*HEADER    RNA                                     10-MAR-05   1Z30              
*TITLE     NMR STRUCTURE OF THE APICAL PART OF STEMLOOP D FROM                   
*TITLE    2 CLOVERLEAF 1 OF BOVINE ENTEROVIRUS 1 RNA                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*CP*GP*UP*UP*CP*GP*UP*UP*AP*GP*AP*AP*CP*GP*UP*C)-            
*COMPND   4 3';                                                                  
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THIS RNA NATURALLY EXIST IN           
*SOURCE   4 BOVINE ENTEROVIRUS 1 (VIRUS)                                         
*KEYWDS    CGUUAG RNA TETRALOOP, CUNCGG-TYPE BACKBONE CONFORMATION, A-           
*KEYWDS   2 FORM HELIX                                                           
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    Y.IHLE, O.OHLENSCHLAGER, E.DUCHARDT, R.RAMACHANDRAN,                  
*AUTHOR   2 M.GORLACH                                                            
*REVDAT   1   26-APR-05 1Z30    0                                                

   1 RGUA  DELTA    75.0    85.0
   1 RGUA  NU2      25.0    39.0
   1 RGUA  NU1     -19.0    -7.0
   1 RGUA  CHI    -175.0  -115.0
   1 RGUA  EPSI   -185.0   -95.0
   2 RGUA  ZETA   -125.0    -9.0
   2 RGUA  ALPHA  -131.0    -9.0
   2 RGUA  BETA     65.0   235.0
   2 RGUA  GAMMA    -5.0   165.0
   2 RGUA  DELTA    75.0    97.0
   2 RGUA  NU2      25.0    45.0
   2 RGUA  NU1     -37.0    -7.0
   2 RGUA  CHI    -205.0  -125.0
   2 RGUA  EPSI   -195.0   -65.0
   3 RCYT  ZETA   -131.0    -9.0
   3 RCYT  ALPHA  -131.0    -9.0
   3 RCYT  BETA     85.0   265.0
   3 RCYT  GAMMA   -15.0   135.0
   3 RCYT  DELTA    75.0    97.0
   3 RCYT  NU2      25.0    45.0
   3 RCYT  NU1     -37.0    -7.0
   3 RCYT  CHI    -195.0  -125.0
   3 RCYT  EPSI   -195.0   -45.0
   4 RGUA  ZETA   -131.0    -9.0
   4 RGUA  ALPHA  -131.0    -9.0
   4 RGUA  BETA   -325.0   -35.0
   4 RGUA  DELTA    75.0   103.0
   4 RGUA  NU2      29.0    45.0
   4 RGUA  NU1     -39.0   -13.0
   4 RGUA  CHI    -165.0  -125.0
   4 RGUA  EPSI   -185.0  -115.0
   5 URA   ZETA   -105.0   -35.0
   5 URA   ALPHA  -131.0   -15.0
   5 URA   BETA     95.0   235.0
   5 URA   BETA   -245.0   105.0
   5 URA   GAMMA    15.0   135.0
   5 URA   DELTA    75.0    97.0
   5 URA   NU2      29.0    45.0
   5 URA   NU1     -37.0   -13.0
   5 URA   CHI    -185.0  -135.0
   5 URA   EPSI   -185.0   -65.0
   6 URA   ZETA   -131.0    -9.0
   6 URA   ALPHA  -131.0    -9.0
   6 URA   BETA     35.0   245.0
   6 URA   GAMMA   -15.0   185.0
   6 URA   DELTA    75.0   103.0
   6 URA   NU2      29.0    45.0
   6 URA   NU1     -39.0   -13.0
   6 URA   CHI    -195.0  -125.0
   6 URA   EPSI   -195.0   -45.0
   7 RCYT  ZETA   -131.0    -9.0
   7 RCYT  ALPHA  -131.0    -9.0
   7 RCYT  BETA     45.0   295.0
   7 RCYT  GAMMA  -125.0   135.0
   7 RCYT  GAMMA   -15.0   245.0
   7 RCYT  DELTA    75.0   103.0
   7 RCYT  NU2      29.0    45.0
   7 RCYT  NU1     -39.0   -13.0
   7 RCYT  CHI    -195.0   -75.0
   7 RCYT  EPSI   -205.0   -45.0
   8 RGUA  ZETA   -121.0   121.0
   8 RGUA  ALPHA  -121.0   121.0
   8 RGUA  BETA   -265.0   -65.0
   8 RGUA  GAMMA   -75.0   215.0
   8 RGUA  DELTA    75.0    87.0
   8 RGUA  NU2      25.0    43.0
   8 RGUA  NU1     -25.0    -7.0
   8 RGUA  CHI    -175.0   -95.0
   8 RGUA  EPSI   -205.0   -45.0
   8 RGUA  EPSI   -135.0   215.0
   9 URA   ZETA   -285.0    35.0
   9 URA   ZETA   -121.0   121.0
   9 URA   ZETA    -45.0   265.0
   9 URA   ALPHA  -121.0    45.0
   9 URA   ALPHA   -55.0   285.0
   9 URA   ALPHA   -15.0   335.0
   9 URA   BETA   -255.0  -105.0
   9 URA   GAMMA  -125.0     5.0
   9 URA   GAMMA   -15.0   245.0
   9 URA   DELTA   159.0   161.0
   9 URA   NU2     -39.0   -29.0
   9 URA   NU1      11.0    21.0
   9 URA   CHI    -115.0  -105.0
   9 URA   EPSI   -165.0   -65.0
  10 URA   ZETA   -345.0    -5.0
  10 URA   ZETA   -265.0    85.0
  10 URA   ZETA   -121.0   121.0
  10 URA   ZETA    -55.0   285.0
  10 URA   ZETA    -15.0   315.0
  10 URA   ALPHA   -55.0    85.0
  10 URA   BETA   -235.0  -115.0
  10 URA   BETA   -155.0   185.0
  10 URA   GAMMA  -235.0    25.0
  10 URA   GAMMA  -125.0   135.0
  10 URA   GAMMA    -5.0   245.0
  10 URA   DELTA   159.0   161.0
  10 URA   NU2     -39.0   -29.0
  10 URA   NU1      11.0    21.0
  10 URA   CHI    -115.0  -105.0
  10 URA   EPSI   -155.0   -95.0
  10 URA   EPSI   -105.0   235.0
  11 RADE  ZETA     65.0   121.0
  11 RADE  ZETA   -255.0    85.0
  11 RADE  ALPHA  -345.0    -5.0
  11 RADE  ALPHA  -315.0    25.0
  11 RADE  ALPHA   -75.0    55.0
  11 RADE  ALPHA   -45.0   295.0
  11 RADE  BETA   -265.0   -65.0
  11 RADE  BETA   -165.0   105.0
  11 RADE  BETA   -125.0   205.0
  11 RADE  BETA   -105.0   245.0
  11 RADE  GAMMA    65.0   245.0
  11 RADE  GAMMA  -235.0    75.0
  11 RADE  GAMMA  -125.0   135.0
  11 RADE  DELTA    75.0    85.0
  11 RADE  NU2      15.0    35.0
  11 RADE  NU1     -13.0     7.0
  11 RADE  CHI    -325.0    15.0
  11 RADE  CHI      -5.0    45.0
  11 RADE  EPSI   -195.0   -65.0
  12 RGUA  ZETA   -165.0    85.0
  12 RGUA  ALPHA  -325.0     5.0
  12 RGUA  BETA     45.0   305.0
  12 RGUA  GAMMA    45.0   265.0
  12 RGUA  DELTA    75.0   115.0
  12 RGUA  NU2       3.0    45.0
  12 RGUA  NU1     -45.0    21.0
  12 RGUA  CHI    -205.0  -125.0
  12 RGUA  EPSI   -185.0   -65.0
  13 RADE  ZETA   -131.0    -9.0
  13 RADE  ALPHA  -131.0    -9.0
  13 RADE  BETA     35.0   255.0
  13 RADE  GAMMA   -95.0   175.0
  13 RADE  GAMMA   -65.0   275.0
  13 RADE  DELTA    77.0   115.0
  13 RADE  NU2      25.0    45.0
  13 RADE  NU1     -45.0   -19.0
  13 RADE  CHI    -205.0  -135.0
  13 RADE  EPSI   -185.0   -75.0
  14 RADE  ZETA   -131.0    -9.0
  14 RADE  ALPHA  -131.0    -9.0
  14 RADE  BETA     75.0   265.0
  14 RADE  GAMMA   -15.0   135.0
  14 RADE  DELTA    77.0   103.0
  14 RADE  NU2      33.0    45.0
  14 RADE  NU1     -39.0   -19.0
  14 RADE  CHI    -205.0  -145.0
  14 RADE  EPSI   -185.0   -75.0
  15 RCYT  ZETA   -131.0    -9.0
  15 RCYT  ALPHA  -131.0    -9.0
  15 RCYT  BETA     85.0   255.0
  15 RCYT  GAMMA   -15.0   135.0
  15 RCYT  DELTA    75.0   103.0
  15 RCYT  NU2      25.0    45.0
  15 RCYT  NU1     -39.0    -7.0
  15 RCYT  CHI    -195.0  -125.0
  15 RCYT  EPSI   -185.0   -45.0
  16 RGUA  ZETA   -131.0    -9.0
  16 RGUA  ALPHA  -131.0    -9.0
  16 RGUA  BETA   -325.0   -35.0
  16 RGUA  BETA    -55.0   235.0
  16 RGUA  GAMMA   -75.0   225.0
  16 RGUA  DELTA    75.0    85.0
  16 RGUA  NU2      25.0    39.0
  16 RGUA  NU1     -19.0    -7.0
  16 RGUA  CHI    -195.0  -115.0
  16 RGUA  EPSI   -185.0   -95.0
  17 URA   ZETA   -131.0   -25.0
  17 URA   ALPHA  -131.0    -9.0
  17 URA   BETA   -245.0  -105.0
  17 URA   GAMMA   -35.0   105.0
  17 URA   DELTA    75.0    97.0
  17 URA   NU2      29.0    45.0
  17 URA   NU1     -37.0   -13.0
  17 URA   CHI    -185.0  -125.0
  17 URA   EPSI   -195.0   -45.0
  18 RCYT  ZETA   -131.0   -15.0
  18 RCYT  ALPHA  -131.0    -9.0
  18 RCYT  BETA     45.0   255.0
  18 RCYT  GAMMA   -15.0   135.0
  18 RCYT  DELTA    75.0    85.0
  18 RCYT  NU2      25.0    39.0
  18 RCYT  NU1     -19.0    -7.0
  18 RCYT  CHI    -175.0   -95.0

  1 RGUA H1      2 RGUA H1      5.40 
  1 RGUA H1      2 RGUA H1'     5.40 
  1 RGUA H1     17 URA  H3      5.40 
  1 RGUA H1     18 RCYT H41     2.80 
  1 RGUA H1     18 RCYT H42     5.40 
  1 RGUA H1     18 RCYT Q4      3.67 
  1 RGUA H2'     1 RGUA H1'     2.80 
  1 RGUA H1'     2 RGUA H8      5.40 
  1 RGUA H2'     2 RGUA H8      2.80 
  1 RGUA H3'     2 RGUA H8      5.40 
  1 RGUA H4'     1 RGUA H1'     3.80 
  1 RGUA H4'     1 RGUA H8      5.40 
  1 RGUA H4'     2 RGUA H8      5.40 
  1 RGUA H5"     1 RGUA H8      5.40 
  1 RGUA H5'     1 RGUA H8      5.40 
  1 RGUA H2'     1 RGUA H8      3.80 
  1 RGUA H3'     1 RGUA H8      3.80 
  1 RGUA H8      2 RGUA H8      6.30 
  2 RGUA H1     16 RGUA H1      5.40 
  2 RGUA H1     17 URA  H3      2.80 
  2 RGUA H1     18 RCYT H1'     5.40 
  2 RGUA H1     18 RCYT H5      5.40 
  2 RGUA H1     18 RCYT Q4      6.27 
  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 H5      5.40 
  2 RGUA H1'     3 RCYT H6      5.40 
  2 RGUA H2'     3 RCYT H3'     5.40 
  2 RGUA H2'     3 RCYT H4'     5.40 
  2 RGUA H2'     3 RCYT H5      3.80 
  2 RGUA H2'     3 RCYT H5"     5.40 
  2 RGUA H2'     3 RCYT H5'     5.40 
  2 RGUA H2'     3 RCYT H6      2.80 
  2 RGUA H3'     3 RCYT H5      3.80 
  2 RGUA H3'     3 RCYT H6      3.80 
  2 RGUA H4'     2 RGUA H1'     3.80 
  2 RGUA H4'     2 RGUA H2'     3.80 
  2 RGUA H4'     2 RGUA H8      5.40 
  2 RGUA H4'     3 RCYT H5      6.30 
  2 RGUA H4'     3 RCYT H6      5.40 
  2 RGUA H5"     2 RGUA H1'     5.40 
  2 RGUA H5"     2 RGUA H8      5.40 
  2 RGUA H5'     2 RGUA H1'     5.40 
  2 RGUA H5'     2 RGUA H8      5.40 
  2 RGUA H2'     2 RGUA H8      5.40 
  2 RGUA H3'     2 RGUA H8      3.80 
  2 RGUA H8      3 RCYT Q4      6.27 
  2 RGUA Q2      3 RCYT H1'     6.27 
  3 RCYT H2'     3 RCYT H1'     2.80 
  3 RCYT H1'     4 RGUA H8      5.40 
  3 RCYT H2'     4 RGUA H1'     5.40 
  3 RCYT H2'     4 RGUA H8      2.80 
  3 RCYT H3'     4 RGUA H8      3.80 
  3 RCYT H41    16 RGUA H1      2.80 
  3 RCYT H41    16 RGUA Q2      6.27 
  3 RCYT H41    17 URA  H3      5.40 
  3 RCYT H42    16 RGUA H1      5.40 
  3 RCYT H42    17 URA  H3      5.40 
  3 RCYT H4'     3 RCYT H1'     3.80 
  3 RCYT H4'     3 RCYT H2'     3.80 
  3 RCYT H4'     3 RCYT H6      5.40 
  3 RCYT H5"     3 RCYT H1'     5.40 
  3 RCYT H5"     3 RCYT H4'     2.80 
  3 RCYT H5"     3 RCYT H6      5.40 
  3 RCYT H5'     3 RCYT H1'     5.40 
  3 RCYT H5'     3 RCYT H4'     2.80 
  3 RCYT H5'     3 RCYT H6      5.40 
  3 RCYT H2'     3 RCYT H6      5.40 
  3 RCYT H3'     3 RCYT H6      5.40 
  3 RCYT Q4     16 RGUA H1      3.67 
  4 RGUA H1      5 URA  H1'     5.40 
  4 RGUA H1      5 URA  H3      3.80 
  4 RGUA H1     14 RADE H2      5.40 
  4 RGUA H1     14 RADE Q6      6.27 
  4 RGUA H1     15 RCYT H1'     5.40 
  4 RGUA H1     15 RCYT H41     2.80 
  4 RGUA H1     15 RCYT H42     5.40 
  4 RGUA H1     15 RCYT H5      5.40 
  4 RGUA H1     15 RCYT Q4      3.67 
  4 RGUA H1     16 RGUA H1'     5.40 
  4 RGUA H1     16 RGUA H8      5.40 
  4 RGUA H2'     4 RGUA H1'     2.80 
  4 RGUA H3'     4 RGUA H1'     3.80 
  4 RGUA H1'     4 RGUA H8      3.80 
  4 RGUA H1'     5 URA  H5      5.40 
  4 RGUA H1'     5 URA  H6      5.40 
  4 RGUA H1'    16 RGUA H1      5.40 
  4 RGUA H1'    16 RGUA Q2      6.27 
  4 RGUA H2'     5 URA  H5      3.80 
  4 RGUA H2'     5 URA  H6      2.80 
  4 RGUA H3'     5 URA  H5      3.80 
  4 RGUA H3'     5 URA  H6      3.80 
  4 RGUA H4'     4 RGUA H1'     3.80 
  4 RGUA H4'     4 RGUA H8      5.40 
  4 RGUA H4'     5 URA  H6      5.40 
  4 RGUA H5"     4 RGUA H1'     5.40 
  4 RGUA H5"     4 RGUA H8      5.40 
  4 RGUA H5'     4 RGUA H1'     5.40 
  4 RGUA H5'     4 RGUA H8      5.40 
  4 RGUA H2'     4 RGUA H8      3.80 
  4 RGUA H3'     4 RGUA H8      3.80 
  4 RGUA H8      5 URA  H5      5.40 
  4 RGUA H8     16 RGUA Q2      6.27 
  4 RGUA Q2      5 URA  H1'     6.27 
  4 RGUA Q2     14 RADE H2      6.27 
  4 RGUA Q2     15 RCYT H41     6.27 
  4 RGUA Q2     16 RGUA H1'     6.27 
  4 RGUA Q2     16 RGUA H8      6.27 
  5 URA  H2'     5 URA  H1'     2.80 
  5 URA  H3'     5 URA  H1'     3.80 
  5 URA  H1'     5 URA  H5      5.40 
  5 URA  H1'     6 URA  H6      5.40 
  5 URA  H2'     6 URA  H1'     5.40 
  5 URA  H2'     6 URA  H5      5.40 
  5 URA  H2'     6 URA  H6      2.80 
  5 URA  H3      6 URA  H1'     5.40 
  5 URA  H3      6 URA  H3      5.40 
  5 URA  H3     14 RADE H2      2.80 
  5 URA  H3     14 RADE Q6      3.67 
  5 URA  H3     15 RCYT H1'     6.30 
  5 URA  H3     15 RCYT H41     6.30 
  5 URA  H3     15 RCYT H42     6.30 
  5 URA  H3     15 RCYT Q4      6.27 
  5 URA  H3'     6 URA  H5      5.40 
  5 URA  H3'     6 URA  H6      3.80 
  5 URA  H5      6 URA  H5      5.40 
  5 URA  H5"     5 URA  H2'     5.40 
  5 URA  H5"     5 URA  H6      5.40 
  5 URA  H5'     5 URA  H2'     5.40 
  5 URA  H5'     5 URA  H6      5.40 
  5 URA  H2'     5 URA  H6      5.40 
  5 URA  H3'     5 URA  H6      3.80 
  5 URA  H6      6 URA  H5      5.40 
  5 URA  H6      6 URA  H6      5.40 
  6 URA  H2'     6 URA  H1'     2.80 
  6 URA  H1'     7 RCYT H6      5.40 
  6 URA  H1'    14 RADE H2      5.40 
  6 URA  H3'     6 URA  H2'     2.80 
  6 URA  H2'     7 RCYT H1'     5.40 
  6 URA  H2'     7 RCYT H5      3.80 
  6 URA  H2'     7 RCYT H6      2.80 
  6 URA  H3      7 RCYT H41     5.40 
  6 URA  H3      7 RCYT H42     5.40 
  6 URA  H3      7 RCYT Q4      6.27 
  6 URA  H3     12 RGUA H1      5.40 
  6 URA  H3     13 RADE H2      3.80 
  6 URA  H3     13 RADE Q6      3.67 
  6 URA  H3     14 RADE H2      5.40 
  6 URA  H3'     7 RCYT H6      5.40 
  6 URA  H4'     6 URA  H1'     3.80 
  6 URA  H4'     6 URA  H6      5.40 
  6 URA  H3'     6 URA  H5      5.40 
  6 URA  H5"     6 URA  H6      5.40 
  6 URA  H5'     6 URA  H6      5.40 
  6 URA  H2'     6 URA  H6      5.40 
  6 URA  H3'     6 URA  H6      3.80 
  6 URA  H6      7 RCYT H5      5.40 
  6 URA  H6      7 RCYT H6      5.40 
  7 RCYT H1'     8 RGUA H8      5.40 
  7 RCYT H1'    13 RADE H2      5.40 
  7 RCYT H3'     7 RCYT H2'     2.80 
  7 RCYT H2'     8 RGUA H1'     6.30 
  7 RCYT H2'     8 RGUA H5"     5.40 
  7 RCYT H2'     8 RGUA H5'     5.40 
  7 RCYT H2'     8 RGUA H8      3.80 
  7 RCYT H3'     8 RGUA H8      2.80 
  7 RCYT H41    12 RGUA H1      2.80 
  7 RCYT H41    13 RADE Q6      4.67 
  7 RCYT H42     8 RGUA H1      5.40 
  7 RCYT H42    12 RGUA H1      5.40 
  7 RCYT H42    13 RADE Q6      6.27 
  7 RCYT H4'     7 RCYT H1'     3.80 
  7 RCYT H4'     7 RCYT H6      5.40 
  7 RCYT H4'     8 RGUA H8      5.40 
  7 RCYT H2'     7 RCYT H5      5.40 
  7 RCYT H3'     7 RCYT H5      5.40 
  7 RCYT H5"     7 RCYT H3'     3.80 
  7 RCYT H5"     7 RCYT H4'     2.80 
  7 RCYT H5"     7 RCYT H6      5.40 
  7 RCYT H5'     7 RCYT H3'     3.80 
  7 RCYT H5'     7 RCYT H4'     2.80 
  7 RCYT H5'     7 RCYT H6      5.40 
  7 RCYT H2'     7 RCYT H6      5.40 
  7 RCYT H3'     7 RCYT H6      3.80 
  7 RCYT Q4      8 RGUA H1      6.27 
  7 RCYT Q4      8 RGUA H8      7.17 
  7 RCYT Q4     12 RGUA H1      4.67 
  8 RGUA H2'     8 RGUA H1'     2.80 
  8 RGUA H1'     8 RGUA H8      3.80 
  8 RGUA H1'     9 URA  H6      5.40 
  8 RGUA H1'    10 URA  H5      6.30 
  8 RGUA H1'    11 RADE H2      5.40 
  8 RGUA H1'    12 RGUA H1      5.40 
  8 RGUA H2'     9 URA  H5"     5.40 
  8 RGUA H2'     9 URA  H5'     5.40 
  8 RGUA H2'     9 URA  H6      5.40 
  8 RGUA H2'    10 URA  H5      3.80 
  8 RGUA H2'    10 URA  H6      5.40 
  8 RGUA H2'    11 RADE H2      6.30 
  8 RGUA H3'     9 URA  H6      5.40 
  8 RGUA H4'     8 RGUA H1'     3.80 
  8 RGUA H4'     8 RGUA H8      5.40 
  8 RGUA H4'     9 URA  H2'     5.40 
  8 RGUA H4'     9 URA  H3'     5.40 
  8 RGUA H5"     8 RGUA H1'     5.40 
  8 RGUA H5"     8 RGUA H8      5.40 
  8 RGUA H5"     9 URA  H5      6.30 
  8 RGUA H5'     8 RGUA H1'     5.40 
  8 RGUA H5'     8 RGUA H8      5.40 
  8 RGUA H5'     9 URA  H5      6.30 
  8 RGUA H2'     8 RGUA H8      3.80 
  8 RGUA H3'     8 RGUA H8      3.80 
  9 URA  H1'    10 URA  H5"     5.40 
  9 URA  H1'    10 URA  H5'     5.40 
  9 URA  H1'    10 URA  H6      6.30 
  9 URA  H1'    11 RADE H1'     6.30 
  9 URA  H1'    11 RADE H8      6.30 
  9 URA  H3'     9 URA  H2'     2.80 
  9 URA  H2'    10 URA  H5"     5.40 
  9 URA  H2'    10 URA  H5'     5.40 
  9 URA  H2'    10 URA  H6      5.40 
  9 URA  H2'    11 RADE H8      6.30 
  9 URA  H3'    10 URA  H5      5.40 
  9 URA  H3'    10 URA  H5"     5.40 
  9 URA  H3'    10 URA  H5'     5.40 
  9 URA  H3'    10 URA  H6      5.40 
  9 URA  H4'     9 URA  H1'     3.80 
  9 URA  H4'     9 URA  H3'     2.80 
  9 URA  H4'     9 URA  H6      5.40 
  9 URA  H4'    10 URA  H5      5.40 
  9 URA  H4'    10 URA  H5"     5.40 
  9 URA  H4'    10 URA  H5'     5.40 
  9 URA  H4'    10 URA  H6      5.40 
  9 URA  H2'     9 URA  H5      5.40 
  9 URA  H5"     9 URA  H1'     6.30 
  9 URA  H5"     9 URA  H3'     3.80 
  9 URA  H5"     9 URA  H4'     2.80 
  9 URA  H5"     9 URA  H6      5.40 
  9 URA  H5"    10 URA  H5      5.40 
  9 URA  H5'     9 URA  H1'     6.30 
  9 URA  H5'     9 URA  H3'     3.80 
  9 URA  H5'     9 URA  H4'     2.80 
  9 URA  H5'     9 URA  H6      5.40 
  9 URA  H5'    10 URA  H5      5.40 
  9 URA  H2'     9 URA  H6      2.80 
  9 URA  H3'     9 URA  H6      3.80 
 10 URA  H1'    11 RADE H2      5.40 
 10 URA  H1'    11 RADE H5"     6.30 
 10 URA  H1'    11 RADE H5'     6.30 
 10 URA  H3'    10 URA  H2'     2.80 
 10 URA  H3'    11 RADE H1'     6.30 
 10 URA  H3'    11 RADE H8      6.30 
 10 URA  H4'    10 URA  H1'     3.80 
 10 URA  H4'    10 URA  H6      5.40 
 10 URA  H4'    11 RADE H1'     5.40 
 10 URA  H4'    11 RADE H2      6.30 
 10 URA  H4'    11 RADE H2'     5.40 
 10 URA  H4'    11 RADE H3'     5.40 
 10 URA  H4'    11 RADE H5"     3.80 
 10 URA  H4'    11 RADE H5'     3.80 
 10 URA  H4'    11 RADE H8      6.30 
 10 URA  H2'    10 URA  H5      5.40 
 10 URA  H5"    10 URA  H1'     5.40 
 10 URA  H5"    10 URA  H2'     5.40 
 10 URA  H5"    10 URA  H3'     3.80 
 10 URA  H5"    10 URA  H4'     2.80 
 10 URA  H5"    10 URA  H6      5.40 
 10 URA  H5"    11 RADE H1'     6.30 
 10 URA  H5"    11 RADE H4'     6.30 
 10 URA  H5"    11 RADE H5"     6.30 
 10 URA  H5"    11 RADE H5'     6.30 
 10 URA  H5"    11 RADE H8      6.30 
 10 URA  H5'    10 URA  H1'     5.40 
 10 URA  H5'    10 URA  H2'     5.40 
 10 URA  H5'    10 URA  H3'     3.80 
 10 URA  H5'    10 URA  H4'     2.80 
 10 URA  H5'    10 URA  H6      5.40 
 10 URA  H5'    11 RADE H1'     6.30 
 10 URA  H5'    11 RADE H4'     6.30 
 10 URA  H5'    11 RADE H5"     6.30 
 10 URA  H5'    11 RADE H5'     6.30 
 10 URA  H5'    11 RADE H8      6.30 
 10 URA  H2'    10 URA  H6      2.80 
 10 URA  H3'    10 URA  H6      5.40 
 11 RADE H3'    11 RADE H1'     3.80 
 11 RADE H1'    11 RADE H8      2.80 
 11 RADE H1'    12 RGUA H1'     5.40 
 11 RADE H1'    12 RGUA H4'     5.40 
 11 RADE H1'    12 RGUA H8      6.30 
 11 RADE H2     12 RGUA H1'     6.30 
 11 RADE H3'    11 RADE H2'     2.80 
 11 RADE H2'    12 RGUA H1'     6.30 
 11 RADE H2'    12 RGUA H8      5.40 
 11 RADE H3'    12 RGUA H4'     5.40 
 11 RADE H3'    12 RGUA H5"     5.40 
 11 RADE H3'    12 RGUA H5'     5.40 
 11 RADE H3'    12 RGUA H8      5.40 
 11 RADE H4'    11 RADE H1'     3.80 
 11 RADE H4'    11 RADE H8      6.30 
 11 RADE H5"    11 RADE H1'     5.40 
 11 RADE H5"    11 RADE H2      6.30 
 11 RADE H5"    11 RADE H2'     5.40 
 11 RADE H5"    11 RADE H3'     3.80 
 11 RADE H5"    11 RADE H4'     2.80 
 11 RADE H5'    11 RADE H1'     5.40 
 11 RADE H5'    11 RADE H2      6.30 
 11 RADE H5'    11 RADE H2'     5.40 
 11 RADE H5'    11 RADE H3'     3.80 
 11 RADE H5'    11 RADE H4'     2.80 
 11 RADE H2'    11 RADE H8      3.80 
 11 RADE H3'    11 RADE H8      5.40 
 12 RGUA H1     13 RADE H1'     5.40 
 12 RGUA H1     13 RADE H2      5.40 
 12 RGUA H1     13 RADE Q6      6.27 
 12 RGUA H1'    13 RADE H8      5.40 
 12 RGUA H2'    13 RADE H1'     5.40 
 12 RGUA H2'    13 RADE H4'     5.40 
 12 RGUA H2'    13 RADE H8      2.80 
 12 RGUA H3'    13 RADE H1'     6.30 
 12 RGUA H3'    13 RADE H8      3.80 
 12 RGUA H4'    12 RGUA H1'     5.40 
 12 RGUA H4'    12 RGUA H8      5.40 
 12 RGUA H4'    13 RADE H8      5.40 
 12 RGUA H5"    12 RGUA H2'     5.40 
 12 RGUA H5"    12 RGUA H8      5.40 
 12 RGUA H5'    12 RGUA H2'     5.40 
 12 RGUA H5'    12 RGUA H8      5.40 
 12 RGUA H2'    12 RGUA H8      5.40 
 12 RGUA H3'    12 RGUA H8      3.80 
 12 RGUA Q2     13 RADE H1'     6.27 
 12 RGUA Q2     13 RADE H2      6.27 
 13 RADE H1'    13 RADE H2      5.40 
 13 RADE H1'    13 RADE H8      3.80 
 13 RADE H1'    14 RADE H8      5.40 
 13 RADE H2'    13 RADE H2      5.40 
 13 RADE H2     14 RADE H1'     3.80 
 13 RADE H2     14 RADE H2      5.40 
 13 RADE H2'    14 RADE H8      2.80 
 13 RADE H3'    14 RADE H8      3.80 
 13 RADE H4'    13 RADE H1'     5.40 
 13 RADE H4'    13 RADE H8      5.40 
 13 RADE H4'    14 RADE H8      5.40 
 13 RADE H5"    13 RADE H3'     3.80 
 13 RADE H5"    13 RADE H8      5.40 
 13 RADE H5'    13 RADE H3'     3.80 
 13 RADE H5'    13 RADE H8      5.40 
 13 RADE H3'    13 RADE H8      3.80 
 13 RADE Q6     14 RADE H2      7.17 
 14 RADE H2'    14 RADE H1'     2.80 
 14 RADE H1'    14 RADE H8      3.80 
 14 RADE H1'    15 RCYT H6      5.40 
 14 RADE H2'    14 RADE H2      5.40 
 14 RADE H2     15 RCYT H1'     3.80 
 14 RADE H2     15 RCYT Q4      6.27 
 14 RADE H3'    14 RADE H2'     2.80 
 14 RADE H2'    15 RCYT H5      3.80 
 14 RADE H2'    15 RCYT H6      2.80 
 14 RADE H3'    15 RCYT H5      5.40 
 14 RADE H3'    15 RCYT H6      3.80 
 14 RADE H4'    14 RADE H1'     3.80 
 14 RADE H4'    14 RADE H8      5.40 
 14 RADE H5"    14 RADE H1'     5.40 
 14 RADE H5"    14 RADE H4'     2.80 
 14 RADE H5"    14 RADE H8      5.40 
 14 RADE H5'    14 RADE H1'     5.40 
 14 RADE H5'    14 RADE H4'     2.80 
 14 RADE H5'    14 RADE H8      5.40 
 14 RADE H2'    14 RADE H8      5.40 
 14 RADE H3'    14 RADE H8      3.80 
 14 RADE H8     15 RCYT H5      5.40 
 14 RADE H8     15 RCYT H6      5.40 
 14 RADE Q6     15 RCYT H41     6.27 
 14 RADE Q6     15 RCYT H42     4.67 
 15 RCYT H2'    15 RCYT H1'     2.80 
 15 RCYT H1'    16 RGUA H8      5.40 
 15 RCYT H2'    16 RGUA H1'     5.40 
 15 RCYT H3'    16 RGUA H8      3.80 
 15 RCYT H4'    15 RCYT H1'     3.80 
 15 RCYT H4'    15 RCYT H6      5.40 
 15 RCYT H4'    16 RGUA H8      5.40 
 15 RCYT H3'    15 RCYT H5      5.40 
 15 RCYT H5"    15 RCYT H1'     5.40 
 15 RCYT H5"    15 RCYT H3'     3.80 
 15 RCYT H5"    15 RCYT H4'     2.80 
 15 RCYT H5"    15 RCYT H6      5.40 
 15 RCYT H5'    15 RCYT H1'     5.40 
 15 RCYT H5'    15 RCYT H3'     3.80 
 15 RCYT H5'    15 RCYT H4'     2.80 
 15 RCYT H5'    15 RCYT H6      5.40 
 15 RCYT H2'    15 RCYT H6      5.40 
 15 RCYT H3'    15 RCYT H6      3.80 
 15 RCYT Q4     16 RGUA H8      7.17 
 16 RGUA H1     17 URA  H3      3.80 
 16 RGUA H2'    16 RGUA H1'     2.80 
 16 RGUA H3'    16 RGUA H1'     3.80 
 16 RGUA H1'    16 RGUA H8      3.80 
 16 RGUA H1'    17 URA  H5"     6.30 
 16 RGUA H1'    17 URA  H5'     6.30 
 16 RGUA H1'    17 URA  H6      5.40 
 16 RGUA H3'    16 RGUA H2'     2.80 
 16 RGUA H2'    17 URA  H1'     5.40 
 16 RGUA H2'    17 URA  H3'     5.40 
 16 RGUA H2'    17 URA  H5      3.80 
 16 RGUA H2'    17 URA  H5"     5.40 
 16 RGUA H2'    17 URA  H5'     5.40 
 16 RGUA H2'    17 URA  H6      2.80 
 16 RGUA H3'    17 URA  H5      3.80 
 16 RGUA H3'    17 URA  H6      3.80 
 16 RGUA H4'    16 RGUA H1'     3.80 
 16 RGUA H4'    16 RGUA H8      5.40 
 16 RGUA H4'    17 URA  H6      5.40 
 16 RGUA H5"    16 RGUA H1'     5.40 
 16 RGUA H5"    16 RGUA H3'     3.80 
 16 RGUA H5"    16 RGUA H8      5.40 
 16 RGUA H5'    16 RGUA H1'     5.40 
 16 RGUA H5'    16 RGUA H3'     3.80 
 16 RGUA H5'    16 RGUA H8      5.40 
 16 RGUA H2'    16 RGUA H8      5.40 
 16 RGUA H3'    16 RGUA H8      3.80 
 16 RGUA Q2     17 URA  H1'     6.27 
 17 URA  H2'    17 URA  H1'     2.80 
 17 URA  H3'    17 URA  H1'     3.80 
 17 URA  H1'    18 RCYT H6      5.40 
 17 URA  H2'    18 RCYT H1'     5.40 
 17 URA  H2'    18 RCYT H2'     5.40 
 17 URA  H2'    18 RCYT H3'     5.40 
 17 URA  H2'    18 RCYT H5      3.80 
 17 URA  H2'    18 RCYT H6      2.80 
 17 URA  H3     18 RCYT H41     5.40 
 17 URA  H3     18 RCYT H42     5.40 
 17 URA  H3     18 RCYT H5      5.40 
 17 URA  H3     18 RCYT Q4      4.67 
 17 URA  H3'    18 RCYT H5      5.40 
 17 URA  H3'    18 RCYT H6      5.40 
 17 URA  H4'    17 URA  H1'     3.80 
 17 URA  H4'    17 URA  H2'     3.80 
 17 URA  H4'    17 URA  H6      5.40 
 17 URA  H2'    17 URA  H5      5.40 
 17 URA  H5     18 RCYT H5      5.40 
 17 URA  H5"    17 URA  H6      5.40 
 17 URA  H5'    17 URA  H6      5.40 
 17 URA  H2'    17 URA  H6      5.40 
 17 URA  H3'    17 URA  H6      3.80 
 17 URA  H6     18 RCYT H5      5.40 
 18 RCYT H2'    18 RCYT H1'     2.80 
 18 RCYT H1'    18 RCYT H5      5.40 
 18 RCYT H4'    18 RCYT H1'     3.80 
 18 RCYT H4'    18 RCYT H6      5.40 
 18 RCYT H2'    18 RCYT H5      5.40 
 18 RCYT H3'    18 RCYT H5      5.40 
 18 RCYT H5"    18 RCYT H1'     5.40 
 18 RCYT H5"    18 RCYT H2'     5.40 
 18 RCYT H5"    18 RCYT H3'     3.80 
 18 RCYT H5"    18 RCYT H4'     2.80 
 18 RCYT H5"    18 RCYT H6      5.40 
 18 RCYT H5'    18 RCYT H1'     5.40 
 18 RCYT H5'    18 RCYT H2'     5.40 
 18 RCYT H5'    18 RCYT H3'     3.80 
 18 RCYT H5'    18 RCYT H4'     2.80 
 18 RCYT H5'    18 RCYT H6      5.40 
 18 RCYT H2'    18 RCYT H6      3.80 
 18 RCYT H3'    18 RCYT H6      3.80 
  1 RGUA Q5'     1 RGUA H2'     6.28 
  1 RGUA Q5'     1 RGUA H1'     6.28 
  1 RGUA Q5'     1 RGUA H8      4.58 
  1 RGUA H2'     2 RGUA Q5'     6.28 
  1 RGUA H1'     2 RGUA Q5'     7.18 
  2 RGUA Q5'     2 RGUA H3'     3.95 
  2 RGUA Q5'     2 RGUA H2'     6.28 
  2 RGUA H2'     3 RCYT Q5'     4.58 
  2 RGUA Q2     17 URA  H3      6.27 
  3 RCYT Q5'     3 RCYT H3'     3.95 
  3 RCYT Q5'     3 RCYT H2'     6.28 
  3 RCYT H2'     4 RGUA Q5'     6.28 
  4 RGUA Q5'     4 RGUA H3'     3.95 
  4 RGUA Q5'     4 RGUA H8      4.58 
  4 RGUA H2'     5 URA  Q5'     6.28 
  4 RGUA Q2     16 RGUA H1      6.27 
  5 URA  Q5'     5 URA  H1'     6.28 
  5 URA  Q5'     5 URA  H6      4.58 
  5 URA  H3'     6 URA  Q5'     6.28 
  5 URA  H2'     6 URA  Q5'     7.18 
  6 URA  Q5'     6 URA  H3'     3.95 
  6 URA  Q5'     6 URA  H2'     6.28 
  6 URA  Q5'     6 URA  H1'     6.28 
  6 URA  Q5'     6 URA  H6      4.58 
  7 RCYT Q5'     7 RCYT H1'     6.28 
  7 RCYT H1'     8 RGUA Q5'     7.18 
  8 RGUA Q5'     8 RGUA H3'     3.95 
  8 RGUA Q5'     8 RGUA H2'     6.28 
  8 RGUA Q5'     8 RGUA H8      4.58 
  8 RGUA H4'     9 URA  Q5'     7.18 
  9 URA  Q5'     9 URA  H2'     6.28 
  9 URA  Q5'     9 URA  H1'     5.80 
  9 URA  Q5'    10 URA  H6      6.28 
 10 URA  Q5'    10 URA  H3'     3.22 
 10 URA  Q5'    11 RADE Q5'     5.73 
 10 URA  Q5'    11 RADE H3'     7.18 
 10 URA  Q5'    11 RADE H2'     7.18 
 10 URA  H1'    11 RADE Q5'     5.80 
 11 RADE Q5'    12 RGUA H8      7.18 
 12 RGUA Q5'    12 RGUA H8      4.58 
 12 RGUA H2'    13 RADE Q5'     6.28 
 13 RADE Q5'    13 RADE H2'     6.28 
 13 RADE Q5'    13 RADE H1'     6.28 
 13 RADE Q5'    13 RADE H8      4.58 
 14 RADE Q5'    14 RADE H3'     3.95 
 14 RADE Q5'    14 RADE H2'     6.28 
 14 RADE Q5'    14 RADE H8      4.58 
 15 RCYT Q5'    15 RCYT H5      7.18 
 15 RCYT Q5'    15 RCYT H6      4.58 
 16 RGUA Q5'    16 RGUA H2'     6.28 
 16 RGUA Q5'    16 RGUA H8      4.58 
 17 URA  Q5'    17 URA  H1'     6.28 
 17 URA  Q5'    17 URA  H5      6.28 
 17 URA  H2'    18 RCYT Q5'     6.28 
 18 RCYT Q5'    18 RCYT H6      4.58 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  10.687  -9.637  -3.714
    2   2H5*    G   1          2H5*        G   1   9.845 -10.040  -2.201
    3    H4*    G   1           H4*        G   1   9.867 -11.772  -4.722
    4    H3*    G   1           H3*        G   1   7.787  -9.910  -3.583
    5    H2*    G   1           H2*        G   1   6.169 -11.396  -4.557
    6   2HO*    G   1          2HO*        G   1   7.628 -11.730  -6.457
    7    H1*    G   1           H1*        G   1   7.373 -13.686  -3.684
    8    H8     G   1           H8         G   1   7.785 -11.009  -1.056
    9    H1     G   1           H1         G   1   1.815 -13.367  -1.277
   10   1H2     G   1          1H2         G   1   1.529 -14.459  -3.272
   11   2H2     G   1          2H2         G   1   2.878 -14.683  -4.375
   12    H5T    G   1           HB         G   1  11.116 -12.014  -2.234
   13   1H5*    G   2          1H5*        G   2   6.801 -10.742  -7.708
   14   2H5*    G   2          2H5*        G   2   6.096  -9.313  -8.480
   15    H4*    G   2           H4*        G   2   4.627 -11.373  -8.519
   16    H3*    G   2           H3*        G   2   3.637  -8.854  -7.172
   17    H2*    G   2           H2*        G   2   1.533  -9.996  -6.868
   18   2HO*    G   2          2HO*        G   2   1.838 -10.956  -9.069
   19    H1*    G   2           H1*        G   2   2.630 -12.408  -6.149
   20    H8     G   2           H8         G   2   4.726  -9.942  -4.253
   21    H1     G   2           H1         G   2  -1.164 -10.842  -1.796
   22   1H2     G   2          1H2         G   2  -2.483 -11.799  -3.328
   23   2H2     G   2          2H2         G   2  -1.854 -12.292  -4.894
   24   1H5*    C   3          1H5*        C   3   0.513  -9.908  -9.998
   25   2H5*    C   3          2H5*        C   3  -0.080  -8.416 -10.752
   26    H4*    C   3           H4*        C   3  -1.881  -9.613  -9.546
   27    H3*    C   3           H3*        C   3  -1.028  -6.947  -8.363
   28    H2*    C   3           H2*        C   3  -2.920  -7.171  -6.888
   29   2HO*    C   3          2HO*        C   3  -4.153  -8.155  -8.727
   30    H1*    C   3           H1*        C   3  -2.459  -9.835  -6.353
   31   1H4     C   3          1H4         C   3   0.293  -6.885  -1.481
   32   2H4     C   3          2H4         C   3   1.767  -6.612  -2.392
   33    H5     C   3           H5         C   3   1.919  -7.147  -4.845
   34    H6     C   3           H6         C   3   0.715  -8.018  -6.714
   35   1H5*    G   4          1H5*        G   4  -5.305  -6.630  -8.990
   36   2H5*    G   4          2H5*        G   4  -5.694  -4.957  -9.430
   37    H4*    G   4           H4*        G   4  -6.853  -5.721  -7.358
   38    H3*    G   4           H3*        G   4  -4.864  -3.473  -7.003
   39    H2*    G   4           H2*        G   4  -5.756  -3.345  -4.762
   40   2HO*    G   4          2HO*        G   4  -7.954  -3.835  -5.637
   41    H1*    G   4           H1*        G   4  -5.739  -6.024  -4.329
   42    H8     G   4           H8         G   4  -2.617  -5.056  -6.248
   43    H1     G   4           H1         G   4  -2.413  -3.694   0.043
