   6.648
   25    H4*    C   3           H4*        C   3  -1.120 -14.839   7.789
   26    H3*    C   3           H3*        C   3  -2.105 -13.158   5.462
   27    H2*    C   3           H2*        C   3  -0.113 -13.707   4.271
   28   2HO*    C   3          2HO*        C   3   1.036 -13.732   6.456
   29    H1*    C   3           H1*        C   3  -0.321 -16.370   4.761
   30   1H4     C   3          1H4         C   3  -3.866 -15.671  -0.500
   31   2H4     C   3          2H4         C   3  -5.295 -15.545   0.496
   32    H5     C   3           H5         C   3  -5.207 -15.431   2.963
   33    H6     C   3           H6         C   3  -3.746 -15.441   4.866
   34   1H5*    A   4          1H5*        A   4   1.797 -11.720   6.030
   35   2H5*    A   4          2H5*        A   4   1.880  -9.954   5.866
   36    H4*    A   4           H4*        A   4   3.257 -11.191   4.179
   37    H3*    A   4           H3*        A   4   0.948  -9.522   3.134
   38    H2*    A   4           H2*        A   4   1.716 -10.049   0.931
   39   2HO*    A   4          2HO*        A   4   3.988  -9.867   1.703
   40    H1*    A   4           H1*        A   4   2.129 -12.703   1.432
   41    H8     A   4           H8         A   4  -1.024 -11.756   3.311
   42   1H6     A   4          1H6         A   4  -3.982 -12.851  -2.017
   43   2H6     A   4          2H6         A   4  -4.125 -12.580  -0.287
   44    H2     A   4           H2         A   4   0.415 -12.603  -2.901
   45   1H5*    C   5          1H5*        C   5   4.515  -7.946   1.056
   46   2H5*    C   5          2H5*        C   5   4.261  -6.239   0.645
   47    H4*    C   5           H4*        C   5   4.510  -7.830  -1.326
   48    H3*    C   5           H3*        C   5   1.945  -6.226  -1.105
   49    H2*    C   5           H2*        C   5   1.368  -7.180  -3.245
   50   2HO*    C   5          2HO*        C   5   3.753  -7.036  -3.813
   51    H1*    C   5           H1*        C   5   2.147  -9.731  -2.600
   52   1H4     C   5          1H4         C   5  -4.152  -9.370  -1.705
   53   2H4     C   5          2H4         C   5  -3.937  -8.762  -0.079
   54    H5     C   5           H5         C   5  -1.661  -8.272   0.875
   55    H6     C   5           H6         C   5   0.667  -8.163   0.352
   56   1H5*    U   6          1H5*        U   6   2.975  -5.699  -5.138
   57   2H5*    U   6          2H5*        U   6   2.640  -4.071  -5.730
   58    H4*    U   6           H4*        U   6   1.386  -5.937  -6.890
   59    H3*    U   6           H3*        U   6  -0.211  -3.743  -5.558
   60    H2*    U   6           H2*        U   6  -2.219  -4.812  -6.287
   61   2HO*    U   6          2HO*        U   6  -1.054  -5.358  -8.344
   62    H1*    U   6           H1*        U   6  -1.447  -7.349  -5.696
   63    H3     U   6           H3         U   6  -4.753  -6.181  -2.755
   64    H5     U   6           H5         U   6  -1.109  -5.203  -0.892
   65    H6     U   6           H6         U   6  -0.009  -5.505  -2.979
   66   1H5*    C   7          1H5*        C   7  -0.725  -2.922  -9.928
   67   2H5*    C   7          2H5*        C   7  -0.886  -1.202 -10.331
   68    H4*    C   7           H4*        C   7  -3.115  -2.416 -10.053
   69    H3*    C   7           H3*        C   7  -2.461  -0.186  -8.099
   70    H2*    C   7           H2*        C   7  -4.662  -0.446  -7.285
   71   2HO*    C   7          2HO*        C   7  -5.733  -0.459  -9.284
   72    H1*    C   7           H1*        C   7  -4.733  -3.248  -7.826
   73   1H4     C   7          1H4         C   7  -4.841  -2.873  -1.546
