*HEADER    RNA                                     24-JAN-05   1YNC              
*TITLE     NMR STRUCTURE OF THE APOB MRNA STEM-LOOP AND ITS                      
*TITLE    2 INTERACTION WITH THE C TO U EDITING APOBEC1 COMPLEMENTARY            
*TITLE    3 FACTOR                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: APOLIPOPROTEIN B MRNA;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: EDITING SITE OF APOB ENZYME;                               
*COMPND   5 SYNONYM: APOB MRNA;                                                  
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: IN VITRO T7 POLYMERASE TRANSCRIPTION, THE             
*SOURCE   4 SEQUENCE OF THIS RNA NATURALLY EXISTS IN HOMO SAPIENS                
*SOURCE   5 (HUMAN)                                                              
*KEYWDS    RNA EDITING; APOB MRNA; APOBEC1; ACF; NMR STRUCTURE                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.MARIS, J.E.MASSE, F.H.T.ALLAIN, A.CHESTER, N.NAVARATNAM             
*REVDAT   1   08-FEB-05 1YNC    0                                                

#
# 1     GUA   H8    1     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
# 1     GUA   H8    1     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 1     GUA   H8    1     GUA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   7, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 1     GUA   H8    1     GUA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   4, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 1     GUA   H8    1     GUA  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   5, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 1     GUA   H1'   1     GUA   H8    3.7    
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 2     GUA   H8    1     GUA   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  13, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 2     GUA   H8    3     ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 2     GUA   H8    1     GUA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  10, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2     GUA   H8    1     GUA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  29, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 2     GUA   H8    1     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2     GUA   H8    2     GUA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  44, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 2     GUA   H8    2     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2     GUA   H8    2     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2     GUA   H8    2     GUA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  41, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2     GUA   H8    2     GUA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  38, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 2     GUA   H8    2     GUA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  47,  39, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2     GUA   H1'   1     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  29, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H8    2     GUA   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  47, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 3     ADE   H8    2     GUA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H8    3     ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  78, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 3     ADE   H8    3     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H8    3     ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  94, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 3     ADE   H8    3     ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  75, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H8    3     ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  72, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 3     ADE   H8    3     ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H1'   2     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H2    3     ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3     ADE   H2    3     ADE  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  96, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3     ADE   H2    30    CYT   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3     ADE   H2    4     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 111, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 3     ADE   H2    4     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 114, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 3     ADE   H2    30    CYT   H6    6.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3     ADE   H2    28    ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 3     ADE   H8    4     URA   H5    6    
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3     ADE   H8    2     GUA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  63, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 3     ADE   H8    2     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 3     ADE   H8    2     GUA   H4'   6    
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  41, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H6    3     ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  81, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 4     URA   H6    3     ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  78, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4     URA   H6    4     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 111, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 4     URA   H6    4     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4     URA   H6    4     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4     URA   H6    4     URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4     URA   H6    4     URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 105, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 4     URA   H6    4     URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 106, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4     URA   H1'   5     ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H1'   3     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 4     URA   H5    4     URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H5    4     URA  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 126, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H5    4     URA   H3'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 124, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H5    3     ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  78, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4     URA   H5    3     ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  96, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 4     URA   H5    3     ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 116,  94, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 4     URA   H6    3     ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  96, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 4     URA   H6    3     ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  94, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5     ADE   H8    4     URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H8    5     ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 141, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 5     ADE   H8    5     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H8    5     ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5     ADE   H8    5     ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H8    5     ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 135, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 5     ADE   H8    5     ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H1'   6     URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H1'   4     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H8    4     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 114, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 5     ADE   H8    6     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 5     ADE   H8    4     URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 126, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 5     ADE   H8    4     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5     ADE   H8    4     URA   H4'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 108, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H2    5     ADE  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H2    5     ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H2    6     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 5     ADE   H2    6     URA  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H2    28    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 872, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5     ADE   H2    6     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 5     ADE   H2    28    ADE   H8    6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5     ADE   H2    26    ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 6     URA   H6    5     ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 6     URA   H6    6     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 6     URA   H6    6     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 6     URA   H6    6     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6     URA   H6    6     URA   H4'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 6     URA   H6    6     URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 168, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 6     URA   H6    6     URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 6     URA   H1'   7     ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6     URA   H1'   5     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 6     URA   H5    6     URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 174, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6     URA   H5    6     URA  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6     URA   H5    6     URA   H3'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 187, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6     URA   H5    5     ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6     URA   H5    5     ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 159, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 6     URA   H5    5     ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 157, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 6     URA   H6    5     ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 159, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 6     URA   H6    5     ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6     URA   H6    7     ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 6     URA   H5    5     ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    6     URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    7     ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 204, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 7     ADE   H8    7     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    7     ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 7     ADE   H8    7     ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 201, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    7     ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 198, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 7     ADE   H8    7     ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 199, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H1'   8     URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7     ADE   H1'   6     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    6     URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 189, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 7     ADE   H8    6     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 7     ADE   H8    8     URA   H5    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H8    8     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7     ADE   H2    7     ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7     ADE   H2    7     ADE  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7     ADE   H2    8     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 237, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 7     ADE   H2    8     URA  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7     ADE   H2    26    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 7     ADE   H2    8     URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7     ADE   H2    26    ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7     ADE   H2    26    ADE   H8    6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H6    7     ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8     URA   H6    8     URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 237, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8     URA   H6    8     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8     URA   H6    8     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 250, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   H6    8     URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 234, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8     URA   H6    8     URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 231, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8     URA   H6    8     URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 232, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8     URA   H1'   9     GUA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H1'   7     ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 8     URA   H5    8     URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H5    8     URA  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H5    8     URA   H3'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H5    7     ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 204, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H5    7     ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 222, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8     URA   H5    7     ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 220, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 8     URA   H6    7     ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 222, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 8     URA   H6    7     ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 220, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   H6    7     ADE   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8     URA   H6    9     GUA   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 9     GUA   H1'   10    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 9     GUA   H1'   8     URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    9     GUA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    9     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    9     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 284, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9     GUA   H8    9     GUA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    9     GUA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 261, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 9     GUA   H8    9     GUA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    8     URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 9     GUA   H8    8     URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 252, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 9     GUA   H8    8     URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 250, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9     GUA   H8    8     URA   H4'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 234, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 9     GUA   H8    10    ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 10    ADE   H8    9     GUA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H8    10    ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 301, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 10    ADE   H8    10    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H8    10    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 10    ADE   H8    10    ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H8    10    ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 295, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 10    ADE   H8    10    ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H1'   9     GUA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H1'   11    URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10    ADE   H1'   11    URA   H6    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H8    11    URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 10    ADE   H8    9     GUA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 286, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 10    ADE   H8    9     GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 284, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 10    ADE   H8    9     GUA   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10    ADE   H2    10    ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 10    ADE   H2    11    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H2    22    CYT   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 10    ADE   H2    20    ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 630, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 10    ADE   H2    11    URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 313, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 11    URA   H1'   12    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 364, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 11    URA   H1'   10    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11    URA   H5    11    URA   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 334, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 11    URA   H5    10    ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 301, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 11    URA   H5    10    ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 319, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11    URA   H6    11    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 334, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11    URA   H6    11    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11    URA   H6    11    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11    URA   H6    11    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11    URA   H6    11    URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 328, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 11    URA   H6    11    URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 329, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11    URA   H6    12    ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 11    URA   H6    10    ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 319, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 11    URA   H6    10    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11    URA   H6    10    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 11    URA   H5    10    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H8    11    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H8    12    ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 364, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 12    ADE   H8    12    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H8    12    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 12    ADE   H8    12    ADE  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H8    12    ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H1'   13    CYT   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 397, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 12    ADE   H1'   13    CYT   H6    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H1'   11    URA  1H2'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 12    ADE   H1'   13    CYT  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 391, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H8    13    CYT   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 12    ADE   H8    11    URA  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 12    ADE   H8    11    URA   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 347, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 12    ADE   H8    13    CYT   H5    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H2    13    CYT   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 12    ADE   H2    20    ADE   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 618, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 12    ADE   H2    20    ADE   H2    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 630, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H1'   14    ADE   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H1'   14    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H1'   12    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H5    12    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H5    12    ADE   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H5    12    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H5    12    ADE   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H5    14    ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H6    13    CYT   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 397, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 13    CYT   H6    13    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H6    13    CYT   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 13    CYT   H6    13    CYT   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 13    CYT   H6    13    CYT  1H5'   3.