   44   1H2     G   4          1H2         G   4  -4.553  -3.649   0.856
   45   2H2     G   4          2H2         G   4  -5.891  -4.155  -0.157
   46   1H5*    U   5          1H5*        U   5  -8.861  -2.299  -5.499
   47   2H5*    U   5          2H5*        U   5  -9.106  -0.563  -5.729
   48    H4*    U   5           H4*        U   5  -9.343  -1.365  -3.346
   49    H3*    U   5           H3*        U   5  -7.222   0.703  -3.984
   50    H2*    U   5           H2*        U   5  -6.913   0.876  -1.585
   51   2HO*    U   5          2HO*        U   5  -9.253   0.602  -1.236
   52    H1*    U   5           H1*        U   5  -6.940  -1.837  -1.162
   53    H3     U   5           H3         U   5  -2.670  -0.395  -0.414
   54    H5     U   5           H5         U   5  -2.896  -1.354  -4.521
   55    H6     U   5           H6         U   5  -5.269  -1.448  -4.330
   56   1H5*    U   6          1H5*        U   6  -9.953   2.137  -0.780
   57   2H5*    U   6          2H5*        U   6 -10.103   3.900  -0.820
   58    H4*    U   6           H4*        U   6  -9.217   2.890   1.360
   59    H3*    U   6           H3*        U   6  -7.620   4.979  -0.138
   60    H2*    U   6           H2*        U   6  -6.048   4.926   1.685
   61   2HO*    U   6          2HO*        U   6  -7.873   4.790   3.219
   62    H1*    U   6           H1*        U   6  -6.157   2.175   2.066
   63    H3     U   6           H3         U   6  -1.868   2.801   0.712
   64    H5     U   6           H5         U   6  -4.138   3.016  -2.827
   65    H6     U   6           H6         U   6  -6.140   3.079  -1.494
   66   1H5*    C   7          1H5*        C   7  -8.067   6.386   4.095
   67   2H5*    C   7          2H5*        C   7  -8.146   8.158   4.084
   68    H4*    C   7           H4*        C   7  -6.181   7.213   5.380
   69    H3*    C   7           H3*        C   7  -5.663   8.984   2.988
   70    H2*    C   7           H2*        C   7  -3.336   8.834   3.446
   71   2HO*    C   7          2HO*        C   7  -2.517   8.097   5.378
   72    H1*    C   7           H1*        C   7  -3.407   6.139   4.259
   73   1H4     C   7          1H4         C   7  -0.899   6.073  -1.561
   74   2H4     C   7          2H4         C   7  -2.417   6.543  -2.325
   75    H5     C   7           H5         C   7  -4.477   6.995  -0.980
   76    H6     C   7           H6         C   7  -5.330   7.195   1.257
   77   1H5*    G   8          1H5*        G   8  -3.065  10.727   5.566
   78   2H5*    G   8          2H5*        G   8  -3.348  12.475   5.627
   79    H4*    G   8           H4*        G   8  -1.048  11.968   4.870
   80    H3*    G   8           H3*        G   8  -2.964  13.294   2.948
   81    H2*    G   8           H2*        G   8  -1.343  13.315   1.252
   82   2HO*    G   8          2HO*        G   8   0.293  14.096   2.757
   83    H1*    G   8           H1*        G   8  -0.104  10.901   1.869
   84    H8     G   8           H8         G   8  -3.949  10.703   1.826
   85    H1     G   8           H1         G   8  -1.012   9.283  -3.717
   86   1H2     G   8          1H2         G   8   1.192   9.997  -3.608
   87   2H2     G   8          2H2         G   8   1.763  10.816  -2.167
   88   1H5*    U   9          1H5*        U   9   0.456  17.798   3.773
   89   2H5*    U   9          2H5*        U   9   0.559  17.322   2.067
   90    H4*    U   9           H4*        U   9   2.796  17.721   2.812
   91    H3*    U   9           H3*        U   9   2.116  15.179   1.835
   92    H2*    U   9           H2*        U   9   2.062  14.071   3.879
   93   2HO*    U   9          2HO*        U   9   4.617  14.100   2.801
   94    H1*    U   9           H1*        U   9   4.434  15.672   4.786
   95    H3     U   9           H3         U   9   4.020  13.968   9.054
   96    H5     U   9           H5         U   9   0.071  13.863   7.585
   97    H6     U   9           H6         U   9   0.885  14.838   5.503
   98   1H5*    U  10          1H5*        U  10   3.875  13.428   0.489
   99   2H5*    U  10          2H5*        U  10   5.287  14.061  -0.369
  100    H4*    U  10           H4*        U  10   4.341  12.292  -1.735
  101    H3*    U  10           H3*        U  10   4.806  14.756  -2.765
  102    H2*    U  10           H2*        U  10   2.525  15.550  -2.549
  103   2HO*    U  10          2HO*        U  10   3.064  14.386  -5.022
  104    H1*    U  10           H1*        U  10   1.648  12.801  -3.496
  105    H3     U  10           H3         U  10  -2.789  13.627  -3.022
  106    H5     U  10           H5         U  10  -1.079  15.813   0.142
  107    H6     U  10           H6         U  10   1.106  15.097  -0.598
  108   1H5*    A  11          1H5*        A  11   6.444   9.790  -3.808
  109   2H5*    A  11          2H5*        A  11   5.296  10.876  -3.049
  110    H4*    A  11           H4*        A  11   7.995  11.909  -3.125
  111    H3*    A  11           H3*        A  11   7.327   9.443  -1.509
  112    H2*    A  11           H2*        A  11   8.713  10.305   0.258
  113   2HO*    A  11          2HO*        A  11  10.340  11.216  -1.217
  114    H1*    A  11           H1*        A  11   7.694  12.812   0.109
  115    H8     A  11           H8         A  11   7.309  12.099   2.468
  116   1H6     A  11          1H6         A  11   1.647   9.705   2.989
  117   2H6     A  11          2H6         A  11   3.007  10.440   3.833
  118    H2     A  11           H2         A  11   2.900   9.317  -1.273
  119   1H5*    G  12          1H5*        G  12   9.924   6.280  -0.492
  120   2H5*    G  12          2H5*        G  12   8.544   6.999  -1.364
  121    H4*    G  12           H4*        G  12   9.058   7.705   1.542
  122    H3*    G  12           H3*        G  12   7.592   5.273   0.472
  123    H2*    G  12           H2*        G  12   6.109   5.540   2.372
  124   2HO*    G  12          2HO*        G  12   8.043   6.263   3.674
  125    H1*    G  12           H1*        G  12   5.784   8.210   2.026
  126    H8     G  12           H8         G  12   6.140   6.855  -1.475
  127    H1     G  12           H1         G  12   0.265   6.141   1.032
  128   1H2     G  12          1H2         G  12   0.370   6.477   3.285
  129   2H2     G  12          2H2         G  12   1.881   6.912   4.073
  130   1H5*    A  13          1H5*        A  13   8.071   4.582   4.740
  131   2H5*    A  13          2H5*        A  13   8.237   2.846   5.049
  132    H4*    A  13           H4*        A  13   6.267   3.913   6.180
  133    H3*    A  13           H3*        A  13   5.655   1.734   4.188
  134    H2*    A  13           H2*        A  13   3.355   1.969   4.977
  135   2HO*    A  13          2HO*        A  13   4.132   2.399   7.192
  136    H1*    A  13           H1*        A  13   3.332   4.679   4.799
  137    H8     A  13           H8         A  13   5.469   3.585   1.869
  138   1H6     A  13          1H6         A  13   0.114   2.522  -1.077
  139   2H6     A  13          2H6         A  13   1.867   2.604  -1.224
  140    H2     A  13           H2         A  13  -0.813   3.212   3.238
  141   1H5*    A  14          1H5*        A  14   3.855   0.961   8.181
  142   2H5*    A  14          2H5*        A  14   3.666  -0.773   8.485
  143    H4*    A  14           H4*        A  14   1.530   0.623   8.554
  144    H3*    A  14           H3*        A  14   1.762  -1.752   6.695
  145    H2*    A  14           H2*        A  14  -0.556  -1.366   6.103
  146   2HO*    A  14          2HO*        A  14  -0.910  -0.717   8.438
  147    H1*    A  14           H1*        A  14  -0.324   1.344   5.834
  148    H8     A  14           H8         A  14   2.913  -0.039   4.427
  149   1H6     A  14          1H6         A  14  -0.202  -0.882  -0.854
  150   2H6     A  14          2H6         A  14   1.362  -0.909  -0.052
  151    H2     A  14           H2         A  14  -3.180   0.100   2.351
  152   1H5*    C  15          1H5*        C  15  -1.944  -2.179   9.007
  153   2H5*    C  15          2H5*        C  15  -2.272  -3.888   9.340
  154    H4*    C  15           H4*        C  15  -4.066  -2.724   8.014
  155    H3*    C  15           H3*        C  15  -2.644  -5.053   6.701
  156    H2*    C  15           H2*        C  15  -4.325  -4.849   4.949
  157   2HO*    C  15          2HO*        C  15  -5.932  -4.278   6.663
  158    H1*    C  15           H1*        C  15  -4.129  -2.120   4.793
  159   1H4     C  15          1H4         C  15  -0.085  -4.074   0.279
  160   2H4     C  15          2H4         C  15   1.175  -4.333   1.466
  161    H5     C  15           H5         C  15   0.784  -4.110   3.908
  162    H6     C  15           H6         C  15  -0.852  -3.602   5.573
  163   1H5*    G  16          1H5*        G  16  -6.976  -5.882   6.624
  164   2H5*    G  16          2H5*        G  16  -7.221  -7.609   6.940
  165    H4*    G  16           H4*        G  16  -8.257  -6.861   4.796
  166    H3*    G  16           H3*        G  16  -6.032  -8.902   4.673
  167    H2*    G  16           H2*        G  16  -6.400  -9.011   2.300
  168   2HO*    G  16          2HO*        G  16  -8.807  -8.742   2.881
  169    H1*    G  16           H1*        G  16  -6.780  -6.339   1.916
  170    H8     G  16           H8         G  16  -3.842  -6.725   4.318
  171    H1     G  16           H1         G  16  -2.308  -7.576  -1.864
  172   1H2     G  16          1H2         G  16  -4.194  -8.150  -3.023
  173   2H2     G  16          2H2         G  16  -5.776  -8.075  -2.255
  174   1H5*    U  17          1H5*        U  17  -8.774 -10.615   2.013
  175   2H5*    U  17          2H5*        U  17  -8.920 -12.323   2.407
  176    H4*    U  17           H4*        U  17  -8.069 -12.076   0.119
  177    H3*    U  17           H3*        U  17  -6.027 -13.069   2.126
  178    H2*    U  17           H2*        U  17  -4.478 -13.297   0.355
  179   2HO*    U  17          2HO*        U  17  -5.869 -14.281  -1.130
  180    H1*    U  17           H1*        U  17  -5.275 -10.985  -0.998
  181    H3     U  17           H3         U  17  -0.945 -10.160   0.246
  182    H5     U  17           H5         U  17  -3.067 -10.118   3.873
  183    H6     U  17           H6         U  17  -5.058 -10.755   2.691
  184   1H5*    C  18          1H5*        C  18  -6.624 -16.043  -1.499
  185   2H5*    C  18          2H5*        C  18  -6.368 -17.647  -0.778
  186    H4*    C  18           H4*        C  18  -4.953 -17.280  -2.811
  187    H3*    C  18           H3*        C  18  -3.565 -17.649  -0.134
  188    H2*    C  18           H2*        C  18  -1.473 -17.521  -1.238
  189   2HO*    C  18          2HO*        C  18  -2.665 -18.851  -2.979
  190    H1*    C  18           H1*        C  18  -2.257 -15.598  -3.127
  191   1H4     C  18          1H4         C  18   1.126 -12.251   1.089
  192   2H4     C  18          2H4         C  18  -0.060 -12.453   2.360
  193    H5     C  18           H5         C  18  -2.067 -13.949   2.050
  194    H6     C  18           H6         C  18  -3.234 -15.331   0.468
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  11.606 -10.698  -2.540
    2   2H5*    G   1          2H5*        G   1  11.131  -9.183  -3.332
    3    H4*    G   1           H4*        G   1  10.220 -11.122  -4.532
    4    H3*    G   1           H3*        G   1   8.140  -9.421  -3.160
    5    H2*    G   1           H2*        G   1   6.543 -10.776  -4.340
    6   2HO*    G   1          2HO*        G   1   7.987 -10.845  -6.261
    7    H1*    G   1           H1*        G   1   7.748 -13.153  -3.765
    8    H8     G   1           H8         G   1   8.128 -10.846  -0.805
    9    H1     G   1           H1         G   1   2.140 -13.086  -1.433
   10   1H2     G   1          1H2         G   1   1.891 -13.957  -3.535
   11   2H2     G   1          2H2         G   1   3.259 -14.062  -4.632
   12    H5T    G   1           HB         G   1  10.826  -8.978  -1.127
   13   1H5*    G   2          1H5*        G   2   7.232  -9.742  -7.430
   14   2H5*    G   2          2H5*        G   2   6.472  -8.253  -8.009
   15    H4*    G   2           H4*        G   2   5.126 -10.379  -8.352
   16    H3*    G   2           H3*        G   2   3.958  -8.070  -6.792
   17    H2*    G   2           H2*        G   2   1.891  -9.336  -6.730
   18   2HO*    G   2          2HO*        G   2   2.462 -10.083  -8.998
   19    H1*    G   2           H1*        G   2   3.068 -11.730  -6.129
   20    H8     G   2           H8         G   2   5.057  -9.376  -4.007
   21    H1     G   2           H1         G   2  -0.865 -10.525  -1.744
   22   1H2     G   2          1H2         G   2  -2.152 -11.346  -3.380
   23   2H2     G   2          2H2         G   2  -1.496 -11.697  -4.972
   24   1H5*    C   3          1H5*        C   3   0.967  -8.953  -9.768
   25   2H5*    C   3          2H5*        C   3   0.345  -7.428 -10.426
   26    H4*    C   3           H4*        C   3  -1.443  -8.796  -9.387
   27    H3*    C   3           H3*        C   3  -0.782  -6.180  -7.999
   28    H2*    C   3           H2*        C   3  -2.706  -6.611  -6.599
   29   2HO*    C   3          2HO*        C   3  -3.832  -7.523  -8.530
   30    H1*    C   3           H1*        C   3  -2.114  -9.270  -6.222
   31   1H4     C   3          1H4         C   3   0.407  -6.636  -1.071
   32   2H4     C   3          2H4         C   3   1.906  -6.284  -1.913
   33    H5     C   3           H5         C   3   2.148  -6.638  -4.382
   34    H6     C   3           H6         C   3   1.021  -7.393  -6.348
   35   1H5*    G   4          1H5*        G   4  -5.137  -6.119  -8.829
   36   2H5*    G   4          2H5*        G   4  -5.587  -4.448  -9.213
   37    H4*    G   4           H4*        G   4  -6.859  -5.383  -7.281
   38    H3*    G   4           H3*        G   4  -5.044  -3.036  -6.701
   39    H2*    G   4           H2*        G   4  -6.027  -3.065  -4.493
   40   2HO*    G   4          2HO*        G   4  -8.154  -3.637  -5.507
   41    H1*    G   4           H1*        G   4  -5.896  -5.763  -4.174
   42    H8     G   4           H8         G   4  -2.766  -4.544  -5.958
   43    H1     G   4           H1         G   4  -2.686  -3.686   0.414
   44   1H2     G   4          1H2         G   4  -4.837  -3.710   1.191
   45   2H2     G   4          2H2         G   4  -6.164  -4.135   0.123
   46   1H5*    U   5          1H5*        U   5  -9.143  -2.071  -5.313
   47   2H5*    U   5          2H5*        U   5  -9.441  -0.335  -5.502
   48    H4*    U   5           H4*        U   5  -9.677  -1.191  -3.141
   49    H3*    U   5           H3*        U   5  -7.580   0.926  -3.699
   50    H2*    U   5           H2*        U   5  -7.250   1.007  -1.302
   51   2HO*    U   5          2HO*        U   5  -9.616   0.694  -1.000
   52    H1*    U   5           H1*        U   5  -7.287  -1.720  -0.963
   53    H3     U   5           H3         U   5  -2.990  -0.469  -0.142
   54    H5     U   5           H5         U   5  -3.233  -0.994  -4.316
   55    H6     U   5           H6         U   5  -5.616  -1.091  -4.127
   56   1H5*    U   6          1H5*        U   6 -10.244   2.291  -0.388
   57   2H5*    U   6          2H5*        U   6 -10.362   4.058  -0.400
   58    H4*    U   6           H4*        U   6  -9.435   3.041   1.737
   59    H3*    U   6           H3*        U   6  -7.756   5.029   0.186
   60    H2*    U   6           H2*        U   6  -6.168   4.900   1.997
   61   2HO*    U   6          2HO*        U   6  -8.065   4.799   3.511
   62    H1*    U   6           H1*        U   6  -6.378   2.164   2.341
   63    H3     U   6           H3         U   6  -2.140   2.542   0.778
   64    H5     U   6           H5         U   6  -4.547   3.099  -2.628
   65    H6     U   6           H6         U   6  -6.476   3.218  -1.196
   66   1H5*    C   7          1H5*        C   7  -7.943   6.538   4.365
   67   2H5*    C   7          2H5*        C   7  -7.907   8.311   4.318
   68    H4*    C   7           H4*        C   7  -5.962   7.284   5.549
   69    H3*    C   7           H3*        C   7  -5.409   8.941   3.076
   70    H2*    C   7           H2*        C   7  -3.066   8.614   3.461
   71   2HO*    C   7          2HO*        C   7  -3.689   8.849   5.870
   72    H1*    C   7           H1*        C   7  -3.289   5.969   4.336
   73   1H4     C   7          1H4         C   7  -1.127   5.752  -1.636
   74   2H4     C   7          2H4         C   7  -2.679   6.232  -2.318
   75    H5     C   7           H5         C   7  -4.648   6.730  -0.855
   76    H6     C   7           H6         C   7  -5.357   6.988   1.420
   77   1H5*    G   8          1H5*        G   8  -2.361  10.582   5.280
   78   2H5*    G   8          2H5*        G   8  -2.615  12.339   5.309
   79    H4*    G   8           H4*        G   8  -0.434  11.794   4.297
   80    H3*    G   8           H3*        G   8  -2.570  12.960   2.503
   81    H2*    G   8           H2*        G   8  -1.121  12.978   0.680
   82   2HO*    G   8          2HO*        G   8   1.054  12.376   2.405
   83    H1*    G   8           H1*        G   8   0.185  10.579   1.328
   84    H8     G   8           H8         G   8  -3.610  10.200   1.597
   85    H1     G   8           H1         G   8  -1.153   9.273  -4.279
   86   1H2     G   8          1H2         G   8   1.006  10.184  -4.334
   87   2H2     G   8          2H2         G   8   1.654  10.940  -2.893
   88   1H5*    U   9          1H5*        U   9   0.812  16.726   4.138
   89   2H5*    U   9          2H5*        U   9   1.002  17.628   2.634
   90    H4*    U   9           H4*        U   9   3.188  17.125   2.651
   91    H3*    U   9           H3*        U   9   2.314  14.783   1.553
   92    H2*    U   9           H2*        U   9   1.711  13.785   3.560
   93   2HO*    U   9          2HO*        U   9   4.256  12.960   2.765
   94    H1*    U   9           H1*        U   9   4.379  14.536   4.733
   95    H3     U   9           H3         U   9   3.196  13.221   8.960
   96    H5     U   9           H5         U   9  -0.520  13.814   7.060
   97    H6     U   9           H6         U   9   0.679  14.542   5.070
   98   1H5*    U  10          1H5*        U  10   3.569  12.886   0.172
   99   2H5*    U  10          2H5*        U  10   5.183  13.141  -0.489
  100    H4*    U  10           H4*        U  10   3.993  11.866  -2.125
  101    H3*    U  10           H3*        U  10   5.108  14.256  -2.879
  102    H2*    U  10           H2*        U  10   3.088  15.530  -2.708
  103   2HO*    U  10          2HO*        U  10   3.517  14.486  -5.260
  104    H1*    U  10           H1*        U  10   1.631  13.185  -3.972
  105    H3     U  10           H3         U  10  -2.230  15.593  -3.937
  106    H5     U  10           H5         U  10  -0.461  16.578  -0.246
  107    H6     U  10           H6         U  10   1.398  15.136  -0.803
  108   1H5*    A  11          1H5*        A  11   6.124   9.354  -4.159
  109   2H5*    A  11          2H5*        A  11   5.065  10.524  -3.406
  110    H4*    A  11           H4*        A  11   7.831  11.361  -3.354
  111    H3*    A  11           H3*        A  11   6.988   8.790  -2.008
  112    H2*    A  11           H2*        A  11   8.333   9.401  -0.103
  113   2HO*    A  11          2HO*        A  11   9.929  10.280  -1.771
  114    H1*    A  11           H1*        A  11   7.636  12.092  -0.166
  115    H8     A  11           H8         A  11   7.276  11.214   2.265
  116   1H6     A  11          1H6         A  11   1.435   9.261   2.820
  117   2H6     A  11          2H6         A  11   2.847   9.912   3.649
  118    H2     A  11           H2         A  11   2.519   9.072  -1.505
  119   1H5*    G  12          1H5*        G  12  10.221   5.553  -0.407
  120   2H5*    G  12          2H5*        G  12   8.806   5.353  -1.441
  121    H4*    G  12           H4*        G  12   9.005   6.976   1.140
  122    H3*    G  12           H3*        G  12   7.464   4.499   0.298
  123    H2*    G  12           H2*        G  12   5.912   5.083   2.059
  124   2HO*    G  12          2HO*        G  12   7.805   5.795   3.397
  125    H1*    G  12           H1*        G  12   5.908   7.766   1.420
  126    H8     G  12           H8         G  12   5.926   6.263  -1.965
  127    H1     G  12           H1         G  12   0.182   5.851   0.884
  128   1H2     G  12          1H2         G  12   0.430   6.191   3.131
  129   2H2     G  12          2H2         G  12   2.002   6.576   3.821
  130   1H5*    A  13          1H5*        A  13   7.858   4.214   4.603
  131   2H5*    A  13          2H5*        A  13   7.998   2.512   5.081
  132    H4*    A  13           H4*        A  13   6.030   3.687   6.092
  133    H3*    A  13           H3*        A  13   5.421   1.373   4.251
  134    H2*    A  13           H2*        A  13   3.116   1.682   4.979
  135   2HO*    A  13          2HO*        A  13   3.696   2.177   7.171
  136    H1*    A  13           H1*        A  13   3.140   4.387   4.671
  137    H8     A  13           H8         A  13   5.216   3.083   1.783
  138   1H6     A  13          1H6         A  13  -0.232   2.295  -1.091
  139   2H6     A  13          2H6         A  13   1.519   2.302  -1.274
  140    H2     A  13           H2         A  13  -1.054   3.007   3.237
  141   1H5*    A  14          1H5*        A  14   3.641   0.853   8.337
  142   2H5*    A  14          2H5*        A  14   3.463  -0.866   8.731
  143    H4*    A  14           H4*        A  14   1.314   0.507   8.757
  144    H3*    A  14           H3*        A  14   1.554  -1.930   6.982
  145    H2*    A  14           H2*        A  14  -0.758  -1.575   6.369
  146   2HO*    A  14          2HO*        A  14  -1.172  -0.896   8.661
  147    H1*    A  14           H1*        A  14  -0.551   1.135   6.044
  148    H8     A  14           H8         A  14   2.659  -0.371   4.641
  149   1H6     A  14          1H6         A  14  -0.512  -1.001  -0.638
  150   2H6     A  14          2H6         A  14   1.054  -1.103   0.153
  151    H2     A  14           H2         A  14  -3.436   0.015   2.612
  152   1H5*    C  15          1H5*        C  15  -2.179  -2.328   9.332
  153   2H5*    C  15          2H5*        C  15  -2.483  -4.038   9.680
  154    H4*    C  15           H4*        C  15  -4.295  -2.916   8.342
  155    H3*    C  15           H3*        C  15  -2.833  -5.227   7.037
  156    H2*    C  15           H2*        C  15  -4.503  -5.044   5.275
  157   2HO*    C  15          2HO*        C  15  -6.133  -4.497   6.980
  158    H1*    C  15           H1*        C  15  -4.353  -2.311   5.126
  159   1H4     C  15          1H4         C  15  -0.234  -4.036   0.623
  160   2H4     C  15          2H4         C  15   1.018  -4.346   1.810
  161    H5     C  15           H5         C  15   0.583  -4.263   4.260
  162    H6     C  15           H6         C  15  -1.082  -3.829   5.920
  163   1H5*    G  16          1H5*        G  16  -7.134  -6.174   6.858
  164   2H5*    G  16          2H5*        G  16  -7.329  -7.924   7.069
  165    H4*    G  16           H4*        G  16  -8.277  -7.070   4.904
  166    H3*    G  16           H3*        G  16  -5.983  -9.031   4.778
  167    H2*    G  16           H2*        G  16  -6.259  -9.037   2.403
  168   2HO*    G  16          2HO*        G  16  -8.018  -8.210   1.382
  169    H1*    G  16           H1*        G  16  -6.653  -6.330   2.172
  170    H8     G  16           H8         G  16  -3.807  -6.887   4.639
  171    H1     G  16           H1         G  16  -2.114  -7.411  -1.542
  172   1H2     G  16          1H2         G  16  -3.973  -7.876  -2.786
  173   2H2     G  16          2H2         G  16  -5.572  -7.857  -2.056
  174   1H5*    U  17          1H5*        U  17  -8.634 -10.599   1.972
  175   2H5*    U  17          2H5*        U  17  -8.741 -12.348   2.169
  176    H4*    U  17           H4*        U  17  -7.903 -11.796  -0.078
  177    H3*    U  17           H3*        U  17  -5.866 -13.043   1.789
  178    H2*    U  17           H2*        U  17  -4.353 -13.112  -0.050
  179   2HO*    U  17          2HO*        U  17  -5.958 -13.795  -1.574
  180    H1*    U  17           H1*        U  17  -5.023 -10.603  -1.020
  181    H3     U  17           H3         U  17  -0.718 -10.156   0.474
  182    H5     U  17           H5         U  17  -3.014 -10.363   3.991
  183    H6     U  17           H6         U  17  -4.962 -10.791   2.667
  184   1H5*    C  18          1H5*        C  18  -6.391 -15.579  -2.094
  185   2H5*    C  18          2H5*        C  18  -6.154 -17.258  -1.566
  186    H4*    C  18           H4*        C  18  -4.686 -16.661  -3.491
  187    H3*    C  18           H3*        C  18  -3.335 -17.301  -0.844
  188    H2*    C  18           H2*        C  18  -1.237 -17.093  -1.943
  189   2HO*    C  18          2HO*        C  18  -2.445 -18.213  -3.811
  190    H1*    C  18           H1*        C  18  -2.000 -14.957  -3.589
  191   1H4     C  18          1H4         C  18   1.430 -12.237   1.021
  192   2H4     C  18          2H4         C  18   0.176 -12.459   2.221
  193    H5     C  18           H5         C  18  -1.894 -13.814   1.713
  194    H6     C  18           H6         C  18  -3.073 -14.982  -0.029
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  11.344 -11.420  -2.189
    2   2H5*    G   1          2H5*        G   1  10.971  -9.887  -3.001
    3    H4*    G   1           H4*        G   1  10.036 -11.783  -4.245
    4    H3*    G   1           H3*        G   1   7.965 -10.001  -2.960
    5    H2*    G   1           H2*        G   1   6.366 -11.286  -4.211
    6   2HO*    G   1          2HO*        G   1   7.881 -11.413  -6.070
    7    H1*    G   1           H1*        G   1   7.444 -13.710  -3.591
    8    H8     G   1           H8         G   1   7.798 -11.422  -0.613
    9    H1     G   1           H1         G   1   1.760 -13.439  -1.465
   10   1H2     G   1          1H2         G   1   1.550 -14.282  -3.580
   11   2H2     G   1          2H2         G   1   2.950 -14.439  -4.629
   12    H5T    G   1           HB         G   1  10.575  -9.667  -0.812
   13   1H5*    G   2          1H5*        G   2   7.243 -10.265  -7.276
   14   2H5*    G   2          2H5*        G   2   6.549  -8.753  -7.879
   15    H4*    G   2           H4*        G   2   5.171 -10.850  -8.287
   16    H3*    G   2           H3*        G   2   3.987  -8.506  -6.781
   17    H2*    G   2           H2*        G   2   1.890  -9.724  -6.803
   18   2HO*    G   2          2HO*        G   2   2.548 -10.497  -9.042
   19    H1*    G   2           H1*        G   2   2.981 -12.137  -6.136
   20    H8     G   2           H8         G   2   4.940  -9.813  -3.950
   21    H1     G   2           H1         G   2  -1.100 -10.763  -1.932
   22   1H2     G   2          1H2         G   2  -2.351 -11.539  -3.635
   23   2H2     G   2          2H2         G   2  -1.630 -11.922  -5.191
   24   1H5*    C   3          1H5*        C   3   1.044  -9.324  -9.765
   25   2H5*    C   3          2H5*        C   3   0.467  -7.793 -10.449
   26    H4*    C   3           H4*        C   3  -1.362  -9.095  -9.401
   27    H3*    C   3           H3*        C   3  -0.640  -6.477  -8.047
   28    H2*    C   3           H2*        C   3  -2.584  -6.837  -6.653
   29   2HO*    C   3          2HO*        C   3  -3.708  -7.771  -8.586
   30    H1*    C   3           H1*        C   3  -2.059  -9.497  -6.218
   31   1H4     C   3          1H4         C   3   0.528  -6.828  -1.115
   32   2H4     C   3          2H4         C   3   2.046  -6.579  -1.957
   33    H5     C   3           H5         C   3   2.286  -7.000  -4.410
   34    H6     C   3           H6         C   3   1.137  -7.748  -6.366
   35   1H5*    G   4          1H5*        G   4  -4.962  -6.346  -8.846
   36   2H5*    G   4          2H5*        G   4  -5.412  -4.675  -9.227
   37    H4*    G   4           H4*        G   4  -6.638  -5.614  -7.258
   38    H3*    G   4           H3*        G   4  -4.835  -3.244  -6.748
   39    H2*    G   4           H2*        G   4  -5.770  -3.258  -4.523
   40   2HO*    G   4          2HO*        G   4  -7.915  -3.856  -5.481
   41    H1*    G   4           H1*        G   4  -5.616  -5.948  -4.175
   42    H8     G   4           H8         G   4  -2.516  -4.745  -5.998
   43    H1     G   4           H1         G   4  -2.418  -3.695   0.345
   44   1H2     G   4          1H2         G   4  -4.570  -3.690   1.126
   45   2H2     G   4          2H2         G   4  -5.894  -4.151   0.071
   46   1H5*    U   5          1H5*        U   5  -8.930  -2.355  -5.298
   47   2H5*    U   5          2H5*        U   5  -9.273  -0.628  -5.485
   48    H4*    U   5           H4*        U   5  -9.460  -1.490  -3.121
   49    H3*    U   5           H3*        U   5  -7.437   0.688  -3.713
   50    H2*    U   5           H2*        U   5  -7.098   0.802  -1.317
   51   2HO*    U   5          2HO*        U   5  -9.456   0.393  -1.007
   52    H1*    U   5           H1*        U   5  -7.026  -1.920  -0.961
   53    H3     U   5           H3         U   5  -2.774  -0.481  -0.200
   54    H5     U   5           H5         U   5  -3.031  -1.137  -4.354
   55    H6     U   5           H6         U   5  -5.409  -1.289  -4.146
   56   1H5*    U   6          1H5*        U   6 -10.080   1.979  -0.396
   57   2H5*    U   6          2H5*        U   6 -10.273   3.739  -0.423
   58    H4*    U   6           H4*        U   6  -9.274   2.794   1.711
   59    H3*    U   6           H3*        U   6  -7.691   4.812   0.097
   60    H2*    U   6           H2*        U   6  -6.088   4.789   1.897
   61   2HO*    U   6          2HO*        U   6  -7.939   4.664   3.445
   62    H1*    U   6           H1*        U   6  -6.202   2.049   2.308
   63    H3     U   6           H3         U   6  -1.974   2.563   0.750
   64    H5     U   6           H5         U   6  -4.391   2.965  -2.673
   65    H6     U   6           H6         U   6  -6.331   3.019  -1.248