   74   2H4     C   7          2H4         C   7  -3.097  -2.712  -1.411
   75    H5     C   7           H5         C   7  -1.659  -2.467  -3.535
   76    H6     C   7           H6         C   7  -1.790  -2.274  -5.920
   77   1H5*    U   8          1H5*        U   8  -6.124   0.446 -11.071
   78   2H5*    U   8          2H5*        U   8  -6.279   2.201 -11.283
   79    H4*    U   8           H4*        U   8  -8.463   1.081 -10.821
   80    H3*    U   8           H3*        U   8  -7.459   3.058  -8.750
   81    H2*    U   8           H2*        U   8  -9.594   2.783  -7.672
   82   2HO*    U   8          2HO*        U   8 -10.598   2.676  -9.875
   83    H1*    U   8           H1*        U   8  -9.678   0.048  -7.972
   84    H3     U   8           H3         U   8  -9.116   0.651  -3.478
   85    H5     U   8           H5         U   8  -5.267   1.073  -5.132
   86    H6     U   8           H6         U   8  -6.259   1.152  -7.319
   87   1H5*    G   9          1H5*        G   9 -11.499   4.546  -9.740
   88   2H5*    G   9          2H5*        G   9 -11.489   6.306  -9.524
   89    H4*    G   9           H4*        G   9 -13.068   5.080  -7.999
   90    H3*    G   9           H3*        G   9 -10.824   6.634  -6.682
   91    H2*    G   9           H2*        G   9 -11.882   6.056  -4.571
   92   2HO*    G   9          2HO*        G   9 -14.038   6.266  -5.629
   93    H1*    G   9           H1*        G   9 -12.213   3.428  -5.203
   94    H8     G   9           H8         G   9  -8.877   4.629  -6.687
   95    H1     G   9           H1         G   9  -8.703   3.309  -0.402
   96   1H2     G   9          1H2         G   9 -10.821   3.251   0.412
   97   2H2     G   9          2H2         G   9 -12.193   3.262  -0.690
   98   1H5*    G  10          1H5*        G  10 -14.685   7.808  -4.793
   99   2H5*    G  10          2H5*        G  10 -14.596   9.483  -4.231
  100    H4*    G  10           H4*        G  10 -15.101   7.712  -2.461
  101    H3*    G  10           H3*        G  10 -12.749   9.581  -2.112
  102    H2*    G  10           H2*        G  10 -12.402   8.558   0.054
  103   2HO*    G  10          2HO*        G  10 -14.839   8.421   0.235
  104    H1*    G  10           H1*        G  10 -12.761   5.983  -0.808
  105    H8     G  10           H8         G  10 -10.809   7.639  -3.591
  106    H1     G  10           H1         G  10  -7.258   6.196   1.565
  107   1H2     G  10          1H2         G  10  -8.619   5.942   3.369
  108   2H2     G  10          2H2         G  10 -10.371   5.945   3.185
  109   1H5*    U  11          1H5*        U  11 -14.879   9.683   1.771
  110   2H5*    U  11          2H5*        U  11 -14.853  11.358   2.356
  111    H4*    U  11           H4*        U  11 -13.685   9.743   3.941
  112    H3*    U  11           H3*        U  11 -11.959  11.877   2.707
  113    H2*    U  11           H2*        U  11 -10.321  11.030   4.280
  114   2HO*    U  11          2HO*        U  11 -11.773  10.702   6.018
  115    H1*    U  11           H1*        U  11 -10.814   8.404   3.745
  116    H3     U  11           H3         U  11  -6.699   9.429   2.101
  117    H5     U  11           H5         U  11  -9.399  10.710  -0.876
  118    H6     U  11           H6         U  11 -11.199  10.340   0.669
  119   1H5*    A  12          1H5*        A  12 -12.920  13.049   7.000
  120   2H5*    A  12          2H5*        A  12 -12.376  14.675   7.454
  121    H4*    A  12           H4*        A  12 -10.986  12.684   8.302
  122    H3*    A  12           H3*        A  12  -9.626  14.862   6.724
  123    H2*    A  12           H2*        A  12  -7.578  13.716   7.177