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 13    CYT   H6    13    CYT  2H5'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 392, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H6    14    ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 13    CYT   H6    12    ADE  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 382, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 13    CYT   H6    12    ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 380, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 14    ADE   H8    14    ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 428, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 14    ADE   H8    14    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H8    14    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 14    ADE   H8    14    ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H8    14    ADE  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H8    14    ADE  2H5'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 423, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 14    ADE   H1'   13    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 413, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H2    15    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H2    15    ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 14    ADE   H8    13    CYT   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 14    ADE   H8    13    CYT  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 14    ADE   H8    13    CYT   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 411, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 14    ADE   H8    13    CYT   H4'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H8    16    URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H8    16    URA   H5    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H8    14    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H8    15    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H8    15    ADE  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 479, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 15    ADE   H8    15    ADE   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H8    15    ADE   H4'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H8    15    ADE  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H8    15    ADE  2H5'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H8    14    ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 446, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 15    ADE   H8    14    ADE   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H8    14    ADE   H4'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 15    ADE   H2    16    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 15    ADE   H2    16    URA   H5    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 499, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 16    URA   H5    16    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16    URA   H5    16    URA   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16    URA   H5    15    ADE   H3'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 16    URA   H6    16    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 494, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 16    URA   H6    16    URA  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 509, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 16    URA   H6    16    URA   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16    URA   H6    16    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 491, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16    URA   H6    16    URA  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 16    URA   H6    16    URA  2H5'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 489, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 16    URA   H6    15    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H5    17    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H5    17    URA   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H5    17    URA  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H5    17    URA  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H6    17    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 524, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 17    URA   H6    17    URA  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 539, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 17    URA   H6    17    URA   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H6    17    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H6    17    URA  1H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 17    URA   H6    17    URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18    URA   H6    17    URA   H1'   5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 524, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 18    URA   H6    18    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 554, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 18    URA   H6    18    URA  1H2'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 18    URA   H6    18    URA   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18    URA   H6    18    URA   H4'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 18    URA   H6    18    URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 548, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 18    URA   H6    18    URA  2H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 549, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 18    URA   H5    18    URA  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 569, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18    URA   H5    18    URA   H3'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 567, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18    URA   H5    18    URA  1H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18    URA   H5    18    URA  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 549, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 19    GUA   H8    19    GUA   H1'   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 584, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 20    ADE   H8    20    ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 618, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 20    ADE   H8    20    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20    ADE   H8    20    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 634, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 20    ADE   H8    20    ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20    ADE   H8    20    ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 612, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 20    ADE   H8    20    ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20    ADE   H1'   21    URA   H1'   6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 618, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20    ADE   H8    19    GUA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20    ADE   H8    19    GUA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 603, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 20    ADE   H8    19    GUA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 601, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 20    ADE   H2    20    ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 20    ADE   H2    21    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20    ADE   H2    12    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H1'   22    CYT   H6    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H1'   20    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H5    21    URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 21    URA   H5    21    URA  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 21    URA   H5    21    URA   H3'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 21    URA   H6    21    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H6    21    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21    URA   H6    21    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H6    21    URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 645, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 21    URA   H6    21    URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H6    20    ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 636, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 21    URA   H6    20    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 634, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21    URA   H6    20    ADE   H4'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 21    URA   H6    20    ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H6    20    ADE   H8    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 21    URA   H5    20    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 618, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 21    URA   H5    20    ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 636, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 21    URA   H5    20    ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 634, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 21    URA   H5    20    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 621, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 21    URA   H5    22    CYT   H5    6    
 &rst