   66   1H5*    C   7          1H5*        C   7  -8.030   6.371   4.263
   67   2H5*    C   7          2H5*        C   7  -8.036   8.145   4.213
   68    H4*    C   7           H4*        C   7  -6.102   7.143   5.498
   69    H3*    C   7           H3*        C   7  -5.538   8.873   3.080
   70    H2*    C   7           H2*        C   7  -3.192   8.595   3.502
   71   2HO*    C   7          2HO*        C   7  -3.890   8.746   5.908
   72    H1*    C   7           H1*        C   7  -3.363   5.930   4.326
   73   1H4     C   7          1H4         C   7  -1.099   5.765  -1.609
   74   2H4     C   7          2H4         C   7  -2.605   6.354  -2.307
   75    H5     C   7           H5         C   7  -4.586   6.901  -0.880
   76    H6     C   7           H6         C   7  -5.347   7.102   1.385
   77   1H5*    G   8          1H5*        G   8  -2.692  10.526   5.471
   78   2H5*    G   8          2H5*        G   8  -2.979  12.273   5.576
   79    H4*    G   8           H4*        G   8  -0.749  11.824   4.657
   80    H3*    G   8           H3*        G   8  -2.799  13.056   2.801
   81    H2*    G   8           H2*        G   8  -1.198  13.153   1.074
   82   2HO*    G   8          2HO*        G   8   0.456  13.953   2.532
   83    H1*    G   8           H1*        G   8   0.063  10.746   1.630
   84    H8     G   8           H8         G   8  -3.759  10.421   1.821
   85    H1     G   8           H1         G   8  -1.160   9.252  -3.940
   86   1H2     G   8          1H2         G   8   1.038   9.998  -3.946
   87   2H2     G   8          2H2         G   8   1.691  10.782  -2.521
   88   1H5*    U   9          1H5*        U   9   0.449  17.692   3.285
   89   2H5*    U   9          2H5*        U   9   0.614  17.066   1.632
   90    H4*    U   9           H4*        U   9   2.803  17.679   2.482
   91    H3*    U   9           H3*        U   9   2.272  15.056   1.541
   92    H2*    U   9           H2*        U   9   2.375  13.979   3.566
   93   2HO*    U   9          2HO*        U   9   4.185  13.035   2.642
   94    H1*    U   9           H1*        U   9   4.526  15.876   4.455
   95    H3     U   9           H3         U   9   4.423  13.997   8.656
   96    H5     U   9           H5         U   9   0.457  13.547   7.297
   97    H6     U   9           H6         U   9   1.109  14.662   5.223
   98   1H5*    U  10          1H5*        U  10   3.774  13.474   0.231
   99   2H5*    U  10          2H5*        U  10   5.185  14.039  -0.663
  100    H4*    U  10           H4*        U  10   4.153  12.228  -1.946
  101    H3*    U  10           H3*        U  10   4.635  14.648  -3.124
  102    H2*    U  10           H2*        U  10   2.402  15.506  -2.877
  103   2HO*    U  10          2HO*        U  10   2.813  14.185  -5.292
  104    H1*    U  10           H1*        U  10   1.391  12.754  -3.633
  105    H3     U  10           H3         U  10  -2.967  13.891  -3.115
  106    H5     U  10           H5         U  10  -1.051  16.143  -0.121
  107    H6     U  10           H6         U  10   1.061  15.203  -0.827
  108   1H5*    A  11          1H5*        A  11   6.114   9.588  -3.988
  109   2H5*    A  11          2H5*        A  11   5.020  10.743  -3.256
  110    H4*    A  11           H4*        A  11   7.753  11.682  -3.401
  111    H3*    A  11           H3*        A  11   7.045   9.259  -1.737
  112    H2*    A  11           H2*        A  11   8.429  10.111   0.031
  113   2HO*    A  11          2HO*        A  11  10.079  10.995  -1.462
  114    H1*    A  11           H1*        A  11   7.496  12.632  -0.144
  115    H8     A  11           H8         A  11   6.924  12.048   2.226
  116   1H6     A  11          1H6         A  11   1.405   9.308   2.637
  117   2H6     A  11          2H6         A  11   2.679  10.155   3.503
  118    H2     A  11           H2         A  11   2.751   9.018  -1.606
  119   1H5*    G  12          1H5*        G  12   9.725   6.110  -0.676
  120   2H5*    G  12          2H5*        G  12   8.319   6.793  -1.535
  121    H4*    G  12           H4*        G  12   8.889   7.548   1.351
  122    H3*    G  12           H3*        G  12   7.395   5.116   0.313
  123    H2*    G  12           H2*        G  12   5.934   5.387   2.225
  124   2HO*    G  12          2HO*        G  12   7.849   6.093   3.535
  125    H1*    G  12           H1*        G  12   5.596   8.052   1.858
  126    H8     G  12           H8         G  12   5.955   6.708  -1.651
  127    H1     G  12           H1         G  12   0.131   5.831   0.922
  128   1H2     G  12          1H2         G  12   0.258   6.167   3.184
  129   2H2     G  12          2H2         G  12   1.770   6.638   3.943
  130   1H5*    A  13          1H5*        A  13   8.009   4.393   4.566
  131   2H5*    A  13          2H5*        A  13   8.178   2.654   4.869
  132    H4*    A  13           H4*        A  13   6.236   3.752   6.050
  133    H3*    A  13           H3*        A  13   5.618   1.517   4.125
  134    H2*    A  13           H2*        A  13   3.318   1.752   4.894
  135   2HO*    A  13          2HO*        A  13   3.784   2.146   7.083
  136    H1*    A  13           H1*        A  13   3.266   4.458   4.694
  137    H8     A  13           H8         A  13   5.361   3.383   1.732
  138   1H6     A  13          1H6         A  13  -0.056   2.327  -1.107
  139   2H6     A  13          2H6         A  13   1.690   2.428  -1.300
  140    H2     A  13           H2         A  13  -0.880   2.926   3.239
  141   1H5*    A  14          1H5*        A  14   3.928   0.845   8.242
  142   2H5*    A  14          2H5*        A  14   3.747  -0.883   8.590
  143    H4*    A  14           H4*        A  14   1.607   0.525   8.675
  144    H3*    A  14           H3*        A  14   1.798  -1.918   6.904
  145    H2*    A  14           H2*        A  14  -0.516  -1.539   6.309
  146   2HO*    A  14          2HO*        A  14  -0.888  -0.833   8.607
  147    H1*    A  14           H1*        A  14  -0.290   1.163   5.963
  148    H8     A  14           H8         A  14   2.911  -0.321   4.537
  149   1H6     A  14          1H6         A  14  -0.288  -1.005  -0.712
  150   2H6     A  14          2H6         A  14   1.284  -1.093   0.069
  151    H2     A  14           H2         A  14  -3.203  -0.012   2.555
  152   1H5*    C  15          1H5*        C  15  -1.931  -2.241   9.267
  153   2H5*    C  15          2H5*        C  15  -2.267  -3.943   9.625
  154    H4*    C  15           H4*        C  15  -4.055  -2.789   8.284
  155    H3*    C  15           H3*        C  15  -2.646  -5.141   6.987
  156    H2*    C  15           H2*        C  15  -4.320  -4.932   5.230
  157   2HO*    C  15          2HO*        C  15  -5.932  -4.336   6.931
  158    H1*    C  15           H1*        C  15  -4.098  -2.209   5.053
  159   1H4     C  15          1H4         C  15  -0.018  -4.088   0.574
  160   2H4     C  15          2H4         C  15   1.228  -4.396   1.767
  161    H5     C  15           H5         C  15   0.798  -4.264   4.214
  162    H6     C  15           H6         C  15  -0.857  -3.774   5.867
  163   1H5*    G  16          1H5*        G  16  -6.959  -5.973   6.839
  164   2H5*    G  16          2H5*        G  16  -7.215  -7.717   7.039
  165    H4*    G  16           H4*        G  16  -8.140  -6.796   4.888
  166    H3*    G  16           H3*        G  16  -5.940  -8.866   4.732
  167    H2*    G  16           H2*        G  16  -6.246  -8.842   2.355
  168   2HO*    G  16          2HO*        G  16  -7.961  -7.915   1.362
  169    H1*    G  16           H1*        G  16  -6.470  -6.123   2.145
  170    H8     G  16           H8         G  16  -3.663  -6.786   4.612
  171    H1     G  16           H1         G  16  -1.988  -7.513  -1.552
  172   1H2     G  16          1H2         G  16  -3.863  -7.939  -2.788
  173   2H2     G  16          2H2         G  16  -5.461  -7.838  -2.061
  174   1H5*    U  17          1H5*        U  17  -8.768 -10.233   1.975
  175   2H5*    U  17          2H5*        U  17  -8.977 -11.976   2.105
  176    H4*    U  17           H4*        U  17  -8.183 -11.348  -0.150
  177    H3*    U  17           H3*        U  17  -6.219 -12.889   1.568
  178    H2*    U  17           H2*        U  17  -4.765 -12.970  -0.332
  179   2HO*    U  17          2HO*        U  17  -6.562 -13.354  -1.800
  180    H1*    U  17           H1*        U  17  -5.205 -10.355  -1.101
  181    H3     U  17           H3         U  17  -0.860 -10.371   0.310
  182    H5     U  17           H5         U  17  -3.111 -10.403   3.860
  183    H6     U  17           H6         U  17  -5.105 -10.691   2.562
  184   1H5*    C  18          1H5*        C  18  -6.948 -15.044  -2.456
  185   2H5*    C  18          2H5*        C  18  -6.892 -16.777  -2.078
  186    H4*    C  18           H4*        C  18  -5.336 -16.163  -3.928
  187    H3*    C  18           H3*        C  18  -4.108 -17.180  -1.340
  188    H2*    C  18           H2*        C  18  -1.980 -17.104  -2.404
  189   2HO*    C  18          2HO*        C  18  -3.274 -17.899  -4.380
  190    H1*    C  18           H1*        C  18  -2.471 -14.749  -3.832
  191   1H4     C  18          1H4         C  18   1.047 -12.716   1.035
  192   2H4     C  18          2H4         C  18  -0.270 -12.877   2.177
  193    H5     C  18           H5         C  18  -2.440 -13.984   1.525
  194    H6     C  18           H6         C  18  -3.661 -14.925  -0.320
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  11.004 -13.377  -3.444
    2   2H5*    G   1          2H5*        G   1  10.905 -11.800  -4.250
    3    H4*    G   1           H4*        G   1   9.536 -13.468  -5.414
    4    H3*    G   1           H3*        G   1   7.948 -11.299  -4.023
    5    H2*    G   1           H2*        G   1   6.043 -12.218  -5.176
    6   2HO*    G   1          2HO*        G   1   7.340 -12.637  -7.125
    7    H1*    G   1           H1*        G   1   6.644 -14.815  -4.592
    8    H8     G   1           H8         G   1   7.615 -12.598  -1.665
    9    H1     G   1           H1         G   1   1.312 -13.839  -1.925
   10   1H2     G   1          1H2         G   1   0.801 -14.716  -3.967
   11   2H2     G   1          2H2         G   1   2.055 -15.028  -5.157
   12    H5T    G   1           HB         G   1  10.694 -11.511  -2.040
   13   1H5*    G   2          1H5*        G   2   6.910 -11.204  -8.309
   14   2H5*    G   2          2H5*        G   2   6.416  -9.564  -8.764
   15    H4*    G   2           H4*        G   2   4.665 -11.355  -9.106
   16    H3*    G   2           H3*        G   2   3.995  -9.044  -7.287
   17    H2*    G   2           H2*        G   2   1.748 -10.005  -7.215
   18   2HO*    G   2          2HO*        G   2   2.077 -10.679  -9.540
   19    H1*    G   2           H1*        G   2   2.600 -12.535  -6.745
   20    H8     G   2           H8         G   2   5.065 -10.387  -4.826
   21    H1     G   2           H1         G   2  -0.723 -10.819  -2.071
   22   1H2     G   2          1H2         G   2  -2.228 -11.508  -3.573
   23   2H2     G   2          2H2         G   2  -1.746 -12.003  -5.188
   24   1H5*    C   3          1H5*        C   3   0.673  -9.395 -10.019
   25   2H5*    C   3          2H5*        C   3   0.203  -7.775 -10.561
   26    H4*    C   3           H4*        C   3  -1.675  -9.012  -9.506
   27    H3*    C   3           H3*        C   3  -0.695  -6.526  -8.073
   28    H2*    C   3           H2*        C   3  -2.619  -6.789  -6.630
   29   2HO*    C   3          2HO*        C   3  -3.897  -7.546  -8.525
   30    H1*    C   3           H1*        C   3  -2.277  -9.494  -6.301
   31   1H4     C   3          1H4         C   3   0.637  -6.886  -1.303
   32   2H4     C   3          2H4         C   3   2.172  -6.898  -2.153
   33    H5     C   3           H5         C   3   2.336  -7.517  -4.597
   34    H6     C   3           H6         C   3   1.075  -8.169  -6.497
   35   1H5*    G   4          1H5*        G   4  -5.021  -6.122  -8.815
   36   2H5*    G   4          2H5*        G   4  -5.408  -4.422  -9.123
   37    H4*    G   4           H4*        G   4  -6.666  -5.440  -7.191
   38    H3*    G   4           H3*        G   4  -4.864  -3.079  -6.639
   39    H2*    G   4           H2*        G   4  -5.779  -3.131  -4.412
   40   2HO*    G   4          2HO*        G   4  -7.934  -3.716  -5.387
   41    H1*    G   4           H1*        G   4  -5.649  -5.832  -4.108
   42    H8     G   4           H8         G   4  -2.538  -4.648  -5.898
   43    H1     G   4           H1         G   4  -2.479  -3.586   0.449
   44   1H2     G   4          1H2         G   4  -4.632  -3.672   1.231
   45   2H2     G   4          2H2         G   4  -5.944  -4.141   0.164
   46   1H5*    U   5          1H5*        U   5  -8.944  -2.211  -5.150
   47   2H5*    U   5          2H5*        U   5  -9.297  -0.487  -5.346
   48    H4*    U   5           H4*        U   5  -9.465  -1.321  -2.973
   49    H3*    U   5           H3*        U   5  -7.435   0.838  -3.607
   50    H2*    U   5           H2*        U   5  -7.065   0.981  -1.218
   51   2HO*    U   5          2HO*        U   5  -9.404   0.624  -0.846
   52    H1*    U   5           H1*        U   5  -7.023  -1.743  -0.830
   53    H3     U   5           H3         U   5  -2.751  -0.372  -0.111
   54    H5     U   5           H5         U   5  -3.047  -1.027  -4.264
   55    H6     U   5           H6         U   5  -5.422  -1.151  -4.035
   56   1H5*    U   6          1H5*        U   6 -10.124   2.182  -0.295
   57   2H5*    U   6          2H5*        U   6 -10.335   3.938  -0.393
   58    H4*    U   6           H4*        U   6  -9.386   3.119   1.801
   59    H3*    U   6           H3*        U   6  -7.736   5.021   0.112
   60    H2*    U   6           H2*        U   6  -6.174   5.085   1.939
   61   2HO*    U   6          2HO*        U   6  -8.064   5.097   3.446
   62    H1*    U   6           H1*        U   6  -6.366   2.374   2.538
   63    H3     U   6           H3         U   6  -2.072   2.637   1.081
   64    H5     U   6           H5         U   6  -4.370   3.092  -2.421
   65    H6     U   6           H6         U   6  -6.349   3.240  -1.057
   66   1H5*    C   7          1H5*        C   7  -8.115   6.839   4.173
   67   2H5*    C   7          2H5*        C   7  -8.095   8.604   3.994
   68    H4*    C   7           H4*        C   7  -6.191   7.690   5.380
   69    H3*    C   7           H3*        C   7  -5.596   9.218   2.844
   70    H2*    C   7           H2*        C   7  -3.262   8.948   3.270
   71   2HO*    C   7          2HO*        C   7  -3.950   9.322   5.659
   72    H1*    C   7           H1*        C   7  -3.453   6.369   4.359
   73   1H4     C   7          1H4         C   7  -1.084   5.736  -1.513
   74   2H4     C   7          2H4         C   7  -2.527   6.401  -2.271
   75    H5     C   7           H5         C   7  -4.534   7.052  -0.933
   76    H6     C   7           H6         C   7  -5.345   7.396   1.295
   77   1H5*    G   8          1H5*        G   8  -2.852  11.186   5.196
   78   2H5*    G   8          2H5*        G   8  -3.229  12.921   5.153
   79    H4*    G   8           H4*        G   8  -0.941  12.528   4.364
   80    H3*    G   8           H3*        G   8  -2.951  13.480   2.308
   81    H2*    G   8           H2*        G   8  -1.263  13.510   0.664
   82   2HO*    G   8          2HO*        G   8   0.293  14.500   2.124
   83    H1*    G   8           H1*        G   8   0.058  11.229   1.491
   84    H8     G   8           H8         G   8  -3.734  10.686   1.534
   85    H1     G   8           H1         G   8  -0.758   9.261  -3.988
   86   1H2     G   8          1H2         G   8   1.372  10.206  -3.959
   87   2H2     G   8          2H2         G   8   1.884  11.137  -2.564
   88   1H5*    U   9          1H5*        U   9   0.218  18.263   2.679
   89   2H5*    U   9          2H5*        U   9   0.538  17.522   1.098
   90    H4*    U   9           H4*        U   9   2.644  18.190   2.065
   91    H3*    U   9           H3*        U   9   2.199  15.502   1.339
   92    H2*    U   9           H2*        U   9   1.984  14.653   3.469
   93   2HO*    U   9          2HO*        U   9   3.806  13.530   2.813
   94    H1*    U   9           H1*        U   9   4.137  16.537   4.392
   95    H3     U   9           H3         U   9   3.424  15.430   8.809
   96    H5     U   9           H5         U   9  -0.316  14.692   7.008
   97    H6     U   9           H6         U   9   0.626  15.448   4.889
   98   1H5*    U  10          1H5*        U  10   3.731  13.792   0.272
   99   2H5*    U  10          2H5*        U  10   5.269  14.258  -0.456
  100    H4*    U  10           H4*        U  10   4.332  12.441  -1.796
  101    H3*    U  10           H3*        U  10   5.043  14.829  -2.978
  102    H2*    U  10           H2*        U  10   2.841  15.738  -3.074
  103   2HO*    U  10          2HO*        U  10   3.543  14.313  -5.350
  104    H1*    U  10           H1*        U  10   1.831  12.988  -3.836
  105    H3     U  10           H3         U  10  -2.480  14.397  -3.996
  106    H5     U  10           H5         U  10  -0.874  16.663  -0.835
  107    H6     U  10           H6         U  10   1.252  15.566  -1.186
  108   1H5*    A  11          1H5*        A  11   6.491   9.691  -3.458
  109   2H5*    A  11          2H5*        A  11   5.341  10.895  -2.917
  110    H4*    A  11           H4*        A  11   8.095  11.745  -2.661
  111    H3*    A  11           H3*        A  11   7.053   9.332  -1.187
  112    H2*    A  11           H2*        A  11   7.999  10.122   0.860
  113   2HO*    A  11          2HO*        A  11   9.915  10.815  -0.534
  114    H1*    A  11           H1*        A  11   7.442  12.808   0.435
  115    H8     A  11           H8         A  11   6.456  12.441   2.754
  116   1H6     A  11          1H6         A  11   1.043   9.462   2.642
  117   2H6     A  11          2H6         A  11   2.176  10.390   3.617
  118    H2     A  11           H2         A  11   2.837   9.163  -1.431
  119   1H5*    G  12          1H5*        G  12  10.237   6.530   1.358
  120   2H5*    G  12          2H5*        G  12   9.136   5.978   0.091
  121    H4*    G  12           H4*        G  12   8.545   7.859   2.419
  122    H3*    G  12           H3*        G  12   7.353   5.196   1.540
  123    H2*    G  12           H2*        G  12   5.445   5.840   2.809
  124   2HO*    G  12          2HO*        G  12   6.910   6.730   4.494
  125    H1*    G  12           H1*        G  12   5.535   8.486   1.969
  126    H8     G  12           H8         G  12   5.986   6.891  -1.272
  127    H1     G  12           H1         G  12   0.070   5.886   1.041
  128   1H2     G  12          1H2         G  12   0.082   6.268   3.304
  129   2H2     G  12          2H2         G  12   1.546   6.794   4.120
  130   1H5*    A  13          1H5*        A  13   7.836   1.411   4.091
  131   2H5*    A  13          2H5*        A  13   6.471   1.580   2.987
  132    H4*    A  13           H4*        A  13   7.019   3.117   5.552
  133    H3*    A  13           H3*        A  13   5.052   1.091   4.564
  134    H2*    A  13           H2*        A  13   3.148   2.194   5.425
  135   2HO*    A  13          2HO*        A  13   4.705   2.786   7.326
  136    H1*    A  13           H1*        A  13   3.778   4.732   4.726
  137    H8     A  13           H8         A  13   5.378   3.450   1.779
  138   1H6     A  13          1H6         A  13  -0.188   2.450  -0.713
  139   2H6     A  13          2H6         A  13   1.547   2.528  -0.980
  140    H2     A  13           H2         A  13  -0.759   3.115   3.688
  141   1H5*    A  14          1H5*        A  14   3.560   1.298   8.365
  142   2H5*    A  14          2H5*        A  14   3.391  -0.327   9.057
  143    H4*    A  14           H4*        A  14   1.214   0.865   8.847
  144    H3*    A  14           H3*        A  14   1.605  -1.627   7.167
  145    H2*    A  14           H2*        A  14  -0.700  -1.393   6.492
  146   2HO*    A  14          2HO*        A  14  -1.186  -0.652   8.759
  147    H1*    A  14           H1*        A  14  -0.579   1.318   6.086
  148    H8     A  14           H8         A  14   2.708  -0.147   4.831
  149   1H6     A  14          1H6         A  14  -0.292  -0.901  -0.547
  150   2H6     A  14          2H6         A  14   1.259  -0.944   0.277
  151    H2     A  14           H2         A  14  -3.327   0.042   2.613
  152   1H5*    C  15          1H5*        C  15  -2.147  -2.216   9.371
  153   2H5*    C  15          2H5*        C  15  -2.301  -3.935   9.776
  154    H4*    C  15           H4*        C  15  -4.176  -3.103   8.363
  155    H3*    C  15           H3*        C  15  -2.385  -5.168   7.063
  156    H2*    C  15           H2*        C  15  -4.085  -5.208   5.317
  157   2HO*    C  15          2HO*        C  15  -5.781  -4.930   6.987
  158    H1*    C  15           H1*        C  15  -4.286  -2.475   5.192
  159   1H4     C  15          1H4         C  15  -0.027  -3.948   0.683
  160   2H4     C  15          2H4         C  15   1.245  -4.151   1.871
  161    H5     C  15           H5         C  15   0.821  -3.999   4.320
  162    H6     C  15           H6         C  15  -0.865  -3.636   5.981
  163   1H5*    G  16          1H5*        G  16  -6.546  -6.690   7.073
  164   2H5*    G  16          2H5*        G  16  -6.499  -8.455   7.244
  165    H4*    G  16           H4*        G  16  -7.719  -7.687   5.202
  166    H3*    G  16           H3*        G  16  -5.203  -9.337   4.807
  167    H2*    G  16           H2*        G  16  -5.730  -9.318   2.460
  168   2HO*    G  16          2HO*        G  16  -8.102  -9.451   3.172
  169    H1*    G  16           H1*        G  16  -6.458  -6.706   2.338
  170    H8     G  16           H8         G  16  -3.378  -6.980   4.591
  171    H1     G  16           H1         G  16  -2.024  -7.260  -1.692
  172   1H2     G  16          1H2         G  16  -3.924  -7.800  -2.837
  173   2H2     G  16          2H2         G  16  -5.482  -7.859  -2.022
  174   1H5*    U  17          1H5*        U  17  -8.003 -11.189   2.205
  175   2H5*    U  17          2H5*        U  17  -7.817 -12.935   2.264
  176    H4*    U  17           H4*        U  17  -7.413 -12.036  -0.007
  177    H3*    U  17           H3*        U  17  -4.952 -13.231   1.321
  178    H2*    U  17           H2*        U  17  -3.782 -12.801  -0.722
  179   2HO*    U  17          2HO*        U  17  -5.752 -13.441  -1.939
  180    H1*    U  17           H1*        U  17  -4.800 -10.302  -1.101
  181    H3     U  17           H3         U  17  -0.331  -9.961  -0.074
  182    H5     U  17           H5         U  17  -2.246 -10.480   3.635
  183    H6     U  17           H6         U  17  -4.294 -10.907   2.488
  184   1H5*    C  18          1H5*        C  18  -7.296 -16.284  -1.589
  185   2H5*    C  18          2H5*        C  18  -7.005 -18.003  -1.289
  186    H4*    C  18           H4*        C  18  -5.696 -17.219  -3.212
  187    H3*    C  18           H3*        C  18  -4.050 -17.933  -0.756
  188    H2*    C  18           H2*        C  18  -2.109 -17.612  -2.096
  189   2HO*    C  18          2HO*        C  18  -3.505 -18.696  -3.852
  190    H1*    C  18           H1*        C  18  -3.160 -15.441  -3.543
  191   1H4     C  18          1H4         C  18   0.875 -12.841   0.636
  192   2H4     C  18          2H4         C  18  -0.228 -13.082   1.977
  193    H5     C  18           H5         C  18  -2.363 -14.379   1.702
  194    H6     C  18           H6         C  18  -3.755 -15.524   0.111
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  11.199 -12.356  -2.905
    2   2H5*    G   1          2H5*        G   1  10.998 -10.903  -3.898
    3    H4*    G   1           H4*        G   1   9.820 -12.726  -4.961
    4    H3*    G   1           H3*        G   1   7.898 -10.796  -3.652
    5    H2*    G   1           H2*        G   1   6.192 -12.028  -4.778
    6   2HO*    G   1          2HO*        G   1   7.622 -12.304  -6.701
    7    H1*    G   1           H1*        G   1   7.186 -14.482  -4.107
    8    H8     G   1           H8         G   1   7.795 -12.107  -1.250
    9    H1     G   1           H1         G   1   1.614 -13.776  -1.757
   10   1H2     G   1          1H2         G   1   1.261 -14.706  -3.814
   11   2H2     G   1          2H2         G   1   2.599 -14.996  -4.914
   12    H5T    G   1           HB         G   1   9.475 -10.146  -2.451
   13   1H5*    G   2          1H5*        G   2   6.926 -11.068  -7.833
   14   2H5*    G   2          2H5*        G   2   6.284  -9.534  -8.437
   15    H4*    G   2           H4*        G   2   4.750 -11.539  -8.688
   16    H3*    G   2           H3*        G   2   3.813  -9.118  -7.140
   17    H2*    G   2           H2*        G   2   1.652 -10.220  -7.020
   18   2HO*    G   2          2HO*        G   2   2.107 -11.066  -9.273
   19    H1*    G   2           H1*        G   2   2.655 -12.659  -6.347
   20    H8     G   2           H8         G   2   4.897 -10.405  -4.382
   21    H1     G   2           H1         G   2  -1.049 -10.912  -1.954
   22   1H2     G   2          1H2         G   2  -2.436 -11.719  -3.514
   23   2H2     G   2          2H2         G   2  -1.845 -12.215  -5.092
   24   1H5*    C   3          1H5*        C   3   0.653  -9.854  -9.939
   25   2H5*    C   3          2H5*        C   3   0.111  -8.309 -10.622
   26    H4*    C   3           H4*        C   3  -1.723  -9.524  -9.480
   27    H3*    C   3           H3*        C   3  -0.844  -6.917  -8.199
   28    H2*    C   3           H2*        C   3  -2.755  -7.172  -6.740
   29   2HO*    C   3          2HO*        C   3  -3.978  -8.097  -8.617
   30    H1*    C   3           H1*        C   3  -2.317  -9.843  -6.269
   31   1H4     C   3          1H4         C   3   0.484  -6.992  -1.357
   32   2H4     C   3          2H4         C   3   1.994  -6.857  -2.238
   33    H5     C   3           H5         C   3   2.171  -7.475  -4.670
   34    H6     C   3           H6         C   3   0.948  -8.260  -6.553
   35   1H5*    G   4          1H5*        G   4  -5.164  -6.632  -8.818
   36   2H5*    G   4          2H5*        G   4  -5.577  -4.953  -9.201
   37    H4*    G   4           H4*        G   4  -6.741  -5.830  -7.162
   38    H3*    G   4           H3*        G   4  -4.845  -3.511  -6.759
   39    H2*    G   4           H2*        G   4  -5.727  -3.460  -4.513
   40   2HO*    G   4          2HO*        G   4  -7.915  -4.005  -5.373
   41    H1*    G   4           H1*        G   4  -5.624  -6.147  -4.126
   42    H8     G   4           H8         G   4  -2.545  -5.053  -6.039
   43    H1     G   4           H1         G   4  -2.340  -3.748   0.260
   44   1H2     G   4          1H2         G   4  -4.478  -3.760   1.086
   45   2H2     G   4          2H2         G   4  -5.808  -4.289   0.071
   46   1H5*    U   5          1H5*        U   5  -8.903  -2.525  -5.253
   47   2H5*    U   5          2H5*        U   5  -9.223  -0.798  -5.472
   48    H4*    U   5           H4*        U   5  -9.429  -1.613  -3.094
   49    H3*    U   5           H3*        U   5  -7.375   0.526  -3.723
   50    H2*    U   5           H2*        U   5  -7.064   0.700  -1.326
   51   2HO*    U   5          2HO*        U   5  -9.445   0.296  -1.066
   52    H1*    U   5           H1*        U   5  -7.015  -2.014  -0.908
   53    H3     U   5           H3         U   5  -2.764  -0.513  -0.166
   54    H5     U   5           H5         U   5  -2.998  -1.352  -4.293
   55    H6     U   5           H6         U   5  -5.369  -1.516  -4.090
   56   1H5*    U   6          1H5*        U   6 -10.000   1.941  -0.484
   57   2H5*    U   6          2H5*        U   6 -10.204   3.697  -0.582
   58    H4*    U   6           H4*        U   6  -9.215   2.853   1.592
   59    H3*    U   6           H3*        U   6  -7.612   4.788  -0.101
   60    H2*    U   6           H2*        U   6  -6.036   4.855   1.724
   61   2HO*    U   6          2HO*        U   6  -7.866   4.833   3.267
   62    H1*    U   6           H1*        U   6  -6.165   2.135   2.261
   63    H3     U   6           H3         U   6  -1.904   2.660   0.775
   64    H5     U   6           H5         U   6  -4.249   2.807  -2.718
   65    H6     U   6           H6         U   6  -6.224   2.886  -1.342
   66   1H5*    C   7          1H5*        C   7  -8.092   6.532   3.995
   67   2H5*    C   7          2H5*        C   7  -8.102   8.302   3.875
   68    H4*    C   7           H4*        C   7  -6.213   7.353   5.277
   69    H3*    C   7           H3*        C   7  -5.585   9.024   2.840
   70    H2*    C   7           H2*        C   7  -3.252   8.778   3.333
   71   2HO*    C   7          2HO*        C   7  -4.018   8.998   5.711
   72    H1*    C   7           H1*        C   7  -3.422   6.137   4.247
   73   1H4     C   7          1H4         C   7  -0.924   5.834  -1.591
   74   2H4     C   7          2H4         C   7  -2.401   6.413  -2.357
   75    H5     C   7           H5         C   7  -4.446   6.948  -1.031
   76    H6     C   7           H6         C   7  -5.298   7.205   1.196
   77   1H5*    G   8          1H5*        G   8  -2.806  10.770   5.362
   78   2H5*    G   8          2H5*        G   8  -3.167  12.505   5.444
   79    H4*    G   8           H4*        G   8  -0.865  12.142   4.668
   80    H3*    G   8           H3*        G   8  -2.857  13.327   2.728
   81    H2*    G   8           H2*        G   8  -1.225  13.448   1.045
   82   2HO*    G   8          2HO*        G   8   0.355  14.332   2.555
   83    H1*    G   8           H1*        G   8   0.142  11.113   1.674
   84    H8     G   8           H8         G   8  -3.660  10.579   1.691
   85    H1     G   8           H1         G   8  -0.702   9.373  -3.885
   86   1H2     G   8          1H2         G   8   1.417  10.323  -3.840