  124   2HO*    A  12          2HO*        A  12  -8.054  13.244   9.372
  125    H1*    A  12           H1*        A  12  -8.647  11.164   6.643
  126    H8     A  12           H8         A  12 -10.020  13.603   4.178
  127   1H6     A  12          1H6         A  12  -4.956  12.635   0.786
  128   2H6     A  12          2H6         A  12  -6.611  13.224   0.824
  129    H2     A  12           H2         A  12  -4.076  11.286   4.983
  130   1H5*    U  13          1H5*        U  13  -6.399  16.357  10.990
  131   2H5*    U  13          2H5*        U  13  -6.430  16.886   9.311
  132    H4*    U  13           H4*        U  13  -4.893  14.595  10.541
  133    H3*    U  13           H3*        U  13  -4.435  16.951   8.694
  134    H2*    U  13           H2*        U  13  -2.696  15.865   7.545
  135   2HO*    U  13          2HO*        U  13  -2.105  14.881   9.769
  136    H1*    U  13           H1*        U  13  -3.966  13.452   7.315
  137    H3     U  13           H3         U  13  -4.406  15.092   3.101
  138    H5     U  13           H5         U  13  -7.710  16.524   5.298
  139    H6     U  13           H6         U  13  -6.530  15.969   7.312
  140   1H5*    C  14          1H5*        C  14  -0.768  16.627   9.523
  141   2H5*    C  14          2H5*        C  14  -0.048  18.153  10.074
  142    H4*    C  14           H4*        C  14   1.070  17.535   8.063
  143    H3*    C  14           H3*        C  14  -1.014  19.636   7.384
  144    H2*    C  14           H2*        C  14   0.094  19.644   5.172
  145   2HO*    C  14          2HO*        C  14   2.167  19.169   6.451
  146    H1*    C  14           H1*        C  14   0.012  16.935   5.005
  147   1H4     C  14          1H4         C  14  -5.507  19.026   2.536
  148   2H4     C  14          2H4         C  14  -6.232  19.184   4.120
  149    H5     C  14           H5         C  14  -4.935  18.718   6.215
  150    H6     C  14           H6         C  14  -2.787  18.141   7.067
  151   1H5*    A  15          1H5*        A  15   0.295  22.804   5.638
  152   2H5*    A  15          2H5*        A  15   1.321  21.357   5.446
  153    H4*    A  15           H4*        A  15   1.900  24.255   4.905
  154    H3*    A  15           H3*        A  15   1.037  22.310   3.236
  155    H2*    A  15           H2*        A  15   2.632  20.664   3.734
  156   2HO*    A  15          2HO*        A  15   3.342  22.299   1.596
  157    H1*    A  15           H1*        A  15   4.824  22.737   3.610
  158    H8     A  15           H8         A  15   3.905  19.250   4.683
  159   1H6     A  15          1H6         A  15   9.400  19.047   7.498
  160   2H6     A  15          2H6         A  15   7.984  18.135   6.979
  161    H2     A  15           H2         A  15   8.655  23.281   6.282
  162   1H5*    C  16          1H5*        C  16   1.374  21.643   0.375
  163   2H5*    C  16          2H5*        C  16   1.387  22.952  -0.758
  164    H4*    C  16           H4*        C  16   0.136  21.139  -1.596
  165    H3*    C  16           H3*        C  16  -1.030  23.571  -1.891
  166    H2*    C  16           H2*        C  16  -1.969  23.681   0.368
  167   2HO*    C  16          2HO*        C  16  -3.780  22.837  -1.594
  168    H1*    C  16           H1*        C  16  -3.192  20.953  -0.062
  169   1H4     C  16          1H4         C  16  -4.043  22.202   6.234
  170   2H4     C  16          2H4         C  16  -2.324  21.968   6.515
  171    H5     C  16           H5         C  16  -0.782  21.462   4.657
  172    H6     C  16           H6         C  16  -0.539  21.224   2.302