  ixpk= 0, nxpk= 0, iat= 656, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22    CYT   H1'   21    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 666, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22    CYT   H5    22    CYT  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22    CYT   H5    22    CYT   H3'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22    CYT   H5    21    URA   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 651, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 22    CYT   H5    21    URA  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 666, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 22    CYT   H5    21    URA   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 664, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 22    CYT   H5    21    URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 22    CYT   H6    22    CYT   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 681, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 22    CYT   H6    22    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22    CYT   H6    22    CYT   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 22    CYT   H6    22    CYT   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 678, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22    CYT   H6    22    CYT  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 675, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 22    CYT   H6    22    CYT  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 676, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 22    CYT   H6    21    URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 666, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 22    CYT   H6    21    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 664, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 22    CYT   H6    21    URA   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 684, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 23    ADE   H8    22    CYT   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H8    23    ADE   H1'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 712, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23    ADE   H8    23    ADE  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H8    23    ADE   H3'   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 23    ADE   H8    23    ADE   H4'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H8    23    ADE  1H5'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 706, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 23    ADE   H8    23    ADE  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H1'   22    CYT  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H1'   24    GUA  1H5'   5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 23    ADE   H8    22    CYT   H6    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 23    ADE   H8    22    CYT  1H2'   2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 697, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 23    ADE   H8    22    CYT   H3'   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 695, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 23    ADE   H2    9     GUA   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 267, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 23    ADE   H2    9     GUA   H8    6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 23    ADE   H2    24    GUA   H8    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 23    ADE   H2    24    GUA   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 745, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24    GUA   H8    23    ADE   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24    GUA   H8    24    GUA   H1'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 745, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 24    GUA   H8    24    GUA  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24    GUA   H8    24    GUA   H3'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 24    GUA   H8    24    GUA  1H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 739, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24    GUA   H8    24    GUA  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 24    GUA   H8    23    ADE   H8    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 25    URA   H1'   26    ADE   H1'   6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 25    URA   H5    25    URA   H3'   5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 25    URA   H6    25    URA   H1'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 779, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 25    URA   H6    25    URA  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 794, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25    URA   H6    25    URA   H3'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25    URA   H6    25    URA   H4'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25    URA   H6    25    URA  1H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 773, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25    URA   H6    25    URA  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 25    URA   H6    24    GUA   H1'   5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 26    ADE   H1'   27    URA   H6    4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H1'   27    URA   H1'   6
 &rst
  ixpk= 0, nxpk= 0, iat= 809, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26    ADE   H2    26    ADE   H1'   6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26    ADE   H2    26    ADE  1H2'   6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 827, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26    ADE   H2    27    URA   H1'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 842, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26    ADE   H2    7     ADE   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H2    7     ADE  1H2'   6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26    ADE   H2    7     ADE   H8    6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 26    ADE   H2    7     ADE   H2    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 216, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 26    ADE   H8    26    ADE   H1'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 809, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26    ADE   H8    26    ADE  1H2'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H8    26    ADE   H3'   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 825, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 26    ADE   H8    26    ADE   H4'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H8    26    ADE  1H5'   3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 803, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 26    ADE   H8    26    ADE  2H5'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H8    25    URA   H1'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 779, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H8    25    URA  1H2'   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 794, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 26    ADE   H8    25    URA   H3'   4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 792, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 26    ADE   H8    27    URA   H6    5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 845, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27    URA   H1'   28    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H1'   28    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H1'   26    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H5    26    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 812, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H5    27    URA   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H5    27    URA  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 857, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H5    27    URA   H3'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 855, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H5    26    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H5    26    ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 827, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 27    URA   H5    26    ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 847, 825, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 27    URA   H6    27    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 842, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 27    URA   H6    27    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H6    27    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 855, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27    URA   H6    27    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 839, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H6    27    URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 836, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 27    URA   H6    27    URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 27    URA   H6    26    ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 827, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 27    URA   H6    26    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 825, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27    URA   H6    26    ADE   H4'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 27    URA   H6    26    ADE   H8    6    
 &rst
  ixpk= 0, nxpk= 0, iat= 845, 812, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H8    27    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H8    28    ADE   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 872, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 28    ADE   H8    28    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 890, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H8    28    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 888, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28    ADE   H8    28    ADE   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 869, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H8    28    ADE  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 866, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 28    ADE   H8    28    ADE  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H1'   29    URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H1'   27    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 857, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H8    27    URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 857, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 28    ADE   H8    27    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 855, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 28    ADE   H8    27    URA   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H8    29    URA   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 28    ADE   H8    29    URA   H5    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H2    28    ADE   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H2    28    ADE  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 890, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H2    29    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 28    ADE   H2    29    URA  1H2'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 920, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H2    5     ADE   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 28    ADE   H2    5     ADE   H2    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 28    ADE   H2    5     ADE   H8    6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 884, 144, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 28    ADE   H1'   29    URA   H6    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 872, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H1'   28    ADE  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 890, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H5    29    URA   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H5    29    URA  1H2'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 920, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H5    29    URA   H3'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 918, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H5    28    ADE   H8    4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H5    28    ADE   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 872, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H5    30    CYT   H5    6    