   87   2H2     G   8          2H2         G   8   1.940  11.207  -2.420
   88   1H5*    U   9          1H5*        U   9   0.248  18.060   3.422
   89   2H5*    U   9          2H5*        U   9   0.455  17.476   1.759
   90    H4*    U   9           H4*        U   9   2.617  18.122   2.604
   91    H3*    U   9           H3*        U   9   2.175  15.499   1.673
   92    H2*    U   9           H2*        U   9   2.213  14.414   3.717
   93   2HO*    U   9          2HO*        U   9   4.760  14.749   2.688
   94    H1*    U   9           H1*        U   9   4.348  16.317   4.658
   95    H3     U   9           H3         U   9   4.041  14.766   8.974
   96    H5     U   9           H5         U   9   0.178  14.088   7.427
   97    H6     U   9           H6         U   9   0.917  15.059   5.318
   98   1H5*    U  10          1H5*        U  10   3.821  13.864   0.456
   99   2H5*    U  10          2H5*        U  10   5.251  14.449  -0.405
  100    H4*    U  10           H4*        U  10   4.293  12.625  -1.707
  101    H3*    U  10           H3*        U  10   4.808  15.059  -2.829
  102    H2*    U  10           H2*        U  10   2.552  15.896  -2.695
  103   2HO*    U  10          2HO*        U  10   3.113  14.620  -5.098
  104    H1*    U  10           H1*        U  10   1.611  13.141  -3.526
  105    H3     U  10           H3         U  10  -2.802  14.077  -3.086
  106    H5     U  10           H5         U  10  -1.039  16.464  -0.105
  107    H6     U  10           H6         U  10   1.125  15.620  -0.768
  108   1H5*    A  11          1H5*        A  11   6.375  10.037  -3.695
  109   2H5*    A  11          2H5*        A  11   5.240  11.173  -2.997
  110    H4*    A  11           H4*        A  11   7.968  12.136  -3.006
  111    H3*    A  11           H3*        A  11   7.210   9.690  -1.402
  112    H2*    A  11           H2*        A  11   8.524  10.536   0.420
  113   2HO*    A  11          2HO*        A  11  10.225  11.428  -0.997
  114    H1*    A  11           H1*        A  11   7.572  13.057   0.237
  115    H8     A  11           H8         A  11   6.960  12.436   2.571
  116   1H6     A  11          1H6         A  11   1.471   9.616   2.820
  117   2H6     A  11          2H6         A  11   2.717  10.469   3.726
  118    H2     A  11           H2         A  11   2.925   9.399  -1.391
  119   1H5*    G  12          1H5*        G  12   9.788   6.526  -0.280
  120   2H5*    G  12          2H5*        G  12   8.422   7.238  -1.177
  121    H4*    G  12           H4*        G  12   8.888   7.953   1.736
  122    H3*    G  12           H3*        G  12   7.448   5.520   0.631
  123    H2*    G  12           H2*        G  12   5.930   5.764   2.505
  124   2HO*    G  12          2HO*        G  12   7.808   6.492   3.866
  125    H1*    G  12           H1*        G  12   5.570   8.423   2.136
  126    H8     G  12           H8         G  12   6.076   7.125  -1.368
  127    H1     G  12           H1         G  12   0.199   6.026   0.990
  128   1H2     G  12          1H2         G  12   0.227   6.372   3.253
  129   2H2     G  12          2H2         G  12   1.691   6.900   4.069
  130   1H5*    A  13          1H5*        A  13   7.904   4.804   4.883
  131   2H5*    A  13          2H5*        A  13   8.101   3.070   5.195
  132    H4*    A  13           H4*        A  13   6.099   4.115   6.313
  133    H3*    A  13           H3*        A  13   5.581   1.885   4.351
  134    H2*    A  13           H2*        A  13   3.262   2.058   5.095
  135   2HO*    A  13          2HO*        A  13   3.901   2.514   7.314
  136    H1*    A  13           H1*        A  13   3.150   4.761   4.883
  137    H8     A  13           H8         A  13   5.355   3.778   1.978
  138   1H6     A  13          1H6         A  13   0.066   2.476  -1.004
  139   2H6     A  13          2H6         A  13   1.811   2.658  -1.151
  140    H2     A  13           H2         A  13  -0.903   3.065   3.311
  141   1H5*    A  14          1H5*        A  14   3.794   1.121   8.369
  142   2H5*    A  14          2H5*        A  14   3.672  -0.615   8.701
  143    H4*    A  14           H4*        A  14   1.479   0.689   8.739
  144    H3*    A  14           H3*        A  14   1.821  -1.689   6.901
  145    H2*    A  14           H2*        A  14  -0.508  -1.403   6.300
  146   2HO*    A  14          2HO*        A  14  -0.942  -0.778   8.604
  147    H1*    A  14           H1*        A  14  -0.381   1.313   6.015
  148    H8     A  14           H8         A  14   2.898   0.015   4.609
  149   1H6     A  14          1H6         A  14  -0.238  -0.896  -0.659
  150   2H6     A  14          2H6         A  14   1.336  -0.896   0.126
  151    H2     A  14           H2         A  14  -3.208   0.010   2.574
  152   1H5*    C  15          1H5*        C  15  -1.872  -2.243   9.236
  153   2H5*    C  15          2H5*        C  15  -2.148  -3.964   9.550
  154    H4*    C  15           H4*        C  15  -3.983  -2.839   8.245
  155    H3*    C  15           H3*        C  15  -2.502  -5.107   6.890
  156    H2*    C  15           H2*        C  15  -4.219  -4.930   5.167
  157   2HO*    C  15          2HO*        C  15  -5.813  -4.404   6.913
  158    H1*    C  15           H1*        C  15  -4.076  -2.200   5.027
  159   1H4     C  15          1H4         C  15  -0.019  -4.061   0.481
  160   2H4     C  15          2H4         C  15   1.249  -4.304   1.662
  161    H5     C  15           H5         C  15   0.867  -4.105   4.107
  162    H6     C  15           H6         C  15  -0.767  -3.626   5.783
  163   1H5*    G  16          1H5*        G  16  -6.771  -6.045   6.840
  164   2H5*    G  16          2H5*        G  16  -6.998  -7.791   7.049
  165    H4*    G  16           H4*        G  16  -8.025  -6.881   4.945
  166    H3*    G  16           H3*        G  16  -5.838  -8.959   4.709
  167    H2*    G  16           H2*        G  16  -6.261  -8.941   2.331
  168   2HO*    G  16          2HO*        G  16  -8.644  -8.614   2.962
  169    H1*    G  16           H1*        G  16  -6.507  -6.236   2.104
  170    H8     G  16           H8         G  16  -3.592  -6.755   4.473
  171    H1     G  16           H1         G  16  -2.109  -7.663  -1.717
  172   1H2     G  16          1H2         G  16  -4.017  -8.195  -2.868
  173   2H2     G  16          2H2         G  16  -5.587  -8.128  -2.077
  174   1H5*    U  17          1H5*        U  17  -8.670 -10.413   1.993
  175   2H5*    U  17          2H5*        U  17  -8.877 -12.146   2.259
  176    H4*    U  17           H4*        U  17  -8.072 -11.715  -0.031
  177    H3*    U  17           H3*        U  17  -6.096 -13.044   1.842
  178    H2*    U  17           H2*        U  17  -4.602 -13.254   0.017
  179   2HO*    U  17          2HO*        U  17  -6.146 -13.950  -1.508
  180    H1*    U  17           H1*        U  17  -5.177 -10.766  -1.093
  181    H3     U  17           H3         U  17  -0.799 -10.424   0.199
  182    H5     U  17           H5         U  17  -2.962 -10.279   3.801
  183    H6     U  17           H6         U  17  -4.974 -10.749   2.587
  184   1H5*    C  18          1H5*        C  18  -7.045 -15.613  -1.987
  185   2H5*    C  18          2H5*        C  18  -6.925 -17.299  -1.438
  186    H4*    C  18           H4*        C  18  -5.529 -16.869  -3.465
  187    H3*    C  18           H3*        C  18  -4.104 -17.602  -0.883
  188    H2*    C  18           H2*        C  18  -2.043 -17.565  -2.059
  189   2HO*    C  18          2HO*        C  18  -3.415 -18.601  -3.868
  190    H1*    C  18           H1*        C  18  -2.687 -15.397  -3.708
  191   1H4     C  18          1H4         C  18   1.029 -12.756   0.719
  192   2H4     C  18          2H4         C  18  -0.182 -12.923   1.974
  193    H5     C  18           H5         C  18  -2.317 -14.194   1.569
  194    H6     C  18           H6         C  18  -3.605 -15.346  -0.096
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  11.050 -10.197  -3.321
    2   2H5*    G   1          2H5*        G   1  10.212 -10.951  -1.949
    3    H4*    G   1           H4*        G   1  10.226 -12.073  -4.793
    4    H3*    G   1           H3*        G   1   8.212 -10.354  -3.346
    5    H2*    G   1           H2*        G   1   6.552 -11.479  -4.671
    6   2HO*    G   1          2HO*        G   1   8.100 -11.530  -6.541
    7    H1*    G   1           H1*        G   1   7.541 -13.976  -4.223
    8    H8     G   1           H8         G   1   8.079 -11.889  -1.133
    9    H1     G   1           H1         G   1   1.909 -13.460  -1.957
   10   1H2     G   1          1H2         G   1   1.613 -14.191  -4.103
   11   2H2     G   1          2H2         G   1   2.985 -14.401  -5.182
   12    H5T    G   1           HB         G   1  12.412 -11.562  -2.062
   13   1H5*    G   2          1H5*        G   2   7.363 -10.247  -7.596
   14   2H5*    G   2          2H5*        G   2   6.715  -8.671  -8.073
   15    H4*    G   2           H4*        G   2   5.236 -10.677  -8.572
   16    H3*    G   2           H3*        G   2   4.201  -8.395  -6.884
   17    H2*    G   2           H2*        G   2   2.052  -9.521  -6.925
   18   2HO*    G   2          2HO*        G   2   2.611 -10.187  -9.221
   19    H1*    G   2           H1*        G   2   3.052 -12.003  -6.420
   20    H8     G   2           H8         G   2   5.206  -9.983  -4.154
   21    H1     G   2           H1         G   2  -0.882 -10.508  -2.108
   22   1H2     G   2          1H2         G   2  -2.198 -11.146  -3.806
   23   2H2     G   2          2H2         G   2  -1.526 -11.530  -5.384
   24   1H5*    C   3          1H5*        C   3   1.126  -8.944  -9.796
   25   2H5*    C   3          2H5*        C   3   0.614  -7.356 -10.398
   26    H4*    C   3           H4*        C   3  -1.260  -8.616  -9.382
   27    H3*    C   3           H3*        C   3  -0.390  -6.105  -7.916
   28    H2*    C   3           H2*        C   3  -2.352  -6.427  -6.537
   29   2HO*    C   3          2HO*        C   3  -3.541  -7.214  -8.483
   30    H1*    C   3           H1*        C   3  -1.949  -9.122  -6.218
   31   1H4     C   3          1H4         C   3   0.734  -6.699  -1.039
   32   2H4     C   3          2H4         C   3   2.279  -6.539  -1.856
   33    H5     C   3           H5         C   3   2.526  -6.980  -4.321
   34    H6     C   3           H6         C   3   1.348  -7.599  -6.298
   35   1H5*    G   4          1H5*        G   4  -4.697  -5.787  -8.738
   36   2H5*    G   4          2H5*        G   4  -5.110  -4.088  -9.027
   37    H4*    G   4           H4*        G   4  -6.380  -5.143  -7.129
   38    H3*    G   4           H3*        G   4  -4.602  -2.788  -6.492
   39    H2*    G   4           H2*        G   4  -5.567  -2.902  -4.286
   40   2HO*    G   4          2HO*        G   4  -7.703  -3.447  -5.268
   41    H1*    G   4           H1*        G   4  -5.428  -5.612  -4.051
   42    H8     G   4           H8         G   4  -2.286  -4.362  -5.739
   43    H1     G   4           H1         G   4  -2.334  -3.532   0.642
   44   1H2     G   4          1H2         G   4  -4.499  -3.572   1.379
   45   2H2     G   4          2H2         G   4  -5.801  -3.977   0.275
   46   1H5*    U   5          1H5*        U   5  -8.806  -2.056  -5.166
   47   2H5*    U   5          2H5*        U   5  -9.184  -0.330  -5.286
   48    H4*    U   5           H4*        U   5  -9.465  -1.313  -2.975
   49    H3*    U   5           H3*        U   5  -7.480   0.942  -3.375
   50    H2*    U   5           H2*        U   5  -7.244   0.962  -0.967
   51   2HO*    U   5          2HO*        U   5  -9.616   0.475  -0.808
   52    H1*    U   5           H1*        U   5  -7.132  -1.774  -0.719
   53    H3     U   5           H3         U   5  -2.933  -0.373   0.309
   54    H5     U   5           H5         U   5  -3.006  -0.719  -3.889
   55    H6     U   5           H6         U   5  -5.389  -0.919  -3.795
   56   1H5*    U   6          1H5*        U   6 -10.230   2.092  -0.119
   57   2H5*    U   6          2H5*        U   6 -10.478   3.846  -0.159
   58    H4*    U   6           H4*        U   6  -9.512   2.996   2.004
   59    H3*    U   6           H3*        U   6  -7.856   4.933   0.360
   60    H2*    U   6           H2*        U   6  -6.314   4.967   2.211
   61   2HO*    U   6          2HO*        U   6  -8.244   4.908   3.686
   62    H1*    U   6           H1*        U   6  -6.476   2.243   2.718
   63    H3     U   6           H3         U   6  -2.198   2.640   1.252
   64    H5     U   6           H5         U   6  -4.515   3.096  -2.234
   65    H6     U   6           H6         U   6  -6.492   3.170  -0.861
   66   1H5*    C   7          1H5*        C   7  -8.280   6.691   4.418
   67   2H5*    C   7          2H5*        C   7  -8.277   8.460   4.280
   68    H4*    C   7           H4*        C   7  -6.377   7.528   5.659
   69    H3*    C   7           H3*        C   7  -5.737   9.107   3.163
   70    H2*    C   7           H2*        C   7  -3.409   8.841   3.676
   71   2HO*    C   7          2HO*        C   7  -4.158   9.135   6.044
   72    H1*    C   7           H1*        C   7  -3.613   6.225   4.617
   73   1H4     C   7          1H4         C   7  -1.259   5.727  -1.265
   74   2H4     C   7          2H4         C   7  -2.763   6.245  -2.019
   75    H5     C   7           H5         C   7  -4.749   6.921  -0.649
   76    H6     C   7           H6         C   7  -5.543   7.241   1.587
   77   1H5*    G   8          1H5*        G   8  -2.914  10.877   5.473
   78   2H5*    G   8          2H5*        G   8  -3.089  12.639   5.350
   79    H4*    G   8           H4*        G   8  -0.882  11.903   4.480
   80    H3*    G   8           H3*        G   8  -2.835  13.024   2.460
   81    H2*    G   8           H2*        G   8  -1.116  12.863   0.823
   82   2HO*    G   8          2HO*        G   8   1.011  12.347   1.356
   83    H1*    G   8           H1*        G   8  -0.211  10.385   1.645
   84    H8     G   8           H8         G   8  -4.043  10.543   1.752
   85    H1     G   8           H1         G   8  -1.534   8.998  -3.964
   86   1H2     G   8          1H2         G   8   0.740   9.421  -3.928
   87   2H2     G   8          2H2         G   8   1.473  10.116  -2.497
   88   1H5*    U   9          1H5*        U   9   0.560  17.680   2.620
   89   2H5*    U   9          2H5*        U   9   0.574  16.896   1.024
   90    H4*    U   9           H4*        U   9   2.849  17.464   1.606
   91    H3*    U   9           H3*        U   9   2.128  14.820   0.970
   92    H2*    U   9           H2*        U   9   2.193  13.968   3.102
   93   2HO*    U   9          2HO*        U   9   4.692  13.877   1.903
   94    H1*    U   9           H1*        U   9   4.604  15.668   3.674
   95    H3     U   9           H3         U   9   4.541  14.727   8.176
   96    H5     U   9           H5         U   9   0.564  14.002   6.985
   97    H6     U   9           H6         U   9   1.171  14.679   4.730
   98   1H5*    U  10          1H5*        U  10   3.890  12.977  -0.284
   99   2H5*    U  10          2H5*        U  10   5.237  13.508  -1.303
  100    H4*    U  10           H4*        U  10   4.148  11.584  -2.360
  101    H3*    U  10           H3*        U  10   4.706  13.884  -3.700
  102    H2*    U  10           H2*        U  10   2.474  14.815  -3.525
  103   2HO*    U  10          2HO*        U  10   2.877  13.331  -5.849
  104    H1*    U  10           H1*        U  10   1.459  12.010  -4.091
  105    H3     U  10           H3         U  10  -2.920  13.129  -3.766
  106    H5     U  10           H5         U  10  -1.100  15.631  -0.913
  107    H6     U  10           H6         U  10   1.043  14.690  -1.510
  108   1H5*    A  11          1H5*        A  11   6.003   8.729  -4.200
  109   2H5*    A  11          2H5*        A  11   4.961   9.976  -3.542
  110    H4*    A  11           H4*        A  11   7.728  10.776  -3.803
  111    H3*    A  11           H3*        A  11   6.925   8.599  -1.859
  112    H2*    A  11           H2*        A  11   8.466   9.567  -0.279
  113   2HO*    A  11          2HO*        A  11  10.067  10.163  -1.940
  114    H1*    A  11           H1*        A  11   7.593  12.091  -0.677
  115    H8     A  11           H8         A  11   7.190  11.681   1.748
  116   1H6     A  11          1H6         A  11   1.509   9.447   2.661
  117   2H6     A  11          2H6         A  11   2.884  10.281   3.374
  118    H2     A  11           H2         A  11   2.626   8.645  -1.589
  119   1H5*    G  12          1H5*        G  12   9.451   5.442  -0.469
  120   2H5*    G  12          2H5*        G  12   8.041   6.099  -1.337
  121    H4*    G  12           H4*        G  12   8.821   7.170   1.397
  122    H3*    G  12           H3*        G  12   7.166   4.710   0.753
  123    H2*    G  12           H2*        G  12   5.773   5.294   2.645
  124   2HO*    G  12          2HO*        G  12   7.789   6.089   3.774
  125    H1*    G  12           H1*        G  12   5.529   7.896   1.954
  126    H8     G  12           H8         G  12   5.789   6.165  -1.385
  127    H1     G  12           H1         G  12  -0.050   5.878   1.272
  128   1H2     G  12          1H2         G  12   0.105   6.395   3.490
  129   2H2     G  12          2H2         G  12   1.644   6.843   4.211
  130   1H5*    A  13          1H5*        A  13   7.752   4.501   5.042
  131   2H5*    A  13          2H5*        A  13   7.927   2.805   5.528
  132    H4*    A  13           H4*        A  13   5.989   3.968   6.608
  133    H3*    A  13           H3*        A  13   5.344   1.619   4.831
  134    H2*    A  13           H2*        A  13   3.053   1.914   5.605
  135   2HO*    A  13          2HO*        A  13   3.819   2.500   7.777
  136    H1*    A  13           H1*        A  13   3.016   4.606   5.233
  137    H8     A  13           H8         A  13   5.118   3.261   2.368
  138   1H6     A  13          1H6         A  13  -0.287   2.303  -0.504
  139   2H6     A  13          2H6         A  13   1.464   2.301  -0.656
  140    H2     A  13           H2         A  13  -1.158   3.179   3.796
  141   1H5*    A  14          1H5*        A  14   3.551   1.083   8.883
  142   2H5*    A  14          2H5*        A  14   3.461  -0.641   9.282
  143    H4*    A  14           H4*        A  14   1.239   0.575   9.276
  144    H3*    A  14           H3*        A  14   1.650  -1.778   7.416
  145    H2*    A  14           H2*        A  14  -0.673  -1.537   6.798
  146   2HO*    A  14          2HO*        A  14  -1.152  -0.968   9.104
  147    H1*    A  14           H1*        A  14  -0.613   1.190   6.564
  148    H8     A  14           H8         A  14   2.681  -0.146   5.165
  149   1H6     A  14          1H6         A  14  -0.406  -0.896  -0.147
  150   2H6     A  14          2H6         A  14   1.148  -0.971   0.667
  151    H2     A  14           H2         A  14  -3.399   0.055   3.062
  152   1H5*    C  15          1H5*        C  15  -2.077  -2.498   9.686
  153   2H5*    C  15          2H5*        C  15  -2.307  -4.238   9.923
  154    H4*    C  15           H4*        C  15  -4.141  -3.101   8.619
  155    H3*    C  15           H3*        C  15  -2.590  -5.287   7.208
  156    H2*    C  15           H2*        C  15  -4.268  -5.058   5.455
  157   2HO*    C  15          2HO*        C  15  -5.919  -4.632   7.170
  158    H1*    C  15           H1*        C  15  -4.167  -2.326   5.429
  159   1H4     C  15          1H4         C  15   0.012  -3.979   0.914
  160   2H4     C  15          2H4         C  15   1.250  -4.285   2.114
  161    H5     C  15           H5         C  15   0.807  -4.184   4.554
  162    H6     C  15           H6         C  15  -0.867  -3.766   6.207
  163   1H5*    G  16          1H5*        G  16  -6.853  -6.261   6.969
  164   2H5*    G  16          2H5*        G  16  -7.068  -8.019   6.992
  165    H4*    G  16           H4*        G  16  -8.004  -6.875   4.950
  166    H3*    G  16           H3*        G  16  -5.846  -8.964   4.594
  167    H2*    G  16           H2*        G  16  -6.182  -8.705   2.214
  168   2HO*    G  16          2HO*        G  16  -8.581  -8.374   2.778
  169    H1*    G  16           H1*        G  16  -6.343  -5.985   2.248
  170    H8     G  16           H8         G  16  -3.549  -6.818   4.669
  171    H1     G  16           H1         G  16  -1.849  -7.243  -1.520
  172   1H2     G  16          1H2         G  16  -3.726  -7.611  -2.780
  173   2H2     G  16          2H2         G  16  -5.324  -7.535  -2.046
  174   1H5*    U  17          1H5*        U  17  -8.626 -10.058   1.643
  175   2H5*    U  17          2H5*        U  17  -8.869 -11.804   1.705
  176    H4*    U  17           H4*        U  17  -7.998 -11.126  -0.499
  177    H3*    U  17           H3*        U  17  -6.069 -12.696   1.235
  178    H2*    U  17           H2*        U  17  -4.589 -12.743  -0.634
  179   2HO*    U  17          2HO*        U  17  -6.206 -13.157  -2.207
  180    H1*    U  17           H1*        U  17  -5.037 -10.115  -1.369
  181    H3     U  17           H3         U  17  -0.693 -10.216   0.082
  182    H5     U  17           H5         U  17  -2.984 -10.344   3.606
  183    H6     U  17           H6         U  17  -4.969 -10.545   2.281
  184   1H5*    C  18          1H5*        C  18  -6.872 -14.813  -2.813
  185   2H5*    C  18          2H5*        C  18  -6.760 -16.553  -2.478
  186    H4*    C  18           H4*        C  18  -5.268 -15.841  -4.361
  187    H3*    C  18           H3*        C  18  -3.909 -16.859  -1.843
  188    H2*    C  18           H2*        C  18  -1.854 -16.777  -3.042
  189   2HO*    C  18          2HO*        C  18  -1.753 -16.413  -5.251
  190    H1*    C  18           H1*        C  18  -2.438 -14.330  -4.252
  191   1H4     C  18          1H4         C  18   1.252 -12.609   0.569
  192   2H4     C  18          2H4         C  18  -0.060 -12.712   1.724
  193    H5     C  18           H5         C  18  -2.268 -13.764   1.096
  194    H6     C  18           H6         C  18  -3.544 -14.647  -0.741
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  10.679  -9.296  -3.979
    2   2H5*    G   1          2H5*        G   1   9.984  -9.884  -2.451
    3    H4*    G   1           H4*        G   1   9.918 -11.421  -5.094
    4    H3*    G   1           H3*        G   1   7.832  -9.703  -3.756
    5    H2*    G   1           H2*        G   1   6.226 -11.189  -4.766
    6   2HO*    G   1          2HO*        G   1   7.669 -11.368  -6.718
    7    H1*    G   1           H1*        G   1   7.524 -13.473  -4.043
    8    H8     G   1           H8         G   1   7.987 -10.902  -1.324
    9    H1     G   1           H1         G   1   2.031 -13.300  -1.447
   10   1H2     G   1          1H2         G   1   1.689 -14.316  -3.472
   11   2H2     G   1          2H2         G   1   3.006 -14.489  -4.621
   12    H5T    G   1           HB         G   1  11.358 -11.769  -2.775
   13   1H5*    G   2          1H5*        G   2   6.719 -10.402  -7.897
   14   2H5*    G   2          2H5*        G   2   5.963  -8.956  -8.584
   15    H4*    G   2           H4*        G   2   4.551 -11.044  -8.720
   16    H3*    G   2           H3*        G   2   3.518  -8.626  -7.236
   17    H2*    G   2           H2*        G   2   1.434  -9.832  -6.989
   18   2HO*    G   2          2HO*        G   2   1.855 -10.699  -9.246
   19    H1*    G   2           H1*        G   2   2.584 -12.234  -6.347
   20    H8     G   2           H8         G   2   4.720  -9.825  -4.438
   21    H1     G   2           H1         G   2  -1.084 -10.790  -1.807
   22   1H2     G   2          1H2         G   2  -2.472 -11.653  -3.334
   23   2H2     G   2          2H2         G   2  -1.917 -12.067  -4.948
   24   1H5*    C   3          1H5*        C   3   0.338  -9.552  -9.987
   25   2H5*    C   3          2H5*        C   3  -0.238  -8.028 -10.691
   26    H4*    C   3           H4*        C   3  -2.047  -9.212  -9.502
   27    H3*    C   3           H3*        C   3  -1.116  -6.620  -8.223
   28    H2*    C   3           H2*        C   3  -3.003  -6.861  -6.734
   29   2HO*    C   3          2HO*        C   3  -4.267  -7.737  -8.608
   30    H1*    C   3           H1*        C   3  -2.597  -9.557  -6.322
   31   1H4     C   3          1H4         C   3   0.269  -6.891  -1.351
   32   2H4     C   3          2H4         C   3   1.743  -6.620  -2.262
   33    H5     C   3           H5         C   3   1.871  -7.068  -4.729
   34    H6     C   3           H6         C   3   0.640  -7.855  -6.623
   35   1H5*    G   4          1H5*        G   4  -5.457  -6.181  -8.892
   36   2H5*    G   4          2H5*        G   4  -5.766  -4.489  -9.321
   37    H4*    G   4           H4*        G   4  -7.053  -5.225  -7.321
   38    H3*    G   4           H3*        G   4  -4.984  -3.074  -6.835
   39    H2*    G   4           H2*        G   4  -5.939  -2.963  -4.609
   40   2HO*    G   4          2HO*        G   4  -8.122  -3.323  -5.579
   41    H1*    G   4           H1*        G   4  -6.070  -5.650  -4.248
   42    H8     G   4           H8         G   4  -2.853  -4.753  -6.092
   43    H1     G   4           H1         G   4  -2.614  -3.914   0.283
   44   1H2     G   4          1H2         G   4  -4.750  -3.828   1.103
   45   2H2     G   4          2H2         G   4  -6.117  -4.147   0.051
   46   1H5*    U   5          1H5*        U   5  -8.975  -1.651  -5.426
   47   2H5*    U   5          2H5*        U   5  -9.066   0.109  -5.613
   48    H4*    U   5           H4*        U   5  -9.402  -0.720  -3.252
   49    H3*    U   5           H3*        U   5  -7.075   1.143  -3.801
   50    H2*    U   5           H2*        U   5  -6.741   1.168  -1.411
   51   2HO*    U   5          2HO*        U   5  -9.058   1.198  -0.995
   52    H1*    U   5           H1*        U   5  -7.106  -1.534  -1.077
   53    H3     U   5           H3         U   5  -2.701  -0.696  -0.202
   54    H5     U   5           H5         U   5  -2.953  -1.160  -4.385
   55    H6     U   5           H6         U   5  -5.336  -1.062  -4.217
   56   1H5*    U   6          1H5*        U   6  -9.609   2.854  -0.507
   57   2H5*    U   6          2H5*        U   6  -9.421   4.614  -0.447
   58    H4*    U   6           H4*        U   6  -8.706   3.281   1.633
   59    H3*    U   6           H3*        U   6  -6.769   5.219   0.335
   60    H2*    U   6           H2*        U   6  -5.205   4.667   2.051
   61   2HO*    U   6          2HO*        U   6  -7.007   4.693   3.628
   62    H1*    U   6           H1*        U   6  -5.745   1.973   2.128
   63    H3     U   6           H3         U   6  -1.483   2.226   0.619
   64    H5     U   6           H5         U   6  -3.832   3.102  -2.759
   65    H6     U   6           H6         U   6  -5.754   3.245  -1.326
   66   1H5*    C   7          1H5*        C   7  -8.247   7.292   4.124
   67   2H5*    C   7          2H5*        C   7  -8.106   9.056   4.037
   68    H4*    C   7           H4*        C   7  -6.281   7.952   5.367
   69    H3*    C   7           H3*        C   7  -5.541   9.503   2.877
   70    H2*    C   7           H2*        C   7  -3.244   9.093   3.379
   71   2HO*    C   7          2HO*        C   7  -3.990   9.459   5.749
   72    H1*    C   7           H1*        C   7  -3.641   6.505   4.403
   73   1H4     C   7          1H4         C   7  -1.083   5.723  -1.361
   74   2H4     C   7          2H4         C   7  -2.566   6.196  -2.185
   75    H5     C   7           H5         C   7  -4.606   6.889  -0.906
   76    H6     C   7           H6         C   7  -5.453   7.362   1.291
   77   1H5*    G   8          1H5*        G   8  -2.724  11.237   5.094
   78   2H5*    G   8          2H5*        G   8  -2.971  12.996   5.071
   79    H4*    G   8           H4*        G   8  -0.762  12.438   4.142
   80    H3*    G   8           H3*        G   8  -2.844  13.500   2.222
   81    H2*    G   8           H2*        G   8  -1.337  13.456   0.459
   82   2HO*    G   8          2HO*        G   8   0.787  12.999   2.282
   83    H1*    G   8           H1*        G   8   0.012  11.117   1.313
   84    H8     G   8           H8         G   8  -3.792  10.675   1.351
   85    H1     G   8           H1         G   8  -0.849   9.167  -4.173
   86   1H2     G   8          1H2         G   8   1.320  10.078  -4.132
   87   2H2     G   8          2H2         G   8   1.830  10.992  -2.725
   88   1H5*    U   9          1H5*        U   9   0.416  17.349   3.865
   89   2H5*    U   9          2H5*        U   9   0.747  18.161   2.335
   90    H4*    U   9           H4*        U   9   2.914  17.619   2.569
   91    H3*    U   9           H3*        U   9   2.066  15.268   1.491
   92    H2*    U   9           H2*        U   9   1.286  14.356   3.488
   93   2HO*    U   9          2HO*        U   9   3.862  13.434   2.911
   94    H1*    U   9           H1*        U   9   3.873  15.088   4.839
   95    H3     U   9           H3         U   9   2.286  13.954   8.997
   96    H5     U   9           H5         U   9  -1.229  14.663   6.782
   97    H6     U   9           H6         U   9   0.166  15.263   4.878
   98   1H5*    U  10          1H5*        U  10   3.485  13.230   0.375
   99   2H5*    U  10          2H5*        U  10   5.117  13.489  -0.238
  100    H4*    U  10           H4*        U  10   4.049  12.067  -1.829
  101    H3*    U  10           H3*        U  10   5.063  14.474  -2.705
  102    H2*    U  10           H2*        U  10   2.973  15.626  -2.704
  103   2HO*    U  10          2HO*        U  10   3.571  14.441  -5.154
  104    H1*    U  10           H1*        U  10   1.714  13.106  -3.839
  105    H3     U  10           H3         U  10  -2.355  15.106  -4.087
  106    H5     U  10           H5         U  10  -0.674  16.821  -0.630
  107    H6     U  10           H6         U  10   1.280  15.434  -0.945
  108   1H5*    A  11          1H5*        A  11   6.336   9.532  -3.653