  173   1H5*    G  17          1H5*        G  17   0.958  22.308  -4.078
  174   2H5*    G  17          2H5*        G  17   0.646  21.285  -5.447
  175    H4*    G  17           H4*        G  17   2.815  20.902  -4.814
  176    H3*    G  17           H3*        G  17   1.276  18.732  -3.342
  177    H2*    G  17           H2*        G  17   3.484  17.957  -2.813
  178   2HO*    G  17          2HO*        G  17   3.977  18.480  -5.214
  179    H1*    G  17           H1*        G  17   4.589  20.594  -2.839
  180    H8     G  17           H8         G  17   5.841  19.935  -0.786
  181    H1     G  17           H1         G  17   0.608  17.983   2.302
  182   1H2     G  17          1H2         G  17  -1.117  17.872   0.922
  183   2H2     G  17          2H2         G  17  -0.983  18.422  -0.740
  184   1H5*    G  18          1H5*        G  18   3.500  16.493  -4.433
  185   2H5*    G  18          2H5*        G  18   2.917  14.956  -4.934
  186    H4*    G  18           H4*        G  18   4.202  15.292  -2.630
  187    H3*    G  18           H3*        G  18   1.728  13.557  -2.773
  188    H2*    G  18           H2*        G  18   2.073  13.162  -0.411
  189   2HO*    G  18          2HO*        G  18   4.484  13.225  -0.846
  190    H1*    G  18           H1*        G  18   2.558  15.770   0.232
  191    H8     G  18           H8         G  18  -0.130  15.506  -2.492
  192    H1     G  18           H1         G  18  -2.289  14.568   3.501
  193   1H2     G  18          1H2         G  18  -0.534  14.276   4.894
  194   2H2     G  18          2H2         G  18   1.118  14.441   4.321
  195   1H5*    U  19          1H5*        U  19   4.697  11.444  -0.251
  196   2H5*    U  19          2H5*        U  19   4.466   9.703  -0.396
  197    H4*    U  19           H4*        U  19   4.184  10.724   1.916
  198    H3*    U  19           H3*        U  19   1.914   9.040   0.800
  199    H2*    U  19           H2*        U  19   0.935   9.273   2.999
  200   2HO*    U  19          2HO*        U  19   3.020   9.110   4.061
  201    H1*    U  19           H1*        U  19   1.352  11.946   3.176
  202    H3     U  19           H3         U  19  -3.146  11.576   2.289
  203    H5     U  19           H5         U  19  -1.235  11.487  -1.460
  204    H6     U  19           H6         U  19   0.852  11.233  -0.349
  205   1H5*    A  20          1H5*        A  20   3.371   7.132   4.474
  206   2H5*    A  20          2H5*        A  20   3.089   5.381   4.453
  207    H4*    A  20           H4*        A  20   1.899   6.609   6.272
  208    H3*    A  20           H3*        A  20   0.083   5.154   4.284
  209    H2*    A  20           H2*        A  20  -1.691   5.807   5.699
  210   2HO*    A  20          2HO*        A  20  -0.110   5.687   7.622
  211    H1*    A  20           H1*        A  20  -1.050   8.274   5.927
  212    H8     A  20           H8         A  20   0.160   7.392   2.372
  213   1H6     A  20          1H6         A  20  -5.419   9.045   0.430
  214   2H6     A  20          2H6         A  20  -3.785   8.587   0.028
  215    H2     A  20           H2         A  20  -5.585   8.691   4.949
  216   1H5*    C  21          1H5*        C  21  -1.507   4.519   7.894
  217   2H5*    C  21          2H5*        C  21  -1.943   2.910   8.212
  218    H4*    C  21           H4*        C  21  -3.859   4.396   8.440
  219    H3*    C  21           H3*        C  21  -4.154   2.546   6.033
  220    H2*    C  21           H2*        C  21  -6.324   3.527   5.771
  221   2HO*    C  21          2HO*        C  21  -6.533   3.641   8.176
  222    H1*    C  21           H1*        C  21  -5.441   6.097   6.060