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 940, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H5    28    ADE  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 890, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29    URA   H5    28    ADE   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 910, 888, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29    URA   H6    29    URA   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29    URA   H6    29    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H6    29    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 918, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29    URA   H6    29    URA   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 902, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H6    29    URA  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 899, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 29    URA   H6    29    URA  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 900, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 29    URA   H6    28    ADE  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 890, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 29    URA   H6    28    ADE   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 888, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29    URA   H6    28    ADE   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 29    URA   H6    30    CYT   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 908, 938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 30    CYT   H1'   31    CYT   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 966, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 30    CYT   H1'   29    URA  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 920, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30    CYT   H6    30    CYT   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 935, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 30    CYT   H6    30    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30    CYT   H6    30    CYT   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 30    CYT   H6    30    CYT   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30    CYT   H6    30    CYT  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 929, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 30    CYT   H6    30    CYT  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30    CYT   H6    31    CYT   H6    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 969, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 30    CYT   H6    29    URA   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 30    CYT   H6    29    URA  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 920, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 30    CYT   H6    29    URA   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 918, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 30    CYT   H6    29    URA   H4'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 938, 902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 30    CYT   H5    29    URA   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 30    CYT   H5    29    URA  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 920, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 30    CYT   H5    29    URA   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 918, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31    CYT   H1'   30    CYT   H1'   6    
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 31    CYT   H1'   30    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31    CYT   H5    31    CYT   H3'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31    CYT   H5    30    CYT   H1'   6.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 935, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 31    CYT   H5    30    CYT  1H2'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 951, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31    CYT   H5    30    CYT   H3'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 949, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31    CYT   H6    30    CYT   H1'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31    CYT   H6    30    CYT  1H2'   2.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 951, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 31    CYT   H6    30    CYT   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 31    CYT   H6    31    CYT   H1'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 966, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31    CYT   H6    31    CYT  1H2'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31    CYT   H6    31    CYT   H3'   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 980, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 31    CYT   H6    31    CYT   H4'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 31    CYT   H6    31    CYT  1H5'   3.7  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 960, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 31    CYT   H6    31    CYT  2H5'   4.5  
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 1     GUA   H1    31    CYT   H41   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 974, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 1     GUA   H1    31    CYT   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 1     GUA   H21   31    CYT   O2    3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 978, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2     GUA   H1    30    CYT   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 2     GUA   H1    30    CYT   H41   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 943, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2     GUA   H21   30    CYT   O2    3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 947, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2     GUA   H1    29    URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 29    URA   H3    3     ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  90, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29    URA   H3    3     ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29    URA   O4    3     ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 912,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 29    URA   H3    4     URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 914, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 29    URA   H3    3     ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 914,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4     URA   H3    28    ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 884, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4     URA   H3    28    ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4     URA   O4    28    ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4     URA   H3    27    URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 851, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 27    URA   H3    5     ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27    URA   H3    5     ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 149, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27    URA   O4    5     ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 149, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 27    URA   H3    6     URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 6     URA   H3    26    ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 821, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6     URA   H3    26    ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 6     URA   O4    26    ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   H3    23    ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   H3    23    ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 720, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   O4    23    ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 720, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 8     URA   H3    9     GUA   H1    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 276, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 9     GUA   H21   22    CYT   O2    3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9     GUA   H1    22    CYT   H41   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 689, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9     GUA   H1    21    URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 660, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 9     GUA   H1    22    CYT   H1'   5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 276, 681, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 21    URA   H3    10    ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 313, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21    URA   O4    10    ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 658, 309, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21    URA   H3    10    ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 309, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 21    URA   H3    11    URA   H3    5.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 660, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 11    URA   H3    20    ADE   H2    3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 630, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11    URA   O4    20    ADE   H61   3.0
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 11    URA   H3    20    ADE   H61   3.0  