  109   2H5*    A  11          2H5*        A  11   5.207  10.706  -3.021
  110    H4*    A  11           H4*        A  11   7.936  11.636  -2.838
  111    H3*    A  11           H3*        A  11   7.101   9.072  -1.495
  112    H2*    A  11           H2*        A  11   8.180   9.744   0.518
  113   2HO*    A  11          2HO*        A  11  10.079  10.429  -0.487
  114    H1*    A  11           H1*        A  11   7.493  12.414   0.332
  115    H8     A  11           H8         A  11   6.849  11.714   2.735
  116   1H6     A  11          1H6         A  11   1.097   9.446   2.781
  117   2H6     A  11          2H6         A  11   2.369  10.224   3.719
  118    H2     A  11           H2         A  11   2.668   9.062  -1.375
  119   1H5*    G  12          1H5*        G  12   9.661   5.602  -0.516
  120   2H5*    G  12          2H5*        G  12   7.975   5.282  -0.933
  121    H4*    G  12           H4*        G  12   9.045   7.235   1.145
  122    H3*    G  12           H3*        G  12   7.320   4.751   1.059
  123    H2*    G  12           H2*        G  12   5.891   5.547   2.759
  124   2HO*    G  12          2HO*        G  12   7.967   6.490   3.769
  125    H1*    G  12           H1*        G  12   5.661   8.098   1.880
  126    H8     G  12           H8         G  12   5.894   6.512  -1.420
  127    H1     G  12           H1         G  12   0.083   5.880   1.233
  128   1H2     G  12          1H2         G  12   0.216   6.341   3.467
  129   2H2     G  12          2H2         G  12   1.751   6.757   4.218
  130   1H5*    A  13          1H5*        A  13   7.986   4.502   5.164
  131   2H5*    A  13          2H5*        A  13   8.270   2.799   5.580
  132    H4*    A  13           H4*        A  13   6.146   3.681   6.540
  133    H3*    A  13           H3*        A  13   5.796   1.534   4.452
  134    H2*    A  13           H2*        A  13   3.443   1.634   5.057
  135   2HO*    A  13          2HO*        A  13   3.303   1.951   7.168
  136    H1*    A  13           H1*        A  13   3.310   4.346   4.979
  137    H8     A  13           H8         A  13   5.660   3.234   2.185
  138   1H6     A  13          1H6         A  13   0.479   2.196  -1.079
  139   2H6     A  13          2H6         A  13   2.235   2.292  -1.139
  140    H2     A  13           H2         A  13  -0.685   2.888   3.172
  141   1H5*    A  14          1H5*        A  14   3.908   0.639   8.382
  142   2H5*    A  14          2H5*        A  14   3.733  -1.100   8.673
  143    H4*    A  14           H4*        A  14   1.578   0.285   8.726
  144    H3*    A  14           H3*        A  14   1.851  -2.098   6.885
  145    H2*    A  14           H2*        A  14  -0.461  -1.730   6.255
  146   2HO*    A  14          2HO*        A  14  -0.910  -1.102   8.550
  147    H1*    A  14           H1*        A  14  -0.245   0.985   5.994
  148    H8     A  14           H8         A  14   3.001  -0.340   4.565
  149   1H6     A  14          1H6         A  14  -0.174  -1.123  -0.706
  150   2H6     A  14          2H6         A  14   1.410  -1.109   0.059
  151    H2     A  14           H2         A  14  -3.121  -0.348   2.576
  152   1H5*    C  15          1H5*        C  15  -1.897  -2.476   9.214
  153   2H5*    C  15          2H5*        C  15  -2.225  -4.180   9.566
  154    H4*    C  15           H4*        C  15  -4.035  -3.023   8.248
  155    H3*    C  15           H3*        C  15  -2.640  -5.380   6.958
  156    H2*    C  15           H2*        C  15  -4.339  -5.188   5.224
  157   2HO*    C  15          2HO*        C  15  -5.918  -4.584   6.964
  158    H1*    C  15           H1*        C  15  -4.151  -2.456   5.040
  159   1H4     C  15          1H4         C  15  -0.183  -4.299   0.446
  160   2H4     C  15          2H4         C  15   1.105  -4.568   1.602
  161    H5     C  15           H5         C  15   0.748  -4.420   4.059
  162    H6     C  15           H6         C  15  -0.867  -3.957   5.762
  163   1H5*    G  16          1H5*        G  16  -6.960  -6.222   6.901
  164   2H5*    G  16          2H5*        G  16  -7.190  -7.960   7.175
  165    H4*    G  16           H4*        G  16  -8.179  -7.182   5.011
  166    H3*    G  16           H3*        G  16  -5.893  -9.152   4.896
  167    H2*    G  16           H2*        G  16  -6.237  -9.249   2.537
  168   2HO*    G  16          2HO*        G  16  -8.035  -8.487   1.536
  169    H1*    G  16           H1*        G  16  -6.680  -6.557   2.213
  170    H8     G  16           H8         G  16  -3.718  -7.047   4.570
  171    H1     G  16           H1         G  16  -2.289  -7.609  -1.678
  172   1H2     G  16          1H2         G  16  -4.206  -8.033  -2.847
  173   2H2     G  16          2H2         G  16  -5.773  -7.979  -2.054
  174   1H5*    U  17          1H5*        U  17  -8.648 -10.841   2.298
  175   2H5*    U  17          2H5*        U  17  -8.738 -12.578   2.570
  176    H4*    U  17           H4*        U  17  -7.999 -12.139   0.274
  177    H3*    U  17           H3*        U  17  -5.842 -13.240   2.100
  178    H2*    U  17           H2*        U  17  -4.431 -13.379   0.182
  179   2HO*    U  17          2HO*        U  17  -6.138 -14.160  -1.194
  180    H1*    U  17           H1*        U  17  -5.203 -10.932  -0.865
  181    H3     U  17           H3         U  17  -0.838 -10.322   0.386
  182    H5     U  17           H5         U  17  -2.925 -10.517   4.030
  183    H6     U  17           H6         U  17  -4.939 -11.001   2.826
  184   1H5*    C  18          1H5*        C  18  -6.514 -16.038  -1.582
  185   2H5*    C  18          2H5*        C  18  -6.136 -17.668  -0.988
  186    H4*    C  18           H4*        C  18  -4.833 -17.063  -3.039
  187    H3*    C  18           H3*        C  18  -3.244 -17.470  -0.484
  188    H2*    C  18           H2*        C  18  -1.276 -17.302  -1.816
  189   2HO*    C  18          2HO*        C  18  -1.325 -17.298  -4.056
  190    H1*    C  18           H1*        C  18  -2.274 -15.189  -3.353
  191   1H4     C  18          1H4         C  18   1.433 -12.352   0.939
  192   2H4     C  18          2H4         C  18   0.247 -12.530   2.213
  193    H5     C  18           H5         C  18  -1.828 -13.926   1.884
  194    H6     C  18           H6         C  18  -3.101 -15.165   0.259
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  10.624 -14.184  -3.312
    2   2H5*    G   1          2H5*        G   1  10.594 -12.665  -4.228
    3    H4*    G   1           H4*        G   1   9.140 -14.344  -5.266
    4    H3*    G   1           H3*        G   1   7.668 -12.008  -4.031
    5    H2*    G   1           H2*        G   1   5.711 -12.918  -5.100
    6   2HO*    G   1          2HO*        G   1   6.954 -13.531  -7.026
    7    H1*    G   1           H1*        G   1   6.198 -15.494  -4.344
    8    H8     G   1           H8         G   1   7.287 -13.132  -1.576
    9    H1     G   1           H1         G   1   0.939 -14.137  -1.714
   10   1H2     G   1          1H2         G   1   0.373 -15.101  -3.705
   11   2H2     G   1          2H2         G   1   1.604 -15.523  -4.885
   12    H5T    G   1           HB         G   1  10.414 -12.212  -2.044
   13   1H5*    G   2          1H5*        G   2   6.622 -12.181  -8.320
   14   2H5*    G   2          2H5*        G   2   6.216 -10.556  -8.896
   15    H4*    G   2           H4*        G   2   4.371 -12.268  -9.115
   16    H3*    G   2           H3*        G   2   3.829  -9.803  -7.464
   17    H2*    G   2           H2*        G   2   1.538 -10.636  -7.315
   18   2HO*    G   2          2HO*        G   2   1.819 -11.483  -9.593
   19    H1*    G   2           H1*        G   2   2.254 -13.173  -6.688
   20    H8     G   2           H8         G   2   4.821 -11.018  -4.908
   21    H1     G   2           H1         G   2  -0.953 -11.141  -2.088
   22   1H2     G   2          1H2         G   2  -2.493 -11.843  -3.549
   23   2H2     G   2          2H2         G   2  -2.041 -12.429  -5.142
   24   1H5*    C   3          1H5*        C   3   0.474 -10.166 -10.175
   25   2H5*    C   3          2H5*        C   3   0.075  -8.558 -10.800
   26    H4*    C   3           H4*        C   3  -1.848  -9.634  -9.661
   27    H3*    C   3           H3*        C   3  -0.720  -7.141  -8.352
   28    H2*    C   3           H2*        C   3  -2.643  -7.235  -6.889
   29   2HO*    C   3          2HO*        C   3  -3.956  -8.027  -8.764
   30    H1*    C   3           H1*        C   3  -2.439  -9.939  -6.441
   31   1H4     C   3          1H4         C   3   0.625  -7.199  -1.599
   32   2H4     C   3          2H4         C   3   2.148  -7.276  -2.467
   33    H5     C   3           H5         C   3   2.264  -8.016  -4.880
   34    H6     C   3           H6         C   3   0.964  -8.728  -6.732
   35   1H5*    G   4          1H5*        G   4  -4.995  -6.487  -8.988
   36   2H5*    G   4          2H5*        G   4  -5.279  -4.777  -9.352
   37    H4*    G   4           H4*        G   4  -6.523  -5.619  -7.334
   38    H3*    G   4           H3*        G   4  -4.517  -3.402  -6.905
   39    H2*    G   4           H2*        G   4  -5.422  -3.310  -4.670
   40   2HO*    G   4          2HO*        G   4  -7.627  -3.727  -5.521
   41    H1*    G   4           H1*        G   4  -5.457  -5.994  -4.285
   42    H8     G   4           H8         G   4  -2.305  -5.066  -6.154
   43    H1     G   4           H1         G   4  -2.138  -3.708   0.137
   44   1H2     G   4          1H2         G   4  -4.283  -3.693   0.949
   45   2H2     G   4          2H2         G   4  -5.616  -4.179  -0.081
   46   1H5*    U   5          1H5*        U   5  -8.579  -2.258  -5.477
   47   2H5*    U   5          2H5*        U   5  -8.816  -0.513  -5.652
   48    H4*    U   5           H4*        U   5  -9.121  -1.415  -3.304
   49    H3*    U   5           H3*        U   5  -7.019   0.708  -3.814
   50    H2*    U   5           H2*        U   5  -6.779   0.809  -1.402
   51   2HO*    U   5          2HO*        U   5  -9.155   0.438  -1.190
   52    H1*    U   5           H1*        U   5  -6.765  -1.916  -1.065
   53    H3     U   5           H3         U   5  -2.525  -0.429  -0.180
   54    H5     U   5           H5         U   5  -2.651  -1.297  -4.309
   55    H6     U   5           H6         U   5  -5.027  -1.409  -4.176
   56   1H5*    U   6          1H5*        U   6  -9.760   1.994  -0.618
   57   2H5*    U   6          2H5*        U   6  -9.964   3.751  -0.642
   58    H4*    U   6           H4*        U   6  -9.044   2.787   1.527
   59    H3*    U   6           H3*        U   6  -7.472   4.863  -0.020
   60    H2*    U   6           H2*        U   6  -5.933   4.892   1.824
   61   2HO*    U   6          2HO*        U   6  -7.785   4.751   3.335
   62    H1*    U   6           H1*        U   6  -5.983   2.148   2.254
   63    H3     U   6           H3         U   6  -1.700   2.859   0.917
   64    H5     U   6           H5         U   6  -3.944   2.953  -2.641
   65    H6     U   6           H6         U   6  -5.959   2.975  -1.324
   66   1H5*    C   7          1H5*        C   7  -8.105   6.518   4.052
   67   2H5*    C   7          2H5*        C   7  -8.189   8.290   3.947
   68    H4*    C   7           H4*        C   7  -6.245   7.432   5.323
   69    H3*    C   7           H3*        C   7  -5.637   9.029   2.837
   70    H2*    C   7           H2*        C   7  -3.318   8.875   3.407
   71   2HO*    C   7          2HO*        C   7  -2.611   8.170   5.407
   72    H1*    C   7           H1*        C   7  -3.470   6.221   4.294
   73   1H4     C   7          1H4         C   7  -0.837   6.116  -1.466
   74   2H4     C   7          2H4         C   7  -2.338   6.552  -2.282
   75    H5     C   7           H5         C   7  -4.446   6.970  -0.988
   76    H6     C   7           H6         C   7  -5.353   7.181   1.227
   77   1H5*    G   8          1H5*        G   8  -2.999  10.833   5.345
   78   2H5*    G   8          2H5*        G   8  -3.308  12.579   5.363
   79    H4*    G   8           H4*        G   8  -0.982  12.137   4.649
   80    H3*    G   8           H3*        G   8  -2.893  13.249   2.588
   81    H2*    G   8           H2*        G   8  -1.145  13.360   1.025
   82   2HO*    G   8          2HO*        G   8   1.016  13.117   1.573
   83    H1*    G   8           H1*        G   8   0.083  10.973   1.768
   84    H8     G   8           H8         G   8  -3.709  10.540   1.609
   85    H1     G   8           H1         G   8  -0.603   9.524  -3.933
   86   1H2     G   8          1H2         G   8   1.554  10.358  -3.761
   87   2H2     G   8          2H2         G   8   2.074  11.144  -2.292
   88   1H5*    U   9          1H5*        U   9  -0.130  18.172   3.383
   89   2H5*    U   9          2H5*        U   9   0.124  17.577   1.726
   90    H4*    U   9           H4*        U   9   2.257  18.330   2.579
   91    H3*    U   9           H3*        U   9   1.903  15.689   1.664
   92    H2*    U   9           H2*        U   9   1.925  14.626   3.700
   93   2HO*    U   9          2HO*        U   9   4.505  15.016   2.753
   94    H1*    U   9           H1*        U   9   4.013  16.559   4.675
   95    H3     U   9           H3         U   9   3.714  15.029   8.987
   96    H5     U   9           H5         U   9  -0.048  14.046   7.356
   97    H6     U   9           H6         U   9   0.633  15.109   5.283
   98   1H5*    U  10          1H5*        U  10   3.593  14.106   0.590
   99   2H5*    U  10          2H5*        U  10   4.988  14.635  -0.354
  100    H4*    U  10           H4*        U  10   3.947  12.723  -1.488
  101    H3*    U  10           H3*        U  10   4.521  15.019  -2.790
  102    H2*    U  10           H2*        U  10   2.281  15.939  -2.602
  103   2HO*    U  10          2HO*        U  10   1.230  15.634  -4.624
  104    H1*    U  10           H1*        U  10   1.305  13.151  -3.285
  105    H3     U  10           H3         U  10  -3.102  14.213  -3.095
  106    H5     U  10           H5         U  10  -1.389  16.807  -0.260
  107    H6     U  10           H6         U  10   0.770  15.831  -0.731
  108   1H5*    A  11          1H5*        A  11   6.056  10.016  -3.285
  109   2H5*    A  11          2H5*        A  11   4.924  11.192  -2.659
  110    H4*    A  11           H4*        A  11   7.590  12.273  -2.931
  111    H3*    A  11           H3*        A  11   7.103   9.925  -1.102
  112    H2*    A  11           H2*        A  11   8.459  10.994   0.567
  113   2HO*    A  11          2HO*        A  11  10.023  11.861  -0.999
  114    H1*    A  11           H1*        A  11   7.345  13.434   0.235
  115    H8     A  11           H8         A  11   7.094  12.866   2.641
  116   1H6     A  11          1H6         A  11   1.586  10.246   3.640
  117   2H6     A  11          2H6         A  11   2.968  11.054   4.374
  118    H2     A  11           H2         A  11   2.567   9.758  -0.674
  119   1H5*    G  12          1H5*        G  12   9.832   6.985   0.106
  120   2H5*    G  12          2H5*        G  12   8.434   7.569  -0.829
  121    H4*    G  12           H4*        G  12   8.886   8.490   2.031
  122    H3*    G  12           H3*        G  12   7.536   5.954   1.041
  123    H2*    G  12           H2*        G  12   5.960   6.225   2.854
  124   2HO*    G  12          2HO*        G  12   7.809   7.087   4.206
  125    H1*    G  12           H1*        G  12   5.532   8.856   2.389
  126    H8     G  12           H8         G  12   6.132   7.516  -1.075
  127    H1     G  12           H1         G  12   0.221   6.383   1.169
  128   1H2     G  12          1H2         G  12   0.209   6.714   3.434
  129   2H2     G  12          2H2         G  12   1.653   7.248   4.284
  130   1H5*    A  13          1H5*        A  13   7.886   5.364   5.305
  131   2H5*    A  13          2H5*        A  13   8.167   3.647   5.645
  132    H4*    A  13           H4*        A  13   6.074   4.547   6.678
  133    H3*    A  13           H3*        A  13   5.706   2.365   4.629
  134    H2*    A  13           H2*        A  13   3.366   2.421   5.326
  135   2HO*    A  13          2HO*        A  13   3.952   2.845   7.574
  136    H1*    A  13           H1*        A  13   3.163   5.124   5.176
  137    H8     A  13           H8         A  13   5.490   4.209   2.327
  138   1H6     A  13          1H6         A  13   0.332   2.796  -0.829
  139   2H6     A  13          2H6         A  13   2.075   3.030  -0.921
  140    H2     A  13           H2         A  13  -0.793   3.362   3.451
  141   1H5*    A  14          1H5*        A  14   3.829   1.388   8.531
  142   2H5*    A  14          2H5*        A  14   3.767  -0.361   8.799
  143    H4*    A  14           H4*        A  14   1.524   0.854   8.820
  144    H3*    A  14           H3*        A  14   2.008  -1.438   6.905
  145    H2*    A  14           H2*        A  14  -0.322  -1.230   6.269
  146   2HO*    A  14          2HO*        A  14  -0.806  -0.694   8.595
  147    H1*    A  14           H1*        A  14  -0.298   1.501   6.084
  148    H8     A  14           H8         A  14   3.056   0.436   4.689
  149   1H6     A  14          1H6         A  14   0.045  -0.611  -0.633
  150   2H6     A  14          2H6         A  14   1.608  -0.493   0.165
  151    H2     A  14           H2         A  14  -3.013   0.059   2.573
  152   1H5*    C  15          1H5*        C  15  -1.705  -2.215   9.118
  153   2H5*    C  15          2H5*        C  15  -1.895  -3.952   9.409
  154    H4*    C  15           H4*        C  15  -3.770  -2.916   8.091
  155    H3*    C  15           H3*        C  15  -2.143  -5.078   6.736
  156    H2*    C  15           H2*        C  15  -3.843  -4.983   4.995
  157   2HO*    C  15          2HO*        C  15  -5.512  -4.616   6.678
  158    H1*    C  15           H1*        C  15  -3.880  -2.244   4.898
  159   1H4     C  15          1H4         C  15   0.261  -3.931   0.345
  160   2H4     C  15          2H4         C  15   1.551  -4.071   1.521
  161    H5     C  15           H5         C  15   1.170  -3.833   3.964
  162    H6     C  15           H6         C  15  -0.485  -3.431   5.642
  163   1H5*    G  16          1H5*        G  16  -6.426  -6.259   6.802
  164   2H5*    G  16          2H5*        G  16  -6.524  -8.014   7.039
  165    H4*    G  16           H4*        G  16  -7.720  -7.226   4.988
  166    H3*    G  16           H3*        G  16  -5.354  -9.095   4.648
  167    H2*    G  16           H2*        G  16  -5.876  -9.133   2.304
  168   2HO*    G  16          2HO*        G  16  -8.252  -9.054   3.010
  169    H1*    G  16           H1*        G  16  -6.407  -6.484   2.064
  170    H8     G  16           H8         G  16  -3.344  -6.841   4.317
  171    H1     G  16           H1         G  16  -2.047  -7.534  -1.943
  172   1H2     G  16          1H2         G  16  -3.978  -8.051  -3.047
  173   2H2     G  16          2H2         G  16  -5.532  -7.982  -2.223
  174   1H5*    U  17          1H5*        U  17  -8.261 -10.846   2.134
  175   2H5*    U  17          2H5*        U  17  -8.216 -12.594   2.297
  176    H4*    U  17           H4*        U  17  -7.714 -11.886  -0.012
  177    H3*    U  17           H3*        U  17  -5.340 -13.135   1.423
  178    H2*    U  17           H2*        U  17  -4.140 -12.913  -0.639
  179   2HO*    U  17          2HO*        U  17  -6.146 -13.510  -1.821
  180    H1*    U  17           H1*        U  17  -4.998 -10.387  -1.181
  181    H3     U  17           H3         U  17  -0.532 -10.204  -0.127
  182    H5     U  17           H5         U  17  -2.490 -10.446   3.588
  183    H6     U  17           H6         U  17  -4.553 -10.832   2.445
  184   1H5*    C  18          1H5*        C  18  -7.742 -16.319  -1.270
  185   2H5*    C  18          2H5*        C  18  -7.504 -18.011  -0.802
  186    H4*    C  18           H4*        C  18  -6.144 -17.440  -2.769
  187    H3*    C  18           H3*        C  18  -4.560 -17.975  -0.228
  188    H2*    C  18           H2*        C  18  -2.590 -17.829  -1.558
  189   2HO*    C  18          2HO*        C  18  -3.988 -19.033  -3.230
  190    H1*    C  18           H1*        C  18  -3.562 -15.774  -3.216
  191   1H4     C  18          1H4         C  18   0.574 -13.044   0.794
  192   2H4     C  18          2H4         C  18  -0.531 -13.163   2.148
  193    H5     C  18           H5         C  18  -2.737 -14.342   1.946
  194    H6     C  18           H6         C  18  -4.179 -15.538   0.432
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  10.841  -8.987  -3.488
    2   2H5*    G   1          2H5*        G   1  10.006  -9.500  -2.004
    3    H4*    G   1           H4*        G   1  10.118 -11.094  -4.614
    4    H3*    G   1           H3*        G   1   7.941  -9.407  -3.373
    5    H2*    G   1           H2*        G   1   6.406 -10.909  -4.462
    6   2HO*    G   1          2HO*        G   1   7.890 -11.071  -6.359
    7    H1*    G   1           H1*        G   1   7.699 -13.174  -3.679
    8    H8     G   1           H8         G   1   7.991 -10.599  -0.939
    9    H1     G   1           H1         G   1   2.088 -13.095  -1.338
   10   1H2     G   1          1H2         G   1   1.861 -14.139  -3.361
   11   2H2     G   1          2H2         G   1   3.232 -14.303  -4.448
   12    H5T    G   1           HB         G   1  11.354 -11.419  -2.129
   13   1H5*    G   2          1H5*        G   2   7.032 -10.077  -7.576
   14   2H5*    G   2          2H5*        G   2   6.195  -8.679  -8.266
   15    H4*    G   2           H4*        G   2   4.961 -10.896  -8.421
   16    H3*    G   2           H3*        G   2   3.684  -8.517  -7.065
   17    H2*    G   2           H2*        G   2   1.678  -9.866  -6.869
   18   2HO*    G   2          2HO*        G   2   2.303 -10.804  -9.063
   19    H1*    G   2           H1*        G   2   2.965 -12.128  -6.045
   20    H8     G   2           H8         G   2   4.890  -9.530  -4.177
   21    H1     G   2           H1         G   2  -0.994 -10.596  -1.784
   22   1H2     G   2          1H2         G   2  -2.272 -11.586  -3.332
   23   2H2     G   2          2H2         G   2  -1.613 -12.074  -4.886
   24   1H5*    C   3          1H5*        C   3   0.636  -9.755  -9.779
   25   2H5*    C   3          2H5*        C   3  -0.018  -8.312 -10.577
   26    H4*    C   3           H4*        C   3  -1.771  -9.527  -9.340
   27    H3*    C   3           H3*        C   3  -1.017  -6.822  -8.181
   28    H2*    C   3           H2*        C   3  -2.908  -7.109  -6.707
   29   2HO*    C   3          2HO*        C   3  -4.092  -8.167  -8.538
   30    H1*    C   3           H1*        C   3  -2.330  -9.739  -6.137
   31   1H4     C   3          1H4         C   3   0.285  -6.563  -1.344
   32   2H4     C   3          2H4         C   3   1.765  -6.282  -2.245
   33    H5     C   3           H5         C   3   1.974  -6.935  -4.665
   34    H6     C   3           H6         C   3   0.811  -7.909  -6.513
   35   1H5*    G   4          1H5*        G   4  -5.352  -6.727  -8.768
   36   2H5*    G   4          2H5*        G   4  -5.818  -5.077  -9.214
   37    H4*    G   4           H4*        G   4  -6.951  -5.903  -7.147
   38    H3*    G   4           H3*        G   4  -5.112  -3.527  -6.809
   39    H2*    G   4           H2*        G   4  -6.016  -3.429  -4.567
   40   2HO*    G   4          2HO*        G   4  -8.177  -4.088  -5.464
   41    H1*    G   4           H1*        G   4  -5.840  -6.099  -4.103
   42    H8     G   4           H8         G   4  -2.787  -4.964  -6.046
   43    H1     G   4           H1         G   4  -2.605  -3.578   0.237
   44   1H2     G   4          1H2         G   4  -4.741  -3.624   1.065
   45   2H2     G   4          2H2         G   4  -6.062  -4.190   0.059
   46   1H5*    U   5          1H5*        U   5  -9.162  -2.538  -5.290
   47   2H5*    U   5          2H5*        U   5  -9.490  -0.820  -5.566
   48    H4*    U   5           H4*        U   5  -9.663  -1.533  -3.162
   49    H3*    U   5           H3*        U   5  -7.572   0.546  -3.874
   50    H2*    U   5           H2*        U   5  -7.258   0.789  -1.484
   51   2HO*    U   5          2HO*        U   5  -9.630   0.444  -1.177
   52    H1*    U   5           H1*        U   5  -7.233  -1.910  -0.991
   53    H3     U   5           H3         U   5  -2.977  -0.388  -0.335
   54    H5     U   5           H5         U   5  -3.257  -1.290  -4.450
   55    H6     U   5           H6         U   5  -5.624  -1.484  -4.207
   56   1H5*    U   6          1H5*        U   6 -10.163   2.098  -0.661
   57   2H5*    U   6          2H5*        U   6 -10.299   3.859  -0.765
   58    H4*    U   6           H4*        U   6  -9.342   2.951   1.411
   59    H3*    U   6           H3*        U   6  -7.707   4.894  -0.241
   60    H2*    U   6           H2*        U   6  -6.137   4.900   1.597
   61   2HO*    U   6          2HO*        U   6  -7.963   4.853   3.138
   62    H1*    U   6           H1*        U   6  -6.279   2.173   2.053
   63    H3     U   6           H3         U   6  -2.031   2.761   0.547
   64    H5     U   6           H5         U   6  -4.407   2.864  -2.927
   65    H6     U   6           H6         U   6  -6.370   2.935  -1.536
   66   1H5*    C   7          1H5*        C   7  -8.181   6.477   3.934
   67   2H5*    C   7          2H5*        C   7  -8.146   8.250   3.901
   68    H4*    C   7           H4*        C   7  -6.292   7.165   5.277
   69    H3*    C   7           H3*        C   7  -5.603   8.952   2.941
   70    H2*    C   7           H2*        C   7  -3.298   8.681   3.473
   71   2HO*    C   7          2HO*        C   7  -2.596   7.810   5.412
   72    H1*    C   7           H1*        C   7  -3.515   5.975   4.180
   73   1H4     C   7          1H4         C   7  -0.963   5.898  -1.628
   74   2H4     C   7          2H4         C   7  -2.460   6.422  -2.389
   75    H5     C   7           H5         C   7  -4.483   7.012  -1.044
   76    H6     C   7           H6         C   7  -5.345   7.208   1.183
   77   1H5*    G   8          1H5*        G   8  -2.960  10.528   5.528
   78   2H5*    G   8          2H5*        G   8  -3.152  12.291   5.604
   79    H4*    G   8           H4*        G   8  -0.879  11.679   4.796
   80    H3*    G   8           H3*        G   8  -2.739  13.048   2.848
   81    H2*    G   8           H2*        G   8  -0.997  13.070   1.247
   82   2HO*    G   8          2HO*        G   8   1.129  12.555   1.754
   83    H1*    G   8           H1*        G   8  -0.041  10.533   1.824
   84    H8     G   8           H8         G   8  -3.868  10.558   1.771
   85    H1     G   8           H1         G   8  -1.046   9.578  -3.921
   86   1H2     G   8          1H2         G   8   1.183  10.192  -3.768
   87   2H2     G   8          2H2         G   8   1.808  10.823  -2.257
   88   1H5*    U   9          1H5*        U   9   0.633  17.614   3.733
   89   2H5*    U   9          2H5*        U   9   0.736  17.061   2.046
   90    H4*    U   9           H4*        U   9   2.973  17.525   2.822
   91    H3*    U   9           H3*        U   9   2.290  14.985   1.813
   92    H2*    U   9           H2*        U   9   2.242  13.863   3.823
   93   2HO*    U   9          2HO*        U   9   4.802  13.919   2.757
   94    H1*    U   9           H1*        U   9   4.612  15.463   4.744
   95    H3     U   9           H3         U   9   4.281  13.840   9.041
   96    H5     U   9           H5         U   9   0.355  13.450   7.557
   97    H6     U   9           H6         U   9   1.104  14.437   5.466
   98   1H5*    U  10          1H5*        U  10   4.087  13.273   0.398
   99   2H5*    U  10          2H5*        U  10   5.499  13.947  -0.433
  100    H4*    U  10           H4*        U  10   4.536  12.222  -1.857
  101    H3*    U  10           H3*        U  10   5.067  14.728  -2.784
  102    H2*    U  10           H2*        U  10   2.806  15.550  -2.601
  103   2HO*    U  10          2HO*        U  10   3.382  14.457  -5.092
  104    H1*    U  10           H1*        U  10   1.889  12.851  -3.638
  105    H3     U  10           H3         U  10  -2.535  13.766  -3.229
  106    H5     U  10           H5         U  10  -0.838  15.887  -0.016
  107    H6     U  10           H6         U  10   1.341  15.114  -0.703
  108   1H5*    A  11          1H5*        A  11   6.594   9.740  -3.996
  109   2H5*    A  11          2H5*        A  11   5.468  10.834  -3.213
  110    H4*    A  11           H4*        A  11   8.221  11.727  -3.158
  111    H3*    A  11           H3*        A  11   7.357   9.253  -1.645
  112    H2*    A  11           H2*        A  11   8.750   9.979   0.178
  113   2HO*    A  11          2HO*        A  11  10.455  10.846  -1.239
  114    H1*    A  11           H1*        A  11   7.858  12.538   0.103
  115    H8     A  11           H8         A  11   7.301  11.790   2.417
  116   1H6     A  11          1H6         A  11   1.627   9.371   2.605
  117   2H6     A  11          2H6         A  11   2.928  10.125   3.520
  118    H2     A  11           H2         A  11   3.058   9.166  -1.624
  119   1H5*    G  12          1H5*        G  12   9.800   5.935  -0.624
  120   2H5*    G  12          2H5*        G  12   8.449   6.730  -1.474
  121    H4*    G  12           H4*        G  12   9.008   7.354   1.443
  122    H3*    G  12           H3*        G  12   7.442   5.007   0.331
  123    H2*    G  12           H2*        G  12   5.967   5.293   2.231
  124   2HO*    G  12          2HO*        G  12   7.887   5.903   3.581
  125    H1*    G  12           H1*        G  12   5.732   7.975   1.927
  126    H8     G  12           H8         G  12   6.084   6.685  -1.599
  127    H1     G  12           H1         G  12   0.196   5.957   0.874
  128   1H2     G  12          1H2         G  12   0.291   6.274   3.136
  129   2H2     G  12          2H2         G  12   1.805   6.684   3.928