  223   1H4     C  21          1H4         C  21  -5.191   5.631  -0.152
  224   2H4     C  21          2H4         C  21  -3.520   5.096  -0.116
  225    H5     C  21           H5         C  21  -2.394   4.467   2.060
  226    H6     C  21           H6         C  21  -2.682   4.390   4.429
  227   1H5*    C  22          1H5*        C  22  -7.754   2.026   8.374
  228   2H5*    C  22          2H5*        C  22  -8.360   0.362   8.233
  229    H4*    C  22           H4*        C  22  -9.916   2.145   7.324
  230    H3*    C  22           H3*        C  22  -8.884   0.025   5.410
  231    H2*    C  22           H2*        C  22 -10.284   1.007   3.750
  232   2HO*    C  22          2HO*        C  22 -11.909   1.396   5.564
  233    H1*    C  22           H1*        C  22  -9.717   3.621   4.422
  234   1H4     C  22          1H4         C  22  -6.156   2.594  -0.654
  235   2H4     C  22          2H4         C  22  -4.837   1.935   0.291
  236    H5     C  22           H5         C  22  -5.054   1.603   2.798
  237    H6     C  22           H6         C  22  -6.556   1.773   4.648
  238   1H5*    U  23          1H5*        U  23 -13.033   0.060   4.499
  239   2H5*    U  23          2H5*        U  23 -13.569  -1.594   4.168
  240    H4*    U  23           H4*        U  23 -13.809  -0.038   2.227
  241    H3*    U  23           H3*        U  23 -11.911  -2.375   1.869
  242    H2*    U  23           H2*        U  23 -11.763  -1.686  -0.456
  243   2HO*    U  23          2HO*        U  23 -14.086  -1.126  -0.448
  244    H1*    U  23           H1*        U  23 -11.545   0.977   0.117
  245    H3     U  23           H3         U  23  -7.423  -0.079  -1.402
  246    H5     U  23           H5         U  23  -7.476  -1.562   2.542
  247    H6     U  23           H6         U  23  -9.821  -1.050   2.648
  248   1H5*    U  24          1H5*        U  24 -14.960  -2.366  -1.416
  249   2H5*    U  24          2H5*        U  24 -15.229  -4.030  -1.957
  250    H4*    U  24           H4*        U  24 -14.451  -2.445  -3.761
  251    H3*    U  24           H3*        U  24 -12.673  -4.818  -3.109
  252    H2*    U  24           H2*        U  24 -11.415  -4.170  -5.080
  253   2HO*    U  24          2HO*        U  24 -13.530  -3.549  -6.115
  254    H1*    U  24           H1*        U  24 -11.446  -1.486  -4.459
  255    H3     U  24           H3         U  24  -7.110  -2.704  -3.850
  256    H5     U  24           H5         U  24  -9.066  -4.241  -0.474
  257    H6     U  24           H6         U  24 -11.194  -3.676  -1.488
  258   1H5*    U  25          1H5*        U  25 -13.361  -5.002  -7.372
  259   2H5*    U  25          2H5*        U  25 -13.456  -6.696  -7.874
  260    H4*    U  25           H4*        U  25 -11.656  -5.420  -9.024
  261    H3*    U  25           H3*        U  25 -10.696  -7.695  -7.239
  262    H2*    U  25           H2*        U  25  -8.556  -7.310  -8.212
  263   2HO*    U  25          2HO*        U  25  -9.578  -6.895 -10.332
  264    H1*    U  25           H1*        U  25  -8.708  -4.570  -7.994
  265    H3     U  25           H3         U  25  -5.606  -5.922  -4.912
  266    H5     U  25           H5         U  25  -9.295  -6.600  -3.048
  267    H6     U  25           H6         U  25 -10.401  -6.119  -5.141
  268   1H5*    G  26          1H5*        G  26  -9.418  -8.763 -11.192
  269   2H5*    G  26          2H5*        G  26  -9.350 -10.526 -11.374
  270    H4*    G  26           H4*        G  26  -7.144  -9.323 -11.616
  271    H3*    G  26           H3*        G  26  -7.400 -11.361  -9.385