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
# 986 atoms read from pdb file ../apobec.pdb.
# 1 GUA DELTA:  (1 RG5 C5')-(1 RG5 C4')-(1 RG5 C3')-(1 RG5 O3')  65.0 180.0
 &rst     iat =     3,     6,    26,    32,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
   rk2 =   1000.0, rk3 =   1000.0,    &end

# 2 GUA DELTA:  (2 RG C5')-(2 RG C4')-(2 RG C3')-(2 RG O3')  65.0 105.0
 &rst     iat =    37,    40,    60,    66,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 3 ADE DELTA:  (3 RA C5')-(3 RA C4')-(3 RA C3')-(3 RA O3')  65.0 105.0
 &rst     iat =    71,    74,    93,    99,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 4 URA DELTA:  (4 RU C5')-(4 RU C4')-(4 RU C3')-(4 RU O3')  65.0 105.0
 &rst     iat =   104,   107,   123,   129,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 5 ADE DELTA:  (5 RA C5')-(5 RA C4')-(5 RA C3')-(5 RA O3')  65.0 105.0
 &rst     iat =   134,   137,   156,   162,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 6 URA DELTA:  (6 RU C5')-(6 RU C4')-(6 RU C3')-(6 RU O3')  65.0 105.0
 &rst     iat =   167,   170,   186,   192,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 7 ADE DELTA:  (7 RA C5')-(7 RA C4')-(7 RA C3')-(7 RA O3')  65.0 105.0
 &rst     iat =   197,   200,   219,   225,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 8 URA DELTA:  (8 RU C5')-(8 RU C4')-(8 RU C3')-(8 RU O3')  65.0 105.0
 &rst     iat =   230,   233,   249,   255,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 9 GUA DELTA:  (9 RG C5')-(9 RG C4')-(9 RG C3')-(9 RG O3')  65.0 105.0
 &rst     iat =   260,   263,   283,   289,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 10 ADE DELTA:  (10 RA C5')-(10 RA C4')-(10 RA C3')-(10 RA O3')  65.0 105.0
 &rst     iat =   294,   297,   316,   322,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 11 URA DELTA:  (11 RU C5')-(11 RU C4')-(11 RU C3')-(11 RU O3')  65.0 180.0
 &rst     iat =   327,   330,   346,   352,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 12 ADE DELTA:  (12 RA C5')-(12 RA C4')-(12 RA C3')-(12 RA O3')  65.0 180.0
 &rst     iat =   357,   360,   379,   385,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 13 CYT DELTA:  (13 RC C5')-(13 RC C4')-(13 RC C3')-(13 RC O3')  65.0 180.0
 &rst     iat =   390,   393,   410,   416,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 14 ADE DELTA:  (14 RA C5')-(14 RA C4')-(14 RA C3')-(14 RA O3')  65.0 180.0
 &rst     iat =   421,   424,   443,   449,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 15 ADE DELTA:  (15 RA C5')-(15 RA C4