  130   1H5*    A  13          1H5*        A  13   7.926   4.234   4.589
  131   2H5*    A  13          2H5*        A  13   8.038   2.489   4.881
  132    H4*    A  13           H4*        A  13   6.093   3.625   6.027
  133    H3*    A  13           H3*        A  13   5.479   1.440   4.046
  134    H2*    A  13           H2*        A  13   3.168   1.710   4.740
  135   2HO*    A  13          2HO*        A  13   3.136   2.086   6.844
  136    H1*    A  13           H1*        A  13   3.187   4.425   4.617
  137    H8     A  13           H8         A  13   5.300   3.336   1.672
  138   1H6     A  13          1H6         A  13  -0.100   2.433  -1.258
  139   2H6     A  13          2H6         A  13   1.652   2.489  -1.421
  140    H2     A  13           H2         A  13  -0.978   3.061   3.075
  141   1H5*    A  14          1H5*        A  14   3.745   0.813   8.115
  142   2H5*    A  14          2H5*        A  14   3.524  -0.904   8.496
  143    H4*    A  14           H4*        A  14   1.412   0.532   8.572
  144    H3*    A  14           H3*        A  14   1.566  -1.904   6.788
  145    H2*    A  14           H2*        A  14  -0.742  -1.490   6.194
  146   2HO*    A  14          2HO*        A  14  -1.120  -0.799   8.489
  147    H1*    A  14           H1*        A  14  -0.474   1.212   5.867
  148    H8     A  14           H8         A  14   2.693  -0.353   4.431
  149   1H6     A  14          1H6         A  14  -0.516  -0.873  -0.832
  150   2H6     A  14          2H6         A  14   1.051  -1.014  -0.050
  151    H2     A  14           H2         A  14  -3.401   0.190   2.428
  152   1H5*    C  15          1H5*        C  15  -2.129  -2.193   9.189
  153   2H5*    C  15          2H5*        C  15  -2.473  -3.892   9.557
  154    H4*    C  15           H4*        C  15  -4.277  -2.751   8.233
  155    H3*    C  15           H3*        C  15  -2.856  -5.083   6.919
  156    H2*    C  15           H2*        C  15  -4.542  -4.891   5.175
  157   2HO*    C  15          2HO*        C  15  -6.140  -4.315   6.908
  158    H1*    C  15           H1*        C  15  -4.369  -2.157   5.018
  159   1H4     C  15          1H4         C  15  -0.283  -3.907   0.473
  160   2H4     C  15          2H4         C  15   0.954  -4.262   1.660
  161    H5     C  15           H5         C  15   0.528  -4.203   4.105
  162    H6     C  15           H6         C  15  -1.121  -3.758   5.777
  163   1H5*    G  16          1H5*        G  16  -7.135  -5.996   6.782
  164   2H5*    G  16          2H5*        G  16  -7.345  -7.738   7.040
  165    H4*    G  16           H4*        G  16  -8.304  -6.944   4.863
  166    H3*    G  16           H3*        G  16  -6.004  -8.900   4.764
  167    H2*    G  16           H2*        G  16  -6.318  -8.981   2.398
  168   2HO*    G  16          2HO*        G  16  -8.101  -8.200   1.382
  169    H1*    G  16           H1*        G  16  -6.751  -6.281   2.100
  170    H8     G  16           H8         G  16  -3.828  -6.686   4.487
  171    H1     G  16           H1         G  16  -2.303  -7.458  -1.710
  172   1H2     G  16          1H2         G  16  -4.173  -8.085  -2.857
  173   2H2     G  16          2H2         G  16  -5.755  -8.078  -2.086
  174   1H5*    U  17          1H5*        U  17  -8.676 -10.578   2.072
  175   2H5*    U  17          2H5*        U  17  -8.770 -12.318   2.337
  176    H4*    U  17           H4*        U  17  -7.966 -11.859   0.060
  177    H3*    U  17           H3*        U  17  -5.881 -12.989   1.948
  178    H2*    U  17           H2*        U  17  -4.397 -13.117   0.091
  179   2HO*    U  17          2HO*        U  17  -6.006 -13.895  -1.378
  180    H1*    U  17           H1*        U  17  -5.130 -10.667  -0.980
  181    H3     U  17           H3         U  17  -0.817 -10.033   0.392
  182    H5     U  17           H5         U  17  -3.018 -10.176   3.973
  183    H6     U  17           H6         U  17  -4.985 -10.715   2.714
  184   1H5*    C  18          1H5*        C  18  -6.418 -15.693  -1.791
  185   2H5*    C  18          2H5*        C  18  -6.152 -17.347  -1.204
  186    H4*    C  18           H4*        C  18  -4.714 -16.803  -3.168
  187    H3*    C  18           H3*        C  18  -3.325 -17.329  -0.515
  188    H2*    C  18           H2*        C  18  -1.243 -17.139  -1.647
  189   2HO*    C  18          2HO*        C  18  -2.461 -18.337  -3.461
  190    H1*    C  18           H1*        C  18  -2.050 -15.070  -3.355
  191   1H4     C  18          1H4         C  18   1.374 -12.088   1.077
  192   2H4     C  18          2H4         C  18   0.123 -12.243   2.291
  193    H5     C  18           H5         C  18  -1.933 -13.655   1.873
  194    H6     C  18           H6         C  18  -3.101 -14.939   0.206
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  11.154 -13.504  -3.435
    2   2H5*    G   1          2H5*        G   1  10.998 -11.869  -4.107
    3    H4*    G   1           H4*        G   1   9.543 -13.577  -5.228
    4    H3*    G   1           H3*        G   1   8.102 -11.314  -3.825
    5    H2*    G   1           H2*        G   1   6.142 -12.177  -4.970
    6   2HO*    G   1          2HO*        G   1   7.330 -12.659  -6.925
    7    H1*    G   1           H1*        G   1   6.698 -14.789  -4.356
    8    H8     G   1           H8         G   1   7.606 -12.525  -1.418
    9    H1     G   1           H1         G   1   1.318 -13.782  -1.837
   10   1H2     G   1          1H2         G   1   0.857 -14.665  -3.889
   11   2H2     G   1          2H2         G   1   2.141 -14.990  -5.043
   12    H5T    G   1           HB         G   1   9.732 -12.871  -1.775
   13   1H5*    G   2          1H5*        G   2   7.070 -11.270  -8.156
   14   2H5*    G   2          2H5*        G   2   6.597  -9.632  -8.639
   15    H4*    G   2           H4*        G   2   4.843 -11.425  -8.985
   16    H3*    G   2           H3*        G   2   4.158  -9.065  -7.232
   17    H2*    G   2           H2*        G   2   1.904 -10.004  -7.168
   18   2HO*    G   2          2HO*        G   2   2.263 -10.729  -9.474
   19    H1*    G   2           H1*        G   2   2.722 -12.529  -6.635
   20    H8     G   2           H8         G   2   5.164 -10.350  -4.714
   21    H1     G   2           H1         G   2  -0.660 -10.756  -2.034
   22   1H2     G   2          1H2         G   2  -2.147 -11.445  -3.557
   23   2H2     G   2          2H2         G   2  -1.641 -11.960  -5.159
   24   1H5*    C   3          1H5*        C   3   0.873  -9.442 -10.006
   25   2H5*    C   3          2H5*        C   3   0.397  -7.830 -10.565
   26    H4*    C   3           H4*        C   3  -1.472  -9.078  -9.495
   27    H3*    C   3           H3*        C   3  -0.530  -6.550  -8.111
   28    H2*    C   3           H2*        C   3  -2.448  -6.815  -6.657
   29   2HO*    C   3          2HO*        C   3  -3.691  -7.647  -8.565
   30    H1*    C   3           H1*        C   3  -2.071  -9.511  -6.284
   31   1H4     C   3          1H4         C   3   0.793  -6.812  -1.306
   32   2H4     C   3          2H4         C   3   2.330  -6.821  -2.151
   33    H5     C   3           H5         C   3   2.510  -7.464  -4.585
   34    H6     C   3           H6         C   3   1.265  -8.143  -6.486
   35   1H5*    G   4          1H5*        G   4  -4.870  -6.205  -8.737
   36   2H5*    G   4          2H5*        G   4  -5.264  -4.520  -9.110
   37    H4*    G   4           H4*        G   4  -6.481  -5.432  -7.108
   38    H3*    G   4           H3*        G   4  -4.628  -3.089  -6.667
   39    H2*    G   4           H2*        G   4  -5.532  -3.053  -4.434
   40   2HO*    G   4          2HO*        G   4  -7.708  -3.565  -5.298
   41    H1*    G   4           H1*        G   4  -5.464  -5.755  -4.062
   42    H8     G   4           H8         G   4  -2.308  -4.674  -5.842
   43    H1     G   4           H1         G   4  -2.322  -3.422   0.473
   44   1H2     G   4          1H2         G   4  -4.486  -3.483   1.235
   45   2H2     G   4          2H2         G   4  -5.785  -3.968   0.161
   46   1H5*    U   5          1H5*        U   5  -8.792  -2.155  -5.276
   47   2H5*    U   5          2H5*        U   5  -9.114  -0.429  -5.508
   48    H4*    U   5           H4*        U   5  -9.401  -1.240  -3.136
   49    H3*    U   5           H3*        U   5  -7.340   0.910  -3.699
   50    H2*    U   5           H2*        U   5  -7.088   1.080  -1.297
   51   2HO*    U   5          2HO*        U   5  -9.470   0.686  -1.088
   52    H1*    U   5           H1*        U   5  -7.059  -1.636  -0.872
   53    H3     U   5           H3         U   5  -2.820  -0.216   0.012
   54    H5     U   5           H5         U   5  -2.939  -0.909  -4.143
   55    H6     U   5           H6         U   5  -5.321  -1.073  -4.010
   56   1H5*    U   6          1H5*        U   6 -10.072   2.322  -0.519
   57   2H5*    U   6          2H5*        U   6 -10.261   4.079  -0.629
   58    H4*    U   6           H4*        U   6  -9.340   3.244   1.576
   59    H3*    U   6           H3*        U   6  -7.667   5.148  -0.086
   60    H2*    U   6           H2*        U   6  -6.136   5.206   1.775
   61   2HO*    U   6          2HO*        U   6  -8.008   5.217   3.270
   62    H1*    U   6           H1*        U   6  -6.320   2.491   2.333
   63    H3     U   6           H3         U   6  -2.023   2.793   0.910
   64    H5     U   6           H5         U   6  -4.290   3.247  -2.609
   65    H6     U   6           H6         U   6  -6.284   3.362  -1.261
   66   1H5*    C   7          1H5*        C   7  -8.239   6.906   3.991
   67   2H5*    C   7          2H5*        C   7  -8.222   8.676   3.867
   68    H4*    C   7           H4*        C   7  -6.392   7.708   5.327
   69    H3*    C   7           H3*        C   7  -5.670   9.361   2.905
   70    H2*    C   7           H2*        C   7  -3.354   9.083   3.457
   71   2HO*    C   7          2HO*        C   7  -4.186   9.312   5.816
   72    H1*    C   7           H1*        C   7  -3.578   6.451   4.369
   73   1H4     C   7          1H4         C   7  -1.059   5.909  -1.442
   74   2H4     C   7          2H4         C   7  -2.498   6.540  -2.234
   75    H5     C   7           H5         C   7  -4.488   7.301  -0.927
   76    H6     C   7           H6         C   7  -5.345   7.632   1.285
   77   1H5*    G   8          1H5*        G   8  -2.957  11.043   5.366
   78   2H5*    G   8          2H5*        G   8  -3.197  12.800   5.393
   79    H4*    G   8           H4*        G   8  -0.947  12.239   4.568
   80    H3*    G   8           H3*        G   8  -2.904  13.489   2.627
   81    H2*    G   8           H2*        G   8  -1.275  13.465   0.933
   82   2HO*    G   8          2HO*        G   8   0.372  14.277   2.399
   83    H1*    G   8           H1*        G   8  -0.080  11.048   1.608
   84    H8     G   8           H8         G   8  -3.929  10.918   1.658
   85    H1     G   8           H1         G   8  -1.188   9.352  -3.942
   86   1H2     G   8          1H2         G   8   1.057   9.931  -3.876
   87   2H2     G   8          2H2         G   8   1.705  10.732  -2.461
   88   1H5*    U   9          1H5*        U   9   0.421  18.052   3.030
   89   2H5*    U   9          2H5*        U   9   0.573  17.379   1.394
   90    H4*    U   9           H4*        U   9   2.777  17.955   2.189
   91    H3*    U   9           H3*        U   9   2.200  15.307   1.397
   92    H2*    U   9           H2*        U   9   2.225  14.320   3.492
   93   2HO*    U   9          2HO*        U   9   4.770  14.524   2.431
   94    H1*    U   9           H1*        U   9   4.431  16.181   4.328
   95    H3     U   9           H3         U   9   4.092  14.850   8.711
   96    H5     U   9           H5         U   9   0.207  14.206   7.209
   97    H6     U   9           H6         U   9   0.955  15.081   5.064
   98   1H5*    U  10          1H5*        U  10   3.720  13.517   0.225
   99   2H5*    U  10          2H5*        U  10   5.171  14.020  -0.648
  100    H4*    U  10           H4*        U  10   4.155  12.203  -1.908
  101    H3*    U  10           H3*        U  10   4.704  14.586  -3.113
  102    H2*    U  10           H2*        U  10   2.467  15.452  -2.912
  103   2HO*    U  10          2HO*        U  10   1.414  15.167  -4.954
  104    H1*    U  10           H1*        U  10   1.485  12.700  -3.704
  105    H3     U  10           H3         U  10  -2.910  13.810  -3.351
  106    H5     U  10           H5         U  10  -1.114  16.076  -0.293
  107    H6     U  10           H6         U  10   1.031  15.169  -0.939
  108   1H5*    A  11          1H5*        A  11   6.111   9.430  -3.765
  109   2H5*    A  11          2H5*        A  11   5.020  10.625  -3.092
  110    H4*    A  11           H4*        A  11   7.794  11.442  -3.140
  111    H3*    A  11           H3*        A  11   6.857   9.132  -1.419
  112    H2*    A  11           H2*        A  11   8.192  10.023   0.394
  113   2HO*    A  11          2HO*        A  11   9.772  10.690  -1.420
  114    H1*    A  11           H1*        A  11   7.462  12.609   0.011
  115    H8     A  11           H8         A  11   6.842  12.174   2.393
  116   1H6     A  11          1H6         A  11   1.253   9.598   2.932
  117   2H6     A  11          2H6         A  11   2.564  10.426   3.764
  118    H2     A  11           H2         A  11   2.574   9.119  -1.301
  119   1H5*    G  12          1H5*        G  12   9.642   8.216  -0.077
  120   2H5*    G  12          2H5*        G  12   9.940   6.478   0.106
  121    H4*    G  12           H4*        G  12   8.770   7.701   2.056
  122    H3*    G  12           H3*        G  12   7.457   5.279   0.795
  123    H2*    G  12           H2*        G  12   5.849   5.463   2.613
  124   2HO*    G  12          2HO*        G  12   7.581   6.122   4.117
  125    H1*    G  12           H1*        G  12   5.502   8.143   2.333
  126    H8     G  12           H8         G  12   5.991   6.800  -1.196
  127    H1     G  12           H1         G  12   0.057   6.046   1.145
  128   1H2     G  12          1H2         G  12   0.085   6.422   3.400
  129   2H2     G  12          2H2         G  12   1.570   6.879   4.221
  130   1H5*    A  13          1H5*        A  13   7.831   4.582   5.148
  131   2H5*    A  13          2H5*        A  13   7.966   2.845   5.468
  132    H4*    A  13           H4*        A  13   5.976   3.976   6.546
  133    H3*    A  13           H3*        A  13   5.447   1.719   4.622
  134    H2*    A  13           H2*        A  13   3.119   1.952   5.303
  135   2HO*    A  13          2HO*        A  13   3.518   2.374   7.507
  136    H1*    A  13           H1*        A  13   3.074   4.661   5.074
  137    H8     A  13           H8         A  13   5.271   3.494   2.210
  138   1H6     A  13          1H6         A  13  -0.050   2.548  -0.837
  139   2H6     A  13          2H6         A  13   1.704   2.609  -0.954
  140    H2     A  13           H2         A  13  -1.037   3.215   3.470
  141   1H5*    A  14          1H5*        A  14   3.613   1.085   8.659
  142   2H5*    A  14          2H5*        A  14   3.466  -0.642   9.029
  143    H4*    A  14           H4*        A  14   1.281   0.673   9.030
  144    H3*    A  14           H3*        A  14   1.638  -1.729   7.227
  145    H2*    A  14           H2*        A  14  -0.668  -1.446   6.563
  146   2HO*    A  14          2HO*        A  14  -1.142  -0.809   8.865
  147    H1*    A  14           H1*        A  14  -0.553   1.280   6.294
  148    H8     A  14           H8         A  14   2.728  -0.121   4.930
  149   1H6     A  14          1H6         A  14  -0.302  -0.719  -0.433
  150   2H6     A  14          2H6         A  14   1.245  -0.810   0.395
  151    H2     A  14           H2         A  14  -3.322   0.211   2.758
  152   1H5*    C  15          1H5*        C  15  -2.108  -2.313   9.452
  153   2H5*    C  15          2H5*        C  15  -2.329  -4.039   9.788
  154    H4*    C  15           H4*        C  15  -4.165  -3.054   8.401
  155    H3*    C  15           H3*        C  15  -2.483  -5.195   7.083
  156    H2*    C  15           H2*        C  15  -4.146  -5.111   5.305
  157   2HO*    C  15          2HO*        C  15  -5.834  -4.749   6.999
  158    H1*    C  15           H1*        C  15  -4.215  -2.367   5.230
  159   1H4     C  15          1H4         C  15   0.078  -3.806   0.748
  160   2H4     C  15          2H4         C  15   1.309  -4.129   1.951
  161    H5     C  15           H5         C  15   0.833  -4.098   4.394
  162    H6     C  15           H6         C  15  -0.871  -3.746   6.037
  163   1H5*    G  16          1H5*        G  16  -6.658  -6.509   6.929
  164   2H5*    G  16          2H5*        G  16  -6.707  -8.273   7.104
  165    H4*    G  16           H4*        G  16  -7.767  -7.474   4.994
  166    H3*    G  16           H3*        G  16  -5.275  -9.188   4.734
  167    H2*    G  16           H2*        G  16  -5.689  -9.155   2.361
  168   2HO*    G  16          2HO*        G  16  -8.082  -9.271   2.923
  169    H1*    G  16           H1*        G  16  -6.382  -6.533   2.220
  170    H8     G  16           H8         G  16  -3.354  -6.843   4.545
  171    H1     G  16           H1         G  16  -1.865  -7.181  -1.707
  172   1H2     G  16          1H2         G  16  -3.751  -7.710  -2.887
  173   2H2     G  16          2H2         G  16  -5.326  -7.730  -2.102
  174   1H5*    U  17          1H5*        U  17  -8.051 -10.976   2.048
  175   2H5*    U  17          2H5*        U  17  -7.908 -12.723   2.099
  176    H4*    U  17           H4*        U  17  -7.429 -11.812  -0.156
  177    H3*    U  17           H3*        U  17  -5.038 -13.097   1.215
  178    H2*    U  17           H2*        U  17  -3.802 -12.667  -0.791
  179   2HO*    U  17          2HO*        U  17  -5.766 -13.235  -2.058
  180    H1*    U  17           H1*        U  17  -4.741 -10.137  -1.158
  181    H3     U  17           H3         U  17  -0.296  -9.904  -0.025
  182    H5     U  17           H5         U  17  -2.298 -10.426   3.634
  183    H6     U  17           H6         U  17  -4.334 -10.807   2.433
  184   1H5*    C  18          1H5*        C  18  -7.336 -16.069  -1.804
  185   2H5*    C  18          2H5*        C  18  -7.101 -17.795  -1.489
  186    H4*    C  18           H4*        C  18  -5.689 -17.047  -3.354
  187    H3*    C  18           H3*        C  18  -4.168 -17.789  -0.827
  188    H2*    C  18           H2*        C  18  -2.166 -17.512  -2.079
  189   2HO*    C  18          2HO*        C  18  -3.502 -18.578  -3.891
  190    H1*    C  18           H1*        C  18  -3.114 -15.331  -3.585
  191   1H4     C  18          1H4         C  18   0.832 -12.814   0.729
  192   2H4     C  18          2H4         C  18  -0.319 -13.026   2.034
  193    H5     C  18           H5         C  18  -2.484 -14.261   1.684
  194    H6     C  18           H6         C  18  -3.840 -15.388   0.047
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   9.421 -12.414  -2.524
    2   2H5*    G   1          2H5*        G   1  10.375 -13.889  -2.772
    3    H4*    G   1           H4*        G   1   9.405 -13.972  -5.149
    4    H3*    G   1           H3*        G   1   7.678 -11.778  -3.977
    5    H2*    G   1           H2*        G   1   5.849 -12.687  -5.230
    6   2HO*    G   1          2HO*        G   1   7.395 -13.187  -7.037
    7    H1*    G   1           H1*        G   1   6.313 -15.275  -4.557
    8    H8     G   1           H8         G   1   7.262 -13.033  -1.645
    9    H1     G   1           H1         G   1   0.941 -14.113  -2.066
   10   1H2     G   1          1H2         G   1   0.454 -14.922  -4.136
   11   2H2     G   1          2H2         G   1   1.724 -15.265  -5.301
   12    H5T    G   1           HB         G   1  11.421 -11.792  -3.238
   13   1H5*    G   2          1H5*        G   2   6.816 -11.731  -8.247
   14   2H5*    G   2          2H5*        G   2   6.434 -10.077  -8.757
   15    H4*    G   2           H4*        G   2   4.581 -11.740  -9.130
   16    H3*    G   2           H3*        G   2   4.024  -9.398  -7.308
   17    H2*    G   2           H2*        G   2   1.724 -10.207  -7.258
   18   2HO*    G   2          2HO*        G   2   2.037 -10.894  -9.587
   19    H1*    G   2           H1*        G   2   2.396 -12.784  -6.791
   20    H8     G   2           H8         G   2   4.972 -10.798  -4.841
   21    H1     G   2           H1         G   2  -0.852 -10.939  -2.127
   22   1H2     G   2          1H2         G   2  -2.383 -11.559  -3.648
   23   2H2     G   2          2H2         G   2  -1.908 -12.062  -5.262
   24   1H5*    C   3          1H5*        C   3   0.671  -9.461  -9.965
   25   2H5*    C   3          2H5*        C   3   0.299  -7.805 -10.473
   26    H4*    C   3           H4*        C   3  -1.620  -8.938  -9.364
   27    H3*    C   3           H3*        C   3  -0.453  -6.517  -7.965
   28    H2*    C   3           H2*        C   3  -2.331  -6.679  -6.445
   29   2HO*    C   3          2HO*        C   3  -3.747  -7.330  -8.251
   30    H1*    C   3           H1*        C   3  -2.133  -9.403  -6.142
   31   1H4     C   3          1H4         C   3   1.075  -7.092  -1.203
   32   2H4     C   3          2H4         C   3   2.586  -7.223  -2.086
   33    H5     C   3           H5         C   3   2.641  -7.800  -4.547
   34    H6     C   3           H6         C   3   1.294  -8.321  -6.426
   35   1H5*    G   4          1H5*        G   4  -4.862  -5.975  -8.628
   36   2H5*    G   4          2H5*        G   4  -5.161  -4.264  -8.976
   37    H4*    G   4           H4*        G   4  -6.527  -5.168  -7.069
   38    H3*    G   4           H3*        G   4  -4.601  -2.911  -6.496
   39    H2*    G   4           H2*        G   4  -5.604  -2.859  -4.303
   40   2HO*    G   4          2HO*        G   4  -7.754  -3.304  -5.292
   41    H1*    G   4           H1*        G   4  -5.614  -5.549  -3.939
   42    H8     G   4           H8         G   4  -2.422  -4.545  -5.720
   43    H1     G   4           H1         G   4  -2.274  -3.684   0.655
   44   1H2     G   4          1H2         G   4  -4.410  -3.694   1.461
   45   2H2     G   4          2H2         G   4  -5.769  -4.005   0.394
   46   1H5*    U   5          1H5*        U   5  -8.698  -1.699  -5.279
   47   2H5*    U   5          2H5*        U   5  -8.894   0.053  -5.465
   48    H4*    U   5           H4*        U   5  -9.245  -0.803  -3.116
   49    H3*    U   5           H3*        U   5  -7.025   1.201  -3.601
   50    H2*    U   5           H2*        U   5  -6.748   1.244  -1.198
   51   2HO*    U   5          2HO*        U   5  -9.122   1.075  -0.931
   52    H1*    U   5           H1*        U   5  -6.937  -1.478  -0.881
   53    H3     U   5           H3         U   5  -2.586  -0.511   0.035
   54    H5     U   5           H5         U   5  -2.791  -0.872  -4.158
   55    H6     U   5           H6         U   5  -5.169  -0.848  -4.007
   56   1H5*    U   6          1H5*        U   6  -9.717   2.783  -0.383
   57   2H5*    U   6          2H5*        U   6  -9.662   4.554  -0.383
   58    H4*    U   6           H4*        U   6  -8.898   3.417   1.760
   59    H3*    U   6           H3*        U   6  -6.980   5.301   0.349
   60    H2*    U   6           H2*        U   6  -5.446   4.924   2.139
   61   2HO*    U   6          2HO*        U   6  -7.295   5.012   3.661
   62    H1*    U   6           H1*        U   6  -5.911   2.237   2.396
   63    H3     U   6           H3         U   6  -1.650   2.396   0.845
   64    H5     U   6           H5         U   6  -3.997   3.359  -2.522
   65    H6     U   6           H6         U   6  -5.916   3.480  -1.089
   66   1H5*    C   7          1H5*        C   7  -8.739   7.581   3.926
   67   2H5*    C   7          2H5*        C   7  -8.590   9.339   3.773
   68    H4*    C   7           H4*        C   7  -6.826   8.267   5.219
   69    H3*    C   7           H3*        C   7  -5.989   9.778   2.736
   70    H2*    C   7           H2*        C   7  -3.719   9.442   3.408
   71   2HO*    C   7          2HO*        C   7  -4.621   9.837   5.708
   72    H1*    C   7           H1*        C   7  -4.121   6.860   4.430
   73   1H4     C   7          1H4         C   7  -1.165   6.103  -1.160
   74   2H4     C   7          2H4         C   7  -2.627   6.462  -2.068
   75    H5     C   7           H5         C   7  -4.756   7.130  -0.929
   76    H6     C   7           H6         C   7  -5.765   7.571   1.207
   77   1H5*    G   8          1H5*        G   8  -3.411  11.584   5.148
   78   2H5*    G   8          2H5*        G   8  -3.562  13.346   4.994
   79    H4*    G   8           H4*        G   8  -1.311  12.624   4.281
   80    H3*    G   8           H3*        G   8  -3.133  13.604   2.071
   81    H2*    G   8           H2*        G   8  -1.285  13.446   0.593
   82   2HO*    G   8          2HO*        G   8   0.793  13.080   1.264
   83    H1*    G   8           H1*        G   8  -0.394  11.012   1.588
   84    H8     G   8           H8         G   8  -4.220  11.085   1.344
   85    H1     G   8           H1         G   8  -1.187   9.627  -4.138
   86   1H2     G   8          1H2         G   8   1.083   9.999  -3.869
   87   2H2     G   8          2H2         G   8   1.692  10.662  -2.370
   88   1H5*    U   9          1H5*        U   9   0.002  18.364   2.518
   89   2H5*    U   9          2H5*        U   9   0.326  17.680   0.908
   90    H4*    U   9           H4*        U   9   2.444  18.281   1.914
   91    H3*    U   9           H3*        U   9   1.920  15.638   1.069
   92    H2*    U   9           H2*        U   9   1.754  14.692   3.128
   93   2HO*    U   9          2HO*        U   9   3.647  13.610   3.543
   94    H1*    U   9           H1*        U   9   3.900  16.507   4.182
   95    H3     U   9           H3         U   9   3.218  14.868   8.430
   96    H5     U   9           H5         U   9  -0.588  14.543   6.647
   97    H6     U   9           H6         U   9   0.348  15.485   4.611
   98   1H5*    U  10          1H5*        U  10   3.589  13.866   0.213
   99   2H5*    U  10          2H5*        U  10   5.070  14.263  -0.665
  100    H4*    U  10           H4*        U  10   4.010  12.285  -1.691
  101    H3*    U  10           H3*        U  10   4.859  14.401  -3.149
  102    H2*    U  10           H2*        U  10   2.677  15.480  -3.302
  103   2HO*    U  10          2HO*        U  10   3.237  13.796  -5.453
  104    H1*    U  10           H1*        U  10   1.548  12.702  -3.770
  105    H3     U  10           H3         U  10  -2.722  14.190  -4.130
  106    H5     U  10           H5         U  10  -1.103  16.684  -1.152
  107    H6     U  10           H6         U  10   1.013  15.548  -1.404
  108   1H5*    A  11          1H5*        A  11   6.053   9.325  -3.139
  109   2H5*    A  11          2H5*        A  11   4.958  10.617  -2.721
  110    H4*    A  11           H4*        A  11   7.693  11.538  -2.857
  111    H3*    A  11           H3*        A  11   6.956   9.360  -0.906
  112    H2*    A  11           H2*        A  11   8.255  10.488   0.773
  113   2HO*    A  11          2HO*        A  11   9.955  11.173  -0.745
  114    H1*    A  11           H1*        A  11   7.292  12.938   0.180
  115    H8     A  11           H8         A  11   6.823  12.550   2.632
  116   1H6     A  11          1H6         A  11   1.237  10.017   3.432
  117   2H6     A  11          2H6         A  11   2.584  10.832   4.218
  118    H2     A  11           H2         A  11   2.409   9.400  -0.811
  119   1H5*    G  12          1H5*        G  12   9.622   6.459   0.769
  120   2H5*    G  12          2H5*        G  12   8.278   6.905  -0.308
  121    H4*    G  12           H4*        G  12   8.530   8.117   2.473
  122    H3*    G  12           H3*        G  12   7.130   5.528   1.644
  123    H2*    G  12           H2*        G  12   5.411   6.062   3.215
  124   2HO*    G  12          2HO*        G  12   5.677   7.417   4.836
  125    H1*    G  12           H1*        G  12   5.206   8.658   2.472
  126    H8     G  12           H8         G  12   5.787   7.164  -0.849
  127    H1     G  12           H1         G  12  -0.135   6.094   1.417
  128   1H2     G  12          1H2         G  12  -0.164   6.492   3.663
  129   2H2     G  12          2H2         G  12   1.310   6.884   4.532
  130   1H5*    A  13          1H5*        A  13   7.985   1.576   3.905
  131   2H5*    A  13          2H5*        A  13   6.516   1.707   2.939
  132    H4*    A  13           H4*        A  13   7.220   3.146   5.513
  133    H3*    A  13           H3*        A  13   5.284   1.087   4.596
  134    H2*    A  13           H2*        A  13   3.322   2.103   5.400
  135   2HO*    A  13          2HO*        A  13   4.838   2.731   7.343
  136    H1*    A  13           H1*        A  13   3.837   4.694   4.824
  137    H8     A  13           H8         A  13   5.545   3.630   1.836
  138   1H6     A  13          1H6         A  13   0.116   2.471  -0.816
  139   2H6     A  13          2H6         A  13   1.850   2.654  -1.014
  140    H2     A  13           H2         A  13  -0.589   2.891   3.618
  141   1H5*    A  14          1H5*        A  14   3.817   1.178   8.449
  142   2H5*    A  14          2H5*        A  14   3.761  -0.469   9.107
  143    H4*    A  14           H4*        A  14   1.510   0.583   8.951
  144    H3*    A  14           H3*        A  14   2.030  -1.835   7.199
  145    H2*    A  14           H2*        A  14  -0.294  -1.720   6.558
  146   2HO*    A  14          2HO*        A  14  -0.843  -1.113   8.822
  147    H1*    A  14           H1*        A  14  -0.345   1.008   6.243
  148    H8     A  14           H8         A  14   2.996  -0.252   4.895
  149   1H6     A  14          1H6         A  14  -0.027  -0.951  -0.474
  150   2H6     A  14          2H6         A  14   1.536  -0.943   0.331
  151    H2     A  14           H2         A  14  -3.068  -0.256   2.740