  272    H2*    G  26           H2*        G  26  -5.024 -11.021  -9.024
  273   2HO*    G  26          2HO*        G  26  -4.731 -10.798 -11.406
  274    H1*    G  26           H1*        G  26  -5.191  -8.284  -9.166
  275    H8     G  26           H8         G  26  -8.308  -9.258  -7.280
  276    H1     G  26           H1         G  26  -2.897  -9.822  -3.838
  277   1H2     G  26          1H2         G  26  -1.096  -9.811  -5.267
  278   2H2     G  26          2H2         G  26  -1.339  -9.548  -6.986
  279   1H5*    U  27          1H5*        U  27  -3.838 -12.369 -11.883
  280   2H5*    U  27          2H5*        U  27  -3.632 -14.125 -11.929
  281    H4*    U  27           H4*        U  27  -1.635 -12.833 -11.112
  282    H3*    U  27           H3*        U  27  -2.824 -14.829  -9.145
  283    H2*    U  27           H2*        U  27  -0.884 -14.410  -7.854
  284   2HO*    U  27          2HO*        U  27   0.522 -14.211  -9.737
  285    H1*    U  27           H1*        U  27  -1.074 -11.708  -8.060
  286    H3     U  27           H3         U  27  -2.319 -12.965  -3.817
  287    H5     U  27           H5         U  27  -5.808 -13.271  -6.160
  288    H6     U  27           H6         U  27  -4.459 -12.971  -8.120
  289   1H5*    G  28          1H5*        G  28   1.365 -15.931  -9.917
  290   2H5*    G  28          2H5*        G  28   1.672 -17.633  -9.532
  291    H4*    G  28           H4*        G  28   2.922 -15.836  -8.188
  292    H3*    G  28           H3*        G  28   1.423 -17.987  -6.708
  293    H2*    G  28           H2*        G  28   2.374 -16.978  -4.693
  294   2HO*    G  28          2HO*        G  28   4.362 -16.484  -6.062
  295    H1*    G  28           H1*        G  28   1.680 -14.429  -5.388
  296    H8     G  28           H8         G  28  -1.197 -16.255  -6.827
  297    H1     G  28           H1         G  28  -1.503 -16.025  -0.423
  298   1H2     G  28          1H2         G  28   0.507 -15.562   0.455
  299   2H2     G  28          2H2         G  28   1.899 -15.267  -0.556
  300   1H5*    U  29          1H5*        U  29   5.274 -18.091  -5.145
  301   2H5*    U  29          2H5*        U  29   5.874 -19.743  -4.893
  302    H4*    U  29           H4*        U  29   5.754 -18.477  -2.786
  303    H3*    U  29           H3*        U  29   3.779 -20.783  -2.985
  304    H2*    U  29           H2*        U  29   3.252 -20.370  -0.706
  305   2HO*    U  29          2HO*        U  29   5.607 -19.779  -0.362
  306    H1*    U  29           H1*        U  29   3.034 -17.662  -1.013
  307    H3     U  29           H3         U  29  -1.302 -19.202  -0.670
  308    H5     U  29           H5         U  29  -0.316 -19.336  -4.753
  309    H6     U  29           H6         U  29   1.936 -18.923  -4.197
  310   1H5*    C  30          1H5*        C  30   6.103 -21.478   0.398
  311   2H5*    C  30          2H5*        C  30   6.488 -23.196   0.593
  312    H4*    C  30           H4*        C  30   5.257 -22.229   2.522
  313    H3*    C  30           H3*        C  30   3.800 -24.366   0.912
  314    H2*    C  30           H2*        C  30   2.083 -24.307   2.547
  315   2HO*    C  30          2HO*        C  30   2.402 -23.275   4.561
  316    H1*    C  30           H1*        C  30   2.272 -21.526   2.989
  317   1H4     C  30          1H4         C  30  -3.011 -22.045  -0.370
  318   2H4     C  30          2H4         C  30  -2.136 -21.998  -1.886
  319    H5     C  30           H5         C  30   0.391 -22.304  -1.947
  320    H6     C  30           H6         C  30   2.357 -22.390  -0.567
  321    H3T    C  30           HE         C  30   4.793 -24.597   3.510