  152   1H5*    C  15          1H5*        C  15  -1.624  -2.668   9.604
  153   2H5*    C  15          2H5*        C  15  -1.733  -4.411   9.908
  154    H4*    C  15           H4*        C  15  -3.686  -3.472   8.625
  155    H3*    C  15           H3*        C  15  -2.006  -5.555   7.220
  156    H2*    C  15           H2*        C  15  -3.740  -5.488   5.510
  157   2HO*    C  15          2HO*        C  15  -5.391  -5.206   7.224
  158    H1*    C  15           H1*        C  15  -3.884  -2.749   5.460
  159   1H4     C  15          1H4         C  15   0.249  -4.053   0.798
  160   2H4     C  15          2H4         C  15   1.545  -4.331   1.945
  161    H5     C  15           H5         C  15   1.171  -4.322   4.407
  162    H6     C  15           H6         C  15  -0.474  -4.033   6.119
  163   1H5*    G  16          1H5*        G  16  -6.231  -6.889   7.218
  164   2H5*    G  16          2H5*        G  16  -6.271  -8.661   7.292
  165    H4*    G  16           H4*        G  16  -7.416  -7.709   5.258
  166    H3*    G  16           H3*        G  16  -5.013  -9.500   4.887
  167    H2*    G  16           H2*        G  16  -5.363  -9.332   2.540
  168   2HO*    G  16          2HO*        G  16  -7.369  -9.351   1.934
  169    H1*    G  16           H1*        G  16  -6.041  -6.695   2.502
  170    H8     G  16           H8         G  16  -2.966  -7.233   4.724
  171    H1     G  16           H1         G  16  -1.688  -7.262  -1.584
  172   1H2     G  16          1H2         G  16  -3.640  -7.614  -2.727
  173   2H2     G  16          2H2         G  16  -5.188  -7.602  -1.894
  174   1H5*    U  17          1H5*        U  17  -8.062 -11.007   2.277
  175   2H5*    U  17          2H5*        U  17  -8.011 -12.755   2.182
  176    H4*    U  17           H4*        U  17  -7.610 -11.677  -0.030
  177    H3*    U  17           H3*        U  17  -5.262 -13.247   1.095
  178    H2*    U  17           H2*        U  17  -4.078 -12.740  -0.917
  179   2HO*    U  17          2HO*        U  17  -6.138 -13.040  -2.130
  180    H1*    U  17           H1*        U  17  -4.848 -10.126  -1.044
  181    H3     U  17           H3         U  17  -0.364 -10.132  -0.131
  182    H5     U  17           H5         U  17  -2.185 -10.948   3.566
  183    H6     U  17           H6         U  17  -4.286 -11.180   2.451
  184   1H5*    C  18          1H5*        C  18  -7.818 -15.822  -2.055
  185   2H5*    C  18          2H5*        C  18  -7.719 -17.576  -1.832
  186    H4*    C  18           H4*        C  18  -6.274 -16.845  -3.681
  187    H3*    C  18           H3*        C  18  -4.796 -17.841  -1.216
  188    H2*    C  18           H2*        C  18  -2.781 -17.639  -2.459
  189   2HO*    C  18          2HO*        C  18  -4.204 -18.499  -4.321
  190    H1*    C  18           H1*        C  18  -3.566 -15.319  -3.845
  191   1H4     C  18          1H4         C  18   0.512 -13.220   0.556
  192   2H4     C  18          2H4         C  18  -0.650 -13.423   1.854
  193    H5     C  18           H5         C  18  -2.872 -14.527   1.458
  194    H6     C  18           H6         C  18  -4.299 -15.490  -0.221
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  11.470 -10.916  -2.585
    2   2H5*    G   1          2H5*        G   1  10.989  -9.425  -3.419
    3    H4*    G   1           H4*        G   1  10.111 -11.401  -4.583
    4    H3*    G   1           H3*        G   1   8.002  -9.686  -3.270
    5    H2*    G   1           H2*        G   1   6.425 -11.077  -4.432
    6   2HO*    G   1          2HO*        G   1   7.896 -11.176  -6.337
    7    H1*    G   1           H1*        G   1   7.642 -13.432  -3.796
    8    H8     G   1           H8         G   1   7.982 -11.066  -0.882
    9    H1     G   1           H1         G   1   2.012 -13.350  -1.504
   10   1H2     G   1          1H2         G   1   1.774 -14.236  -3.600
   11   2H2     G   1          2H2         G   1   3.151 -14.360  -4.685
   12    H5T    G   1           HB         G   1  10.656  -9.167  -1.225
   13   1H5*    G   2          1H5*        G   2   7.134 -10.101  -7.539
   14   2H5*    G   2          2H5*        G   2   6.381  -8.623  -8.157
   15    H4*    G   2           H4*        G   2   5.037 -10.749  -8.483
   16    H3*    G   2           H3*        G   2   3.860  -8.418  -6.956
   17    H2*    G   2           H2*        G   2   1.791  -9.675  -6.889
   18   2HO*    G   2          2HO*        G   2   2.367 -10.447  -9.146
   19    H1*    G   2           H1*        G   2   2.956 -12.064  -6.254
   20    H8     G   2           H8         G   2   4.932  -9.686  -4.149
   21    H1     G   2           H1         G   2  -1.027 -10.714  -1.943
   22   1H2     G   2          1H2         G   2  -2.314 -11.522  -3.590
   23   2H2     G   2          2H2         G   2  -1.641 -11.914  -5.165
   24   1H5*    C   3          1H5*        C   3   0.847  -9.295  -9.863
   25   2H5*    C   3          2H5*        C   3   0.233  -7.773 -10.537
   26    H4*    C   3           H4*        C   3  -1.553  -9.098  -9.443
   27    H3*    C   3           H3*        C   3  -0.834  -6.466  -8.116
   28    H2*    C   3           H2*        C   3  -2.735  -6.846  -6.673
   29   2HO*    C   3          2HO*        C   3  -3.889  -7.799  -8.584
   30    H1*    C   3           H1*        C   3  -2.175  -9.504  -6.253
   31   1H4     C   3          1H4         C   3   0.467  -6.778  -1.204
   32   2H4     C   3          2H4         C   3   1.965  -6.503  -2.073
   33    H5     C   3           H5         C   3   2.165  -6.932  -4.539
   34    H6     C   3           H6         C   3   0.991  -7.698  -6.466
   35   1H5*    G   4          1H5*        G   4  -5.168  -6.360  -8.769
   36   2H5*    G   4          2H5*        G   4  -5.631  -4.694  -9.160
   37    H4*    G   4           H4*        G   4  -6.789  -5.589  -7.132
   38    H3*    G   4           H3*        G   4  -4.942  -3.235  -6.707
   39    H2*    G   4           H2*        G   4  -5.818  -3.217  -4.459
   40   2HO*    G   4          2HO*        G   4  -7.997  -3.790  -5.337
   41    H1*    G   4           H1*        G   4  -5.689  -5.909  -4.095
   42    H8     G   4           H8         G   4  -2.609  -4.762  -5.977
   43    H1     G   4           H1         G   4  -2.426  -3.613   0.351
   44   1H2     G   4          1H2         G   4  -4.573  -3.607   1.158
   45   2H2     G   4          2H2         G   4  -5.903  -4.095   0.125
   46   1H5*    U   5          1H5*        U   5  -9.003  -2.296  -5.173
   47   2H5*    U   5          2H5*        U   5  -9.333  -0.566  -5.364
   48    H4*    U   5           H4*        U   5  -9.489  -1.423  -2.991
   49    H3*    U   5           H3*        U   5  -7.478   0.753  -3.627
   50    H2*    U   5           H2*        U   5  -7.097   0.879  -1.236
   51   2HO*    U   5          2HO*        U   5  -9.445   0.476  -0.881
   52    H1*    U   5           H1*        U   5  -7.020  -1.842  -0.870
   53    H3     U   5           H3         U   5  -2.755  -0.421  -0.186
   54    H5     U   5           H5         U   5  -3.082  -1.108  -4.332
   55    H6     U   5           H6         U   5  -5.453  -1.247  -4.085
   56   1H5*    U   6          1H5*        U   6 -10.114   2.045  -0.273
   57   2H5*    U   6          2H5*        U   6 -10.332   3.801  -0.332
   58    H4*    U   6           H4*        U   6  -9.332   2.927   1.824
   59    H3*    U   6           H3*        U   6  -7.751   4.902   0.154
   60    H2*    U   6           H2*        U   6  -6.147   4.936   1.944
   61   2HO*    U   6          2HO*        U   6  -7.978   4.894   3.505
   62    H1*    U   6           H1*        U   6  -6.281   2.210   2.472
   63    H3     U   6           H3         U   6  -2.027   2.569   0.931
   64    H5     U   6           H5         U   6  -4.410   2.993  -2.517
   65    H6     U   6           H6         U   6  -6.359   3.118  -1.108
   66   1H5*    C   7          1H5*        C   7  -8.088   6.679   4.257
   67   2H5*    C   7          2H5*        C   7  -8.077   8.446   4.087
   68    H4*    C   7           H4*        C   7  -6.123   7.531   5.412
   69    H3*    C   7           H3*        C   7  -5.574   9.038   2.865
   70    H2*    C   7           H2*        C   7  -3.242   8.757   3.265
   71   2HO*    C   7          2HO*        C   7  -2.411   8.146   5.234
   72    H1*    C   7           H1*        C   7  -3.465   6.157   4.311
   73   1H4     C   7          1H4         C   7  -1.151   5.625  -1.584
   74   2H4     C   7          2H4         C   7  -2.611   6.278  -2.319
   75    H5     C   7           H5         C   7  -4.595   6.929  -0.954
   76    H6     C   7           H6         C   7  -5.388   7.242   1.290
   77   1H5*    G   8          1H5*        G   8  -2.746  10.818   5.296
   78   2H5*    G   8          2H5*        G   8  -2.963  12.579   5.229
   79    H4*    G   8           H4*        G   8  -0.686  11.958   4.468
   80    H3*    G   8           H3*        G   8  -2.598  13.098   2.421
   81    H2*    G   8           H2*        G   8  -0.903  13.020   0.791
   82   2HO*    G   8          2HO*        G   8   1.253  12.659   1.274
   83    H1*    G   8           H1*        G   8   0.187  10.595   1.619
   84    H8     G   8           H8         G   8  -3.659  10.519   1.548
   85    H1     G   8           H1         G   8  -0.751   8.741  -3.908
   86   1H2     G   8          1H2         G   8   1.501   9.269  -3.780
   87   2H2     G   8          2H2         G   8   2.137  10.080  -2.374
   88   1H5*    U   9          1H5*        U   9   0.486  17.865   2.836
   89   2H5*    U   9          2H5*        U   9   0.632  17.188   1.198
   90    H4*    U   9           H4*        U   9   2.846  17.815   1.906
   91    H3*    U   9           H3*        U   9   2.289  15.160   1.189
   92    H2*    U   9           H2*        U   9   2.299  14.227   3.294
   93   2HO*    U   9          2HO*        U   9   4.870  14.375   2.258
   94    H1*    U   9           H1*        U   9   4.546  16.042   4.104
   95    H3     U   9           H3         U   9   4.171  14.950   8.543
   96    H5     U   9           H5         U   9   0.331  14.108   7.024
   97    H6     U   9           H6         U   9   1.069  14.901   4.858
   98   1H5*    U  10          1H5*        U  10   3.802  13.404   0.281
   99   2H5*    U  10          2H5*        U  10   5.177  13.684  -0.792
  100    H4*    U  10           H4*        U  10   3.905  11.767  -1.632
  101    H3*    U  10           H3*        U  10   4.589  13.841  -3.217
  102    H2*    U  10           H2*        U  10   2.424  14.959  -3.099
  103   2HO*    U  10          2HO*        U  10   2.622  13.200  -5.259
  104    H1*    U  10           H1*        U  10   1.208  12.183  -3.311
  105    H3     U  10           H3         U  10  -3.071  13.659  -3.106
  106    H5     U  10           H5         U  10  -1.014  16.399  -0.664
  107    H6     U  10           H6         U  10   1.035  15.196  -1.112
  108   1H5*    A  11          1H5*        A  11   5.696   8.749  -3.277
  109   2H5*    A  11          2H5*        A  11   4.704  10.074  -2.726
  110    H4*    A  11           H4*        A  11   7.409  10.918  -3.290
  111    H3*    A  11           H3*        A  11   6.885   8.813  -1.205
  112    H2*    A  11           H2*        A  11   8.455   9.907   0.253
  113   2HO*    A  11          2HO*        A  11   9.942  10.509  -1.495
  114    H1*    A  11           H1*        A  11   7.479  12.373  -0.207
  115    H8     A  11           H8         A  11   7.375  12.035   2.235
  116   1H6     A  11          1H6         A  11   1.788   9.943   3.852
  117   2H6     A  11          2H6         A  11   3.277  10.695   4.416
  118    H2     A  11           H2         A  11   2.380   9.051  -0.464
  119   1H5*    G  12          1H5*        G  12   9.583   5.781   0.173
  120   2H5*    G  12          2H5*        G  12   8.161   6.282  -0.770
  121    H4*    G  12           H4*        G  12   8.770   7.498   1.954
  122    H3*    G  12           H3*        G  12   7.195   4.975   1.277
  123    H2*    G  12           H2*        G  12   5.499   5.623   2.808
  124   2HO*    G  12          2HO*        G  12   7.254   6.414   4.289
  125    H1*    G  12           H1*        G  12   5.371   8.197   2.098
  126    H8     G  12           H8         G  12   5.967   6.769  -1.272
  127    H1     G  12           H1         G  12   0.029   5.765   0.980
  128   1H2     G  12          1H2         G  12   0.055   6.031   3.265
  129   2H2     G  12          2H2         G  12   1.540   6.461   4.101
  130   1H5*    A  13          1H5*        A  13   8.013   1.101   3.598
  131   2H5*    A  13          2H5*        A  13   6.578   1.249   2.585
  132    H4*    A  13           H4*        A  13   7.235   2.726   5.154
  133    H3*    A  13           H3*        A  13   5.240   0.711   4.208
  134    H2*    A  13           H2*        A  13   3.340   1.800   5.087
  135   2HO*    A  13          2HO*        A  13   4.906   2.354   6.993
  136    H1*    A  13           H1*        A  13   3.957   4.364   4.477
  137    H8     A  13           H8         A  13   5.488   3.153   1.450
  138   1H6     A  13          1H6         A  13  -0.162   2.407  -0.957
  139   2H6     A  13          2H6         A  13   1.569   2.431  -1.265
  140    H2     A  13           H2         A  13  -0.620   2.961   3.466
  141   1H5*    A  14          1H5*        A  14   3.886   0.922   8.151
  142   2H5*    A  14          2H5*        A  14   3.657  -0.712   8.800
  143    H4*    A  14           H4*        A  14   1.542   0.615   8.683
  144    H3*    A  14           H3*        A  14   1.733  -1.881   6.976
  145    H2*    A  14           H2*        A  14  -0.571  -1.496   6.366
  146   2HO*    A  14          2HO*        A  14  -0.948  -0.739   8.649
  147    H1*    A  14           H1*        A  14  -0.300   1.199   5.967
  148    H8     A  14           H8         A  14   2.856  -0.474   4.625
  149   1H6     A  14          1H6         A  14  -0.292  -0.964  -0.690
  150   2H6     A  14          2H6         A  14   1.269  -1.112   0.105
  151    H2     A  14           H2         A  14  -3.203   0.108   2.551
  152   1H5*    C  15          1H5*        C  15  -2.000  -2.197   9.294
  153   2H5*    C  15          2H5*        C  15  -2.321  -3.902   9.656
  154    H4*    C  15           H4*        C  15  -4.117  -2.798   8.297
  155    H3*    C  15           H3*        C  15  -2.634  -5.088   6.978
  156    H2*    C  15           H2*        C  15  -4.323  -4.904   5.230
  157   2HO*    C  15          2HO*        C  15  -5.946  -4.368   6.941
  158    H1*    C  15           H1*        C  15  -4.158  -2.174   5.087
  159   1H4     C  15          1H4         C  15  -0.067  -4.038   0.590
  160   2H4     C  15          2H4         C  15   1.175  -4.361   1.782
  161    H5     C  15           H5         C  15   0.752  -4.217   4.230
  162    H6     C  15           H6         C  15  -0.898  -3.718   5.889
  163   1H5*    G  16          1H5*        G  16  -6.920  -6.033   6.857
  164   2H5*    G  16          2H5*        G  16  -7.133  -7.783   7.041
  165    H4*    G  16           H4*        G  16  -8.134  -6.861   4.935
  166    H3*    G  16           H3*        G  16  -5.905  -8.897   4.683
  167    H2*    G  16           H2*        G  16  -6.306  -8.832   2.302
  168   2HO*    G  16          2HO*        G  16  -8.698  -8.560   2.899
  169    H1*    G  16           H1*        G  16  -6.572  -6.130   2.130
  170    H8     G  16           H8         G  16  -3.701  -6.742   4.551
  171    H1     G  16           H1         G  16  -2.092  -7.456  -1.632
  172   1H2     G  16          1H2         G  16  -3.977  -7.924  -2.842
  173   2H2     G  16          2H2         G  16  -5.566  -7.835  -2.093
  174   1H5*    U  17          1H5*        U  17  -8.729 -10.320   1.908
  175   2H5*    U  17          2H5*        U  17  -8.875 -12.069   2.064
  176    H4*    U  17           H4*        U  17  -8.111 -11.438  -0.196
  177    H3*    U  17           H3*        U  17  -6.068 -12.880   1.519
  178    H2*    U  17           H2*        U  17  -4.659 -12.943  -0.428
  179   2HO*    U  17          2HO*        U  17  -6.541 -13.364  -1.818
  180    H1*    U  17           H1*        U  17  -5.181 -10.343  -1.179
  181    H3     U  17           H3         U  17  -0.819 -10.275   0.217
  182    H5     U  17           H5         U  17  -3.066 -10.316   3.769
  183    H6     U  17           H6         U  17  -5.054 -10.642   2.481
  184   1H5*    C  18          1H5*        C  18  -6.720 -15.139  -2.420
  185   2H5*    C  18          2H5*        C  18  -6.573 -16.862  -2.023
  186    H4*    C  18           H4*        C  18  -5.051 -16.187  -3.881
  187    H3*    C  18           H3*        C  18  -3.716 -17.043  -1.292
  188    H2*    C  18           H2*        C  18  -1.645 -16.960  -2.464
  189   2HO*    C  18          2HO*        C  18  -1.518 -16.703  -4.685
  190    H1*    C  18           H1*        C  18  -2.286 -14.595  -3.807
  191   1H4     C  18          1H4         C  18   1.303 -12.520   0.951
  192   2H4     C  18          2H4         C  18  -0.021 -12.596   2.093
  193    H5     C  18           H5         C  18  -2.194 -13.738   1.502
  194    H6     C  18           H6         C  18  -3.433 -14.737  -0.304
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   9.898 -11.626  -2.922
    2   2H5*    G   1          2H5*        G   1  11.001 -12.947  -3.354
    3    H4*    G   1           H4*        G   1   9.755 -13.077  -5.601
    4    H3*    G   1           H3*        G   1   7.869 -11.241  -4.124
    5    H2*    G   1           H2*        G   1   6.100 -12.385  -5.286
    6   2HO*    G   1          2HO*        G   1   7.582 -12.563  -7.227
    7    H1*    G   1           H1*        G   1   7.039 -14.884  -4.786
    8    H8     G   1           H8         G   1   7.874 -12.663  -1.851
    9    H1     G   1           H1         G   1   1.623 -14.099  -2.132
   10   1H2     G   1          1H2         G   1   1.147 -14.935  -4.208
   11   2H2     G   1          2H2         G   1   2.428 -15.233  -5.374
   12    H5T    G   1           HB         G   1  11.718 -10.735  -3.842
   13   1H5*    G   2          1H5*        G   2   6.652 -11.333  -8.265
   14   2H5*    G   2          2H5*        G   2   6.036  -9.755  -8.772
   15    H4*    G   2           H4*        G   2   4.422 -11.687  -9.045
   16    H3*    G   2           H3*        G   2   3.651  -9.311  -7.345
   17    H2*    G   2           H2*        G   2   1.458 -10.342  -7.162
   18   2HO*    G   2          2HO*        G   2   1.787 -11.101  -9.474
   19    H1*    G   2           H1*        G   2   2.396 -12.845  -6.650
   20    H8     G   2           H8         G   2   4.844 -10.830  -4.687
   21    H1     G   2           H1         G   2  -1.035 -11.035  -2.047
   22   1H2     G   2          1H2         G   2  -2.523 -11.707  -3.569
   23   2H2     G   2          2H2         G   2  -2.026 -12.185  -5.186
   24   1H5*    C   3          1H5*        C   3   0.309  -9.797  -9.986
   25   2H5*    C   3          2H5*        C   3  -0.167  -8.201 -10.596
   26    H4*    C   3           H4*        C   3  -2.024  -9.339  -9.412
   27    H3*    C   3           H3*        C   3  -0.923  -6.836  -8.100
   28    H2*    C   3           H2*        C   3  -2.765  -7.011  -6.551
   29   2HO*    C   3          2HO*        C   3  -4.196  -7.724  -8.318
   30    H1*    C   3           H1*        C   3  -2.505  -9.731  -6.206
   31   1H4     C   3          1H4         C   3   0.615  -7.259  -1.289
   32   2H4     C   3          2H4         C   3   2.114  -7.201  -2.201
   33    H5     C   3           H5         C   3   2.186  -7.756  -4.659
   34    H6     C   3           H6         C   3   0.860  -8.395  -6.534
   35   1H5*    G   4          1H5*        G   4  -5.340  -6.282  -8.680
   36   2H5*    G   4          2H5*        G   4  -5.598  -4.574  -9.076
   37    H4*    G   4           H4*        G   4  -6.921  -5.324  -7.097
   38    H3*    G   4           H3*        G   4  -4.826  -3.206  -6.595
   39    H2*    G   4           H2*        G   4  -5.785  -3.083  -4.375
   40   2HO*    G   4          2HO*        G   4  -7.971  -3.410  -5.353
   41    H1*    G   4           H1*        G   4  -5.954  -5.770  -4.012
   42    H8     G   4           H8         G   4  -2.738  -4.934  -5.867
   43    H1     G   4           H1         G   4  -2.445  -4.030   0.495
   44   1H2     G   4          1H2         G   4  -4.572  -3.888   1.328
   45   2H2     G   4          2H2         G   4  -5.954  -4.171   0.284
   46   1H5*    U   5          1H5*        U   5  -8.796  -1.751  -5.211
   47   2H5*    U   5          2H5*        U   5  -8.883   0.004  -5.436
   48    H4*    U   5           H4*        U   5  -9.245  -0.751  -3.065
   49    H3*    U   5           H3*        U   5  -6.871   1.046  -3.637
   50    H2*    U   5           H2*        U   5  -6.579   1.145  -1.243
   51   2HO*    U   5          2HO*        U   5  -8.958   1.196  -0.962
   52    H1*    U   5           H1*        U   5  -7.006  -1.541  -0.834
   53    H3     U   5           H3         U   5  -2.591  -0.762   0.076
   54    H5     U   5           H5         U   5  -2.797  -1.309  -4.098
   55    H6     U   5           H6         U   5  -5.182  -1.188  -3.964
   56   1H5*    U   6          1H5*        U   6  -9.370   2.989  -0.478
   57   2H5*    U   6          2H5*        U   6  -9.174   4.749  -0.551
   58    H4*    U   6           H4*        U   6  -8.446   3.627   1.631
   59    H3*    U   6           H3*        U   6  -6.459   5.323   0.088
   60    H2*    U   6           H2*        U   6  -4.840   4.853   1.750
   61   2HO*    U   6          2HO*        U   6  -6.479   5.184   3.435
   62    H1*    U   6           H1*        U   6  -5.566   2.229   2.207
   63    H3     U   6           H3         U   6  -1.284   2.173   0.693
   64    H5     U   6           H5         U   6  -3.561   2.973  -2.756
   65    H6     U   6           H6         U   6  -5.509   3.186  -1.362
   66   1H5*    C   7          1H5*        C   7  -8.424   7.594   3.814
   67   2H5*    C   7          2H5*        C   7  -8.309   9.358   3.759
   68    H4*    C   7           H4*        C   7  -6.549   8.328   5.181
   69    H3*    C   7           H3*        C   7  -5.669   9.839   2.715
   70    H2*    C   7           H2*        C   7  -3.406   9.490   3.397
   71   2HO*    C   7          2HO*        C   7  -4.318   9.911   5.690
   72    H1*    C   7           H1*        C   7  -3.824   6.923   4.466
   73   1H4     C   7          1H4         C   7  -0.788   6.038  -1.052
   74   2H4     C   7          2H4         C   7  -2.229   6.394  -1.999
   75    H5     C   7           H5         C   7  -4.369   7.113  -0.906
   76    H6     C   7           H6         C   7  -5.403   7.602   1.205
   77   1H5*    G   8          1H5*        G   8  -2.971  11.615   4.995
   78   2H5*    G   8          2H5*        G   8  -3.206  13.373   4.901
   79    H4*    G   8           H4*        G   8  -0.977  12.768   4.052
   80    H3*    G   8           H3*        G   8  -2.999  13.763   2.034
   81    H2*    G   8           H2*        G   8  -1.422  13.668   0.328
   82   2HO*    G   8          2HO*        G   8   0.618  13.276   2.263
   83    H1*    G   8           H1*        G   8  -0.120  11.353   1.297
   84    H8     G   8           H8         G   8  -3.940  10.997   1.203
   85    H1     G   8           H1         G   8  -0.908   9.464  -4.265
   86   1H2     G   8          1H2         G   8   1.314  10.175  -4.114
   87   2H2     G   8          2H2         G   8   1.854  11.008  -2.671
   88   1H5*    U   9          1H5*        U   9   0.143  17.763   3.585
   89   2H5*    U   9          2H5*        U   9   0.432  18.527   2.024
   90    H4*    U   9           H4*        U   9   2.618  18.070   2.249
   91    H3*    U   9           H3*        U   9   1.867  15.627   1.305
   92    H2*    U   9           H2*        U   9   1.139  14.773   3.345
   93   2HO*    U   9          2HO*        U   9   3.768  13.993   2.818
   94    H1*    U   9           H1*        U   9   3.669  15.711   4.663
   95    H3     U   9           H3         U   9   2.128  14.831   8.896
   96    H5     U   9           H5         U   9  -1.408  15.102   6.618
   97    H6     U   9           H6         U   9  -0.048  15.653   4.681
   98   1H5*    U  10          1H5*        U  10   3.398  13.602   0.342
   99   2H5*    U  10          2H5*        U  10   5.009  13.883  -0.313
  100    H4*    U  10           H4*        U  10   3.974  12.300  -1.785
  101    H3*    U  10           H3*        U  10   4.867  14.658  -2.873
  102    H2*    U  10           H2*        U  10   2.722  15.728  -2.891
  103   2HO*    U  10          2HO*        U  10   3.306  14.372  -5.257
  104    H1*    U  10           H1*        U  10   1.566  13.067  -3.793
  105    H3     U  10           H3         U  10  -2.651  14.708  -4.037
  106    H5     U  10           H5         U  10  -0.953  16.950  -0.906
  107    H6     U  10           H6         U  10   1.078  15.657  -1.139
  108   1H5*    A  11          1H5*        A  11   6.188   9.600  -3.464
  109   2H5*    A  11          2H5*        A  11   5.056  10.801  -2.888
  110    H4*    A  11           H4*        A  11   7.801  11.713  -2.844
  111    H3*    A  11           H3*        A  11   6.904   9.420  -1.079
  112    H2*    A  11           H2*        A  11   8.237  10.405   0.688
  113   2HO*    A  11          2HO*        A  11   9.582  12.161   0.312
  114    H1*    A  11           H1*        A  11   7.301  12.927   0.240
  115    H8     A  11           H8         A  11   6.809  12.308   2.710
  116   1H6     A  11          1H6         A  11   1.113   9.938   3.092
  117   2H6     A  11          2H6         A  11   2.414  10.766   3.944
  118    H2     A  11           H2         A  11   2.530   9.369  -1.095
  119   1H5*    G  12          1H5*        G  12   9.679   8.701   0.359
  120   2H5*    G  12          2H5*        G  12  10.073   6.996   0.628
  121    H4*    G  12           H4*        G  12   8.877   8.224   2.544
  122    H3*    G  12           H3*        G  12   7.684   5.700   1.364
  123    H2*    G  12           H2*        G  12   6.040   5.837   3.135
  124   2HO*    G  12          2HO*        G  12   7.782   6.635   4.613
  125    H1*    G  12           H1*        G  12   5.570   8.507   2.840
  126    H8     G  12           H8         G  12   6.124   7.087  -0.655
  127    H1     G  12           H1         G  12   0.180   6.234   1.616
  128   1H2     G  12          1H2         G  12   0.138   6.738   3.841
  129   2H2     G  12          2H2         G  12   1.603   7.214   4.691
  130   1H5*    A  13          1H5*        A  13   7.912   4.992   5.683
  131   2H5*    A  13          2H5*        A  13   8.197   3.264   5.967
  132    H4*    A  13           H4*        A  13   6.042   4.097   6.946
  133    H3*    A  13           H3*        A  13   5.819   2.009   4.781
  134    H2*    A  13           H2*        A  13   3.449   1.994   5.325
  135   2HO*    A  13          2HO*        A  13   3.231   2.237   7.436
  136    H1*    A  13           H1*        A  13   3.205   4.699   5.323
  137    H8     A  13           H8         A  13   5.679   3.794   2.557
  138   1H6     A  13          1H6         A  13   0.682   2.397  -0.852
  139   2H6     A  13          2H6         A  13   2.426   2.627  -0.847
  140    H2     A  13           H2         A  13  -0.661   3.050   3.364
  141   1H5*    A  14          1H5*        A  14   3.924   0.941   8.675
  142   2H5*    A  14          2H5*        A  14   3.846  -0.811   8.936
  143    H4*    A  14           H4*        A  14   1.614   0.436   9.017
  144    H3*    A  14           H3*        A  14   2.032  -1.865   7.100
  145    H2*    A  14           H2*        A  14  -0.298  -1.620   6.483
  146   2HO*    A  14          2HO*        A  14  -0.824  -1.116   8.771
  147    H1*    A  14           H1*        A  14  -0.241   1.106   6.295
  148    H8     A  14           H8         A  14   3.081   0.000   4.849
  149   1H6     A  14          1H6         A  14  -0.029  -1.009  -0.421
  150   2H6     A  14          2H6         A  14   1.551  -0.879   0.342
  151    H2     A  14           H2         A  14  -3.023  -0.383   2.844
  152   1H5*    C  15          1H5*        C  15  -1.656  -2.568   9.438
  153   2H5*    C  15          2H5*        C  15  -1.874  -4.301   9.729
  154    H4*    C  15           H4*        C  15  -3.765  -3.212   8.469
  155    H3*    C  15           H3*        C  15  -2.236  -5.420   7.067
  156    H2*    C  15           H2*        C  15  -3.984  -5.271   5.376
  157   2HO*    C  15          2HO*        C  15  -5.583  -4.838   7.122
  158    H1*    C  15           H1*        C  15  -3.937  -2.535   5.273
  159   1H4     C  15          1H4         C  15   0.023  -4.332   0.615
  160   2H4     C  15          2H4         C  15   1.350  -4.476   1.749
  161    H5     C  15           H5         C  15   1.045  -4.221   4.202
  162    H6     C  15           H6         C  15  -0.553  -3.789   5.925
  163   1H5*    G  16          1H5*        G  16  -6.498  -6.452   7.135
  164   2H5*    G  16          2H5*        G  16  -6.691  -8.209   7.268
  165    H4*    G  16           H4*        G  16  -7.777  -7.202   5.232
  166    H3*    G  16           H3*        G  16  -5.598  -9.265   4.856
  167    H2*    G  16           H2*        G  16  -6.075  -9.143   2.489
  168   2HO*    G  16          2HO*        G  16  -8.445  -8.835   3.194
  169    H1*    G  16           H1*        G  16  -6.322  -6.429   2.387
  170    H8     G  16           H8         G  16  -3.354  -7.105   4.666
  171    H1     G  16           H1         G  16  -2.039  -7.738  -1.599
  172   1H2     G  16          1H2         G  16  -4.001  -8.083  -2.737
  173   2H2     G  16          2H2         G  16  -5.548  -7.964  -1.908
  174   1H5*    U  17          1H5*        U  17  -8.538 -10.576   2.163
  175   2H5*    U  17          2H5*        U  17  -8.755 -12.315   2.360
  176    H4*    U  17           H4*        U  17  -8.036 -11.799   0.063
  177    H3*    U  17           H3*        U  17  -5.995 -13.217   1.796
  178    H2*    U  17           H2*        U  17  -4.583 -13.367  -0.099
  179   2HO*    U  17          2HO*        U  17  -6.251 -13.986  -1.556
  180    H1*    U  17           H1*        U  17  -5.182 -10.828  -1.083
  181    H3     U  17           H3         U  17  -0.740 -10.645   0.057
  182    H5     U  17           H5         U  17  -2.759 -10.650   3.743
  183    H6     U  17           H6         U  17  -4.832 -10.965   2.584
  184   1H5*    C  18          1H5*        C  18  -7.092 -15.677  -2.085
  185   2H5*    C  18          2H5*        C  18  -6.975 -17.371  -1.561
  186    H4*    C  18           H4*        C  18  -5.636 -16.938  -3.621
  187    H3*    C  18           H3*        C  18  -4.132 -17.696  -1.092
  188    H2*    C  18           H2*        C  18  -2.116 -17.672  -2.340
  189   2HO*    C  18          2HO*        C  18  -3.557 -18.691  -4.104
  190    H1*    C  18           H1*        C  18  -2.802 -15.492  -3.957
  191   1H4     C  18          1H4         C  18   1.154 -13.001   0.349
  192   2H4     C  18          2H4         C  18  -0.024 -13.109   1.640
  193    H5     C  18           H5         C  18  -2.217 -14.308   1.305
  194    H6     C  18           H6         C  18  -3.598 -15.415  -0.322
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  11.976 -10.509  -3.518
    2   2H5*    G   1          2H5*        G   1  11.378  -8.980  -4.194
    3    H4*    G   1           H4*        G   1  10.193 -11.002  -5.094
    4    H3*    G   1           H3*        G   1   8.461  -9.107  -3.508
    5    H2*    G   1           H2*        G   1   6.658 -10.442  -4.400
    6   2HO*    G   1          2HO*        G   1   7.524 -10.669  -6.508
    7    H1*    G   1           H1*        G   1   7.958 -12.842  -3.971
    8    H8     G   1           H8         G   1   8.453 -10.573  -0.979
    9    H1     G   1           H1         G   1   2.460 -12.854  -1.431
   10   1H2     G   1          1H2         G   1   2.163 -13.744  -3.530
   11   2H2     G   1          2H2         G   1   3.505 -13.825  -4.660
   12    H5T    G   1           HB         G   1  10.602 -10.120  -1.714
   13   1H5*    G   2          1H5*        G   2   7.168  -9.578  -7.805
   14   2H5*    G   2          2H5*        G   2   6.369  -8.089  -8.333
   15    H4*    G   2           H4*        G   2   5.019 -10.224  -8.636
   16    H3*    G   2           H3*        G   2   3.905  -7.934  -7.012
   17    H2*    G   2           H2*        G   2   1.845  -9.215  -6.905
   18   2HO*    G   2          2HO*        G   2   2.334  -9.932  -9.194
   19    H1*    G   2           H1*        G   2   3.061 -11.603  -6.360
   20    H8     G   2           H8         G   2   5.078  -9.208  -4.302
   21    H1     G   2           H1         G   2  -0.739 -10.469  -1.837
   22   1H2     G   2          1H2         G   2  -2.065 -11.311  -3.427
   23   2H2     G   2          2H2         G   2  -1.459 -11.646  -5.043
   24   1H5*    C   3          1H5*        C   3   0.814  -8.816  -9.889
   25   2H5*    C   3          2H5*        C   3   0.185  -7.282 -10.523
   26    H4*    C   3           H4*        C   3  -1.594  -8.631  -9.462
   27    H3*    C   3           H3*        C   3  -0.854  -6.059  -8.029
   28    H2*    C   3           H2*        C   3  -2.762  -6.484  -6.610
   29   2HO*    C   3          2HO*        C   3  -3.947  -7.319  -8.533
   30    H1*    C   3           H1*        C   3  -2.218  -9.169  -6.315
   31   1H4     C   3          1H4         C   3   0.340  -6.560  -1.141
   32   2H4     C   3          2H4         C   3   1.835  -6.208  -1.990
   33    H5     C   3           H5         C   3   2.077  -6.581  -4.457
   34    H6     C   3           H6         C   3   0.946  -7.335  -6.422
   35   1H5*    G   4          1H5*        G   4  -5.213  -5.919  -8.820
   36   2H5*    G   4          2H5*        G   4  -5.646  -4.237  -9.171
   37    H4*    G   4           H4*        G   4  -6.923  -5.202  -7.250
   38    H3*    G   4           H3*        G   4  -5.101  -2.867  -6.654
   39    H2*    G   4           H2*        G   4  -6.074  -2.916  -4.444
   40   2HO*    G   4          2HO*        G   4  -8.207  -3.453  -5.465
   41    H1*    G   4           H1*        G   4  -5.984  -5.628  -4.162
   42    H8     G   4           H8         G   4  -2.815  -4.421  -5.882
   43    H1     G   4           H1         G   4  -2.817  -3.666   0.506
   44   1H2     G   4          1H2         G   4  -4.981  -3.691   1.252
   45   2H2     G   4          2H2         G   4  -6.294  -4.085   0.156
   46   1H5*    U   5          1H5*        U   5  -9.201  -1.914  -5.276
   47   2H5*    U   5          2H5*        U   5  -9.504  -0.181  -5.483
   48    H4*    U   5           H4*        U   5  -9.753  -0.989  -3.115
   49    H3*    U   5           H3*        U   5  -7.612   1.076  -3.698
   50    H2*    U   5           H2*        U   5  -7.295   1.199  -1.302
   51   2HO*    U   5          2HO*        U   5  -9.654   0.967  -0.984
   52    H1*    U   5           H1*        U   5  -7.411  -1.527  -0.912
   53    H3     U   5           H3         U   5  -3.096  -0.408  -0.035
   54    H5     U   5           H5         U   5  -3.290  -0.879  -4.219
   55    H6     U   5           H6         U   5  -5.679  -0.934  -4.064
   56   1H5*    U   6          1H5*        U   6 -10.326   2.550  -0.475
   57   2H5*    U   6          2H5*        U   6 -10.437   4.316  -0.551
   58    H4*    U   6           H4*        U   6  -9.571   3.391   1.648
   59    H3*    U   6           H3*        U   6  -7.830   5.277   0.036
   60    H2*    U   6           H2*        U   6  -6.280   5.220   1.876
   61   2HO*    U   6          2HO*        U   6  -8.155   5.277   3.381
   62    H1*    U   6           H1*        U   6  -6.581   2.507   2.392
   63    H3     U   6           H3         U   6  -2.279   2.588   0.963
   64    H5     U   6           H5         U   6  -4.519   3.254  -2.537
   65    H6     U   6           H6         U   6  -6.499   3.468  -1.183
   66   1H5*    C   7          1H5*        C   7  -8.232   7.026   4.128
   67   2H5*    C   7          2H5*        C   7  -8.143   8.794   4.002
   68    H4*    C   7           H4*        C   7  -6.299   7.765   5.387
   69    H3*    C   7           H3*        C   7  -5.561   9.335   2.915
   70    H2*    C   7           H2*        C   7  -3.250   8.921   3.432
   71   2HO*    C   7          2HO*        C   7  -4.017   9.220   5.806
   72    H1*    C   7           H1*        C   7  -3.608   6.314   4.356
   73   1H4     C   7          1H4         C   7  -1.252   5.731  -1.507
   74   2H4     C   7          2H4         C   7  -2.694   6.395  -2.273
   75    H5     C   7           H5         C   7  -4.642   7.194  -0.911
   76    H6     C   7           H6         C   7  -5.431   7.533   1.325
   77   1H5*    G   8          1H5*        G   8  -2.634  10.869   5.268
   78   2H5*    G   8          2H5*        G   8  -2.756  12.638   5.237
   79    H4*    G   8           H4*        G   8  -0.580  11.918   4.364
   80    H3*    G   8           H3*        G   8  -2.504  13.156   2.378
   81    H2*    G   8           H2*        G   8  -0.812  13.036   0.722
   82   2HO*    G   8          2HO*        G   8   0.850  13.767   2.182
   83    H1*    G   8           H1*        G   8   0.150  10.543   1.444
   84    H8     G   8           H8         G   8  -3.689  10.691   1.579
   85    H1     G   8           H1         G   8  -1.209   9.111  -4.139
   86   1H2     G   8          1H2         G   8   1.079   9.504  -4.112
   87   2H2     G   8          2H2         G   8   1.829  10.186  -2.687
   88   1H5*    U   9          1H5*        U   9   1.065  17.578   2.715
   89   2H5*    U   9          2H5*        U   9   1.248  16.869   1.099
   90    H4*    U   9           H4*        U   9   3.443  17.353   2.024
   91    H3*    U   9           H3*        U   9   2.733  14.751   1.152
   92    H2*    U   9           H2*        U   9   2.723  13.718   3.201
   93   2HO*    U   9          2HO*        U   9   4.510  12.663   2.350
   94    H1*    U   9           H1*        U   9   4.942  15.499   4.129
   95    H3     U   9           H3         U   9   4.509  13.622   8.323
   96    H5     U   9           H5         U   9   0.568  13.580   6.829
   97    H6     U   9           H6         U   9   1.394  14.621   4.789
   98   1H5*    U  10          1H5*        U  10   4.011  13.028   0.061
   99   2H5*    U  10          2H5*        U  10   5.474  13.325  -0.871
  100    H4*    U  10           H4*        U  10   4.204  11.537  -1.972
  101    H3*    U  10           H3*        U  10   5.038  13.708  -3.374
  102    H2*    U  10           H2*        U  10   2.939  14.914  -3.252
  103   2HO*    U  10          2HO*        U  10   3.162  13.323  -5.531
  104    H1*    U  10           H1*        U  10   1.567  12.257  -3.752
  105    H3     U  10           H3         U  10  -2.568  14.103  -3.615
  106    H5     U  10           H5         U  10  -0.453  16.338  -0.746
  107    H6     U  10           H6         U  10   1.505  14.992  -1.201
  108   1H5*    A  11          1H5*        A  11   5.898   8.554  -3.778
  109   2H5*    A  11          2H5*        A  11   4.937   9.883  -3.184
  110    H4*    A  11           H4*        A  11   7.715  10.611  -3.497
  111    H3*    A  11           H3*        A  11   6.973   8.362  -1.623
  112    H2*    A  11           H2*        A  11   8.475   9.284   0.014
  113   2HO*    A  11          2HO*        A  11  10.088   9.976  -1.606
  114    H1*    A  11           H1*        A  11   7.629  11.814  -0.306
  115    H8     A  11           H8         A  11   7.220  11.319   2.121
  116   1H6     A  11          1H6         A  11   1.427   9.327   2.937
  117   2H6     A  11          2H6         A  11   2.850  10.017   3.708
  118    H2     A  11           H2         A  11   2.512   8.635  -1.328
  119   1H5*    G  12          1H5*        G  12   9.505   5.180  -0.426
  120   2H5*    G  12          2H5*        G  12   8.119   5.885  -1.297
  121    H4*    G  12           H4*        G  12   8.822   6.787   1.519
  122    H3*    G  12           H3*        G  12   7.150   4.408   0.637
  123    H2*    G  12           H2*        G  12   5.710   4.872   2.520
  124   2HO*    G  12          2HO*        G  12   7.683   5.511   3.790
  125    H1*    G  12           H1*        G  12   5.551   7.534   2.042
  126    H8     G  12           H8         G  12   5.835   6.022  -1.407
  127    H1     G  12           H1         G  12  -0.076   5.768   1.089
  128   1H2     G  12          1H2         G  12   0.043   6.166   3.342
  129   2H2     G  12          2H2         G  12   1.579   6.519   4.120
  130   1H5*    A  13          1H5*        A  13   7.750   3.839   4.896
  131   2H5*    A  13          2H5*        A  13   7.817   2.109   5.280
  132    H4*    A  13           H4*        A  13   5.940   3.358   6.400
  133    H3*    A  13           H3*        A  13   5.188   1.101   4.545
  134    H2*    A  13           H2*        A  13   2.903   1.507   5.301
  135   2HO*    A  13          2HO*        A  13   3.677   1.997   7.494
  136    H1*    A  13           H1*        A  13   3.020   4.203   5.005
  137    H8     A  13           H8         A  13   5.081   2.844   2.121
  138   1H6     A  13          1H6         A  13  -0.329   2.257  -0.839
  139   2H6     A  13          2H6         A  13   1.423   2.185  -0.977
  140    H2     A  13           H2         A  13  -1.209   3.029   3.477
  141   1H5*    A  14          1H5*        A  14   3.358   0.659   8.592
  142   2H5*    A  14          2H5*        A  14   3.116  -1.049   8.992
  143    H4*    A  14           H4*        A  14   1.011   0.378   8.978
  144    H3*    A  14           H3*        A  14   1.225  -2.056   7.197
  145    H2*    A  14           H2*        A  14  -1.064  -1.652   6.543
  146   2HO*    A  14          2HO*        A  14  -1.487  -0.970   8.843
  147    H1*    A  14           H1*        A  14  -0.800   1.060   6.244
  148    H8     A  14           H8         A  14   2.396  -0.529   4.893
  149   1H6     A  14          1H6         A  14  -0.657  -0.990  -0.470
  150   2H6     A  14          2H6         A  14   0.881  -1.158   0.361
  151    H2     A  14           H2         A  14  -3.628   0.096   2.715
  152   1H5*    C  15          1H5*        C  15  -2.534  -2.421   9.442
  153   2H5*    C  15          2H5*        C  15  -2.846  -4.129   9.800
  154    H4*    C  15           H4*        C  15  -4.628  -3.058   8.400
  155    H3*    C  15           H3*        C  15  -3.070  -5.322   7.129
  156    H2*    C  15           H2*        C  15  -4.695  -5.166   5.325
  157   2HO*    C  15          2HO*        C  15  -6.373  -4.671   7.012
  158    H1*    C  15           H1*        C  15  -4.626  -2.421   5.212
  159   1H4     C  15          1H4         C  15  -0.379  -4.020   0.767
  160   2H4     C  15          2H4         C  15   0.845  -4.356   1.975
  161    H5     C  15           H5         C  15   0.360  -4.309   4.418
  162    H6     C  15           H6         C  15  -1.346  -3.914   6.050
  163   1H5*    G  16          1H5*        G  16  -7.302  -6.391   6.812
  164   2H5*    G  16          2H5*        G  16  -7.446  -8.146   7.032
  165    H4*    G  16           H4*        G  16  -8.339  -7.378   4.827
  166    H3*    G  16           H3*        G  16  -5.901  -9.167   4.780
  167    H2*    G  16           H2*        G  16  -6.152  -9.221   2.401
  168   2HO*    G  16          2HO*        G  16  -7.952  -8.548   1.353
  169    H1*    G  16           H1*        G  16  -6.757  -6.549   2.153
  170    H8     G  16           H8         G  16  -3.865  -6.918   4.611
  171    H1     G  16           H1         G  16  -2.164  -7.346  -1.582
  172   1H2     G  16          1H2         G  16  -4.017  -7.825  -2.832
  173   2H2     G  16          2H2         G  16  -5.613  -7.855  -2.098
  174   1H5*    U  17          1H5*        U  17  -8.442 -10.948   2.021
  175   2H5*    U  17          2H5*        U  17  -8.432 -12.696   2.232
  176    H4*    U  17           H4*        U  17  -7.668 -12.124  -0.029
  177    H3*    U  17           H3*        U  17  -5.505 -13.180   1.815
  178    H2*    U  17           H2*        U  17  -4.048 -13.191  -0.075
  179   2HO*    U  17          2HO*        U  17  -5.640 -14.008  -1.537
  180    H1*    U  17           H1*        U  17  -4.905 -10.746  -1.053
  181    H3     U  17           H3         U  17  -0.587 -10.065   0.350
  182    H5     U  17           H5         U  17  -2.799 -10.344   3.913
  183    H6     U  17           H6         U  17  -4.754 -10.871   2.633
  184   1H5*    C  18          1H5*        C  18  -5.988 -15.876  -1.928
  185   2H5*    C  18          2H5*        C  18  -5.576 -17.518  -1.392
  186    H4*    C  18           H4*        C  18  -4.245 -16.795  -3.387
  187    H3*    C  18           H3*        C  18  -2.698 -17.243  -0.811
  188    H2*    C  18           H2*        C  18  -0.708 -16.950  -2.086
  189   2HO*    C  18          2HO*        C  18  -0.707 -16.858  -4.326
  190    H1*    C  18           H1*        C  18  -1.748 -14.817  -3.566
  191   1H4     C  18          1H4         C  18   1.753 -12.011   0.917
  192   2H4     C  18          2H4         C  18   0.528 -12.250   2.141
  193    H5     C  18           H5         C  18  -1.488 -13.706   1.713
  194    H6     C  18           H6         C  18  -2.670 -14.940   0.019
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  10.476 -12.521  -4.314
    2   2H5*    G   1          2H5*        G   1   9.715 -13.014  -2.787
    3    H4*    G   1           H4*        G   1   9.289 -14.432  -5.463
    4    H3*    G   1           H3*        G   1   7.645 -12.324  -4.064
    5    H2*    G   1           H2*        G   1   5.748 -13.370  -5.113
    6   2HO*    G   1          2HO*        G   1   7.092 -13.805  -7.084
    7    H1*    G   1           H1*        G   1   6.503 -15.914  -4.468
    8    H8     G   1           H8         G   1   7.508 -13.602  -1.668
    9    H1     G   1           H1         G   1   1.162 -14.566  -1.873
   10   1H2     G   1          1H2         G   1   0.616 -15.474  -3.901
   11   2H2     G   1          2H2         G   1   1.868 -15.928  -5.049
   12    H5T    G   1           HB         G   1  11.814 -13.902  -3.058
   13   1H5*    G   2          1H5*        G   2   6.402 -12.559  -8.209
   14   2H5*    G   2          2H5*        G   2   5.921 -10.966  -8.811
   15    H4*    G   2           H4*        G   2   4.148 -12.769  -8.972
   16    H3*    G   2           H3*        G   2   3.579 -10.243  -7.416
   17    H2*    G   2           H2*        G   2   1.306 -11.074  -7.187
   18   2HO*    G   2          2HO*        G   2   1.567 -11.985  -9.453
   19    H1*    G   2           H1*        G   2   2.033 -13.617  -6.542
   20    H8     G   2           H8         G   2   4.619 -11.683  -4.670
   21    H1     G   2           H1         G   2  -1.260 -11.351  -2.042
   22   1H2     G   2          1H2         G   2  -2.793 -11.988  -3.536
   23   2H2     G   2          2H2         G   2  -2.331 -12.575  -5.128
   24   1H5*    C   3          1H5*        C   3   0.225 -10.618 -10.090
   25   2H5*    C   3          2H5*        C   3  -0.134  -9.021 -10.774
   26    H4*    C   3           H4*        C   3  -2.073  -9.971  -9.568
   27    H3*    C   3           H3*        C   3  -0.819  -7.501  -8.328
   28    H2*    C   3           H2*        C   3  -2.716  -7.492  -6.826
   29   2HO*    C   3          2HO*        C   3  -4.106  -8.248  -8.651
   30    H1*    C   3           H1*        C   3  -2.613 -10.194  -6.344
   31   1H4     C   3          1H4         C   3   0.637  -7.651  -1.544
   32   2H4     C   3          2H4         C   3   2.138  -7.728  -2.449
   33    H5     C   3           H5         C   3   2.182  -8.410  -4.874
   34    H6     C   3           H6         C   3   0.824  -9.067  -6.719
   35   1H5*    G   4          1H5*        G   4  -5.106  -6.686  -8.929
   36   2H5*    G   4          2H5*        G   4  -5.311  -4.972  -9.330
   37    H4*    G   4           H4*        G   4  -6.593  -5.697  -7.297
   38    H3*    G   4           H3*        G   4  -4.464  -3.590  -6.911
   39    H2*    G   4           H2*        G   4  -5.333  -3.417  -4.669
   40   2HO*    G   4          2HO*        G   4  -7.567  -3.714  -5.499
   41    H1*    G   4           H1*        G   4  -5.529  -6.088  -4.239
   42    H8     G   4           H8         G   4  -2.349  -5.383  -6.161
   43    H1     G   4           H1         G   4  -1.994  -3.989   0.113
   44   1H2     G   4          1H2         G   4  -4.124  -3.756   0.937
   45   2H2     G   4          2H2         G   4  -5.506  -4.150  -0.071
   46   1H5*    U   5          1H5*        U   5  -8.453  -2.167  -5.463
   47   2H5*    U   5          2H5*        U   5  -8.572  -0.413  -5.669
   48    H4*    U   5           H4*        U   5  -8.917  -1.248  -3.303
   49    H3*    U   5           H3*        U   5  -6.663   0.707  -3.849
   50    H2*    U   5           H2*        U   5  -6.402   0.798  -1.444
   51   2HO*    U   5          2HO*        U   5  -8.779   0.637  -1.176
   52    H1*    U   5           H1*        U   5  -6.581  -1.909  -1.083
   53    H3     U   5           H3         U   5  -2.246  -0.666  -0.248
   54    H5     U   5           H5         U   5  -2.461  -1.558  -4.368
   55    H6     U   5           H6         U   5  -4.840  -1.534  -4.212
   56   1H5*    U   6          1H5*        U   6  -9.293   2.270  -0.645
   57   2H5*    U   6          2H5*        U   6  -9.260   4.038  -0.594
   58    H4*    U   6           H4*        U   6  -8.467   2.790   1.505
   59    H3*    U   6           H3*        U   6  -6.701   4.881   0.207
   60    H2*    U   6           H2*        U   6  -5.161   4.535   1.985
   61   2HO*    U   6          2HO*        U   6  -6.988   4.401   3.512
   62    H1*    U   6           H1*        U   6  -5.392   1.795   2.089
   63    H3     U   6           H3         U   6  -1.147   2.783   0.713
   64    H5     U   6           H5         U   6  -3.501   2.869  -2.782
   65    H6     U   6           H6         U   6  -5.464   2.792  -1.408
   66   1H5*    C   7          1H5*        C   7  -8.432   6.892   3.895
   67   2H5*    C   7          2H5*        C   7  -8.343   8.660   3.807
   68    H4*    C   7           H4*        C   7  -6.519   7.561   5.194
   69    H3*    C   7           H3*        C   7  -5.761   9.221   2.788
   70    H2*    C   7           H2*        C   7  -3.481   8.921   3.392
   71   2HO*    C   7          2HO*        C   7  -2.857   8.105   5.401
   72    H1*    C   7           H1*        C   7  -3.825   6.258   4.279
   73   1H4     C   7          1H4         C   7  -0.826   5.979  -1.322
   74   2H4     C   7          2H4         C   7  -2.292   6.383  -2.208
   75    H5     C   7           H5         C   7  -4.462   6.823  -1.045
   76    H6     C   7           H6         C   7  -5.478   7.152   1.103
   77   1H5*    G   8          1H5*        G   8  -3.210  10.958   5.301
   78   2H5*    G   8          2H5*        G   8  -3.582  12.689   5.422
   79    H4*    G   8           H4*        G   8  -1.266  12.426   4.713
   80    H3*    G   8           H3*        G   8  -3.206  13.492   2.650
   81    H2*    G   8           H2*        G   8  -1.481  13.663   1.062
   82   2HO*    G   8          2HO*        G   8  -0.032  14.625   2.640
   83    H1*    G   8           H1*        G   8  -0.083  11.388   1.791
   84    H8     G   8           H8         G   8  -3.880  10.780   1.660
   85    H1     G   8           H1         G   8  -0.670   9.399  -3.736
   86   1H2     G   8          1H2         G   8   1.456  10.320  -3.615
   87   2H2     G   8          2H2         G   8   1.925  11.249  -2.210
   88   1H5*    U   9          1H5*        U   9  -0.505  18.393   3.138
   89   2H5*    U   9          2H5*        U   9  -0.141  17.685   1.551
   90    H4*    U   9           H4*        U   9   1.896  18.596   2.499
   91    H3*    U   9           H3*        U   9   1.722  15.873   1.740
   92    H2*    U   9           H2*        U   9   1.754  14.954   3.846
   93   2HO*    U   9          2HO*        U   9   3.707  14.102   3.236
   94    H1*    U   9           H1*        U   9   3.622  17.126   4.731
   95    H3     U   9           H3         U   9   3.266  15.831   9.140
   96    H5     U   9           H5         U   9  -0.408  14.610   7.473
   97    H6     U   9           H6         U   9   0.319  15.522   5.340
   98   1H5*    U  10          1H5*        U  10   3.290  14.396   0.706
   99   2H5*    U  10          2H5*        U  10   4.722  14.931  -0.168
  100    H4*    U  10           H4*        U  10   3.830  12.970  -1.322
  101    H3*    U  10           H3*        U  10   4.245  15.297  -2.710
  102    H2*    U  10           H2*        U  10   1.960  16.042  -2.632
  103   2HO*    U  10          2HO*        U  10   2.559  14.536  -4.895
  104    H1*    U  10           H1*        U  10   1.150  13.171  -3.157
  105    H3     U  10           H3         U  10  -3.298  13.982  -2.911
  106    H5     U  10           H5         U  10  -1.694  16.745  -0.174
  107    H6     U  10           H6         U  10   0.517  15.901  -0.682
  108   1H5*    A  11          1H5*        A  11   6.015  10.271  -3.037
  109   2H5*    A  11          2H5*        A  11   4.835  11.432  -2.466
  110    H4*    A  11           H4*        A  11   7.520  12.500  -2.587
  111    H3*    A  11           H3*        A  11   6.860  10.210  -0.726
  112    H2*    A  11           H2*        A  11   8.111  11.307   1.009
  113   2HO*    A  11          2HO*        A  11   9.783  12.134  -0.484
  114    H1*    A  11           H1*        A  11   7.036  13.736   0.562
  115    H8     A  11           H8         A  11   6.397  13.309   2.948
  116   1H6     A  11          1H6         A  11   1.089  10.173   3.384
  117   2H6     A  11          2H6         A  11   2.260  11.175   4.232
  118    H2     A  11           H2         A  11   2.624   9.663  -0.761
  119   1H5*    G  12          1H5*        G  12   9.711   7.357   0.819
  120   2H5*    G  12          2H5*        G  12   8.310   7.791  -0.186
  121    H4*    G  12           H4*        G  12   8.619   8.914   2.623
  122    H3*    G  12           H3*        G  12   7.422   6.239   1.792
  123    H2*    G  12           H2*        G  12   5.594   6.603   3.252
  124   2HO*    G  12          2HO*        G  12   7.168   7.576   4.833
  125    H1*    G  12           H1*        G  12   5.164   9.188   2.616
  126    H8     G  12           H8         G  12   6.056   7.839  -0.734
  127    H1     G  12           H1         G  12   0.183   6.146   1.277
  128   1H2     G  12          1H2         G  12   0.042   6.497   3.534
  129   2H2     G  12          2H2         G  12   1.434   7.069   4.444
  130   1H5*    A  13          1H5*        A  13   8.741   2.430   3.937
  131   2H5*    A  13          2H5*        A  13   7.377   2.420   2.821
  132    H4*    A  13           H4*        A  13   7.596   3.742   5.536
  133    H3*    A  13           H3*        A  13   5.887   1.670   4.201
  134    H2*    A  13           H2*        A  13   3.881   2.444   5.207
  135   2HO*    A  13          2HO*        A  13   5.344   2.944   7.187
  136    H1*    A  13           H1*        A  13   4.227   5.083   4.784
  137    H8     A  13           H8         A  13   6.027   4.189   1.777
  138   1H6     A  13          1H6         A  13   0.675   2.743  -0.943
  139   2H6     A  13          2H6         A  13   2.406   2.979  -1.131
  140    H2     A  13           H2         A  13  -0.108   3.247   3.456
  141   1H5*    A  14          1H5*        A  14   4.415   1.369   8.098
  142   2H5*    A  14          2H5*        A  14   4.252  -0.326   8.583
  143    H4*    A  14           H4*        A  14   2.091   0.960   8.561
  144    H3*    A  14           H3*        A  14   2.372  -1.437   6.732
  145    H2*    A  14           H2*        A  14   0.042  -1.115   6.159
  146   2HO*    A  14          2HO*        A  14  -0.320  -0.433   8.481
  147    H1*    A  14           H1*        A  14   0.226   1.590   5.832
  148    H8     A  14           H8         A  14   3.486   0.320   4.423
  149   1H6     A  14          1H6         A  14   0.309  -0.887  -0.763
  150   2H6     A  14          2H6         A  14   1.896  -0.764  -0.013
  151    H2     A  14           H2         A  14  -2.644  -0.015   2.491
  152   1H5*    C  15          1H5*        C  15  -1.332  -1.943   8.979
  153   2H5*    C  15          2H5*        C  15  -1.611  -3.655   9.331
  154    H4*    C  15           H4*        C  15  -3.428  -2.550   7.980
  155    H3*    C  15           H3*        C  15  -1.971  -4.877   6.711
  156    H2*    C  15           H2*        C  15  -3.685  -4.726   4.981
  157   2HO*    C  15          2HO*        C  15  -5.283  -4.126   6.689
  158    H1*    C  15           H1*        C  15  -3.503  -2.006   4.752
  159   1H4     C  15          1H4         C  15   0.435  -4.266   0.279
  160   2H4     C  15          2H4         C  15   1.754  -4.334   1.430
  161    H5     C  15           H5         C  15   1.439  -3.857   3.854
  162    H6     C  15           H6         C  15  -0.166  -3.264   5.523
  163   1H5*    G  16          1H5*        G  16  -6.312  -5.660   6.790
  164   2H5*    G  16          2H5*        G  16  -6.615  -7.391   7.017
  165    H4*    G  16           H4*        G  16  -7.651  -6.393   4.935
  166    H3*    G  16           H3*        G  16  -5.686  -8.675   4.685
  167    H2*    G  16           H2*        G  16  -6.149  -8.655   2.315
  168   2HO*    G  16          2HO*        G  16  -8.479  -8.078   2.984
  169    H1*    G  16           H1*        G  16  -6.144  -5.938   2.035
  170    H8     G  16           H8         G  16  -3.233  -6.619   4.342
  171    H1     G  16           H1         G  16  -2.022  -7.983  -1.828
  172   1H2     G  16          1H2         G  16  -4.008  -8.304  -2.927
  173   2H2     G  16          2H2         G  16  -5.538  -8.014  -2.108
  174   1H5*    U  17          1H5*        U  17  -8.730  -9.873   2.038
  175   2H5*    U  17          2H5*        U  17  -9.106 -11.568   2.342
  176    H4*    U  17           H4*        U  17  -8.320 -11.256   0.026
  177    H3*    U  17           H3*        U  17  -6.434 -12.759   1.862
  178    H2*    U  17           H2*        U  17  -5.053 -13.166  -0.031
  179   2HO*    U  17          2HO*        U  17  -6.758 -13.671  -1.471
  180    H1*    U  17           H1*        U  17  -5.362 -10.632  -1.125
  181    H3     U  17           H3         U  17  -0.943 -10.892   0.086
  182    H5     U  17           H5         U  17  -3.002 -10.384   3.717
  183    H6     U  17           H6         U  17  -5.079 -10.576   2.542
  184   1H5*    C  18          1H5*        C  18  -7.738 -15.317  -1.861
  185   2H5*    C  18          2H5*        C  18  -7.728 -16.996  -1.279
  186    H4*    C  18           H4*        C  18  -6.365 -16.705  -3.356
  187    H3*    C  18           H3*        C  18  -4.858 -17.444  -0.826
  188    H2*    C  18           H2*        C  18  -2.917 -17.701  -2.171
  189   2HO*    C  18          2HO*        C  18  -2.983 -17.698  -4.415
  190    H1*    C  18           H1*        C  18  -3.441 -15.434  -3.717
  191   1H4     C  18          1H4         C  18   0.786 -13.381   0.534
  192   2H4     C  18          2H4         C  18  -0.415 -13.275   1.803
  193    H5     C  18           H5         C  18  -2.732 -14.213   1.492
  194    H6     C  18           H6         C  18  -4.228 -15.204  -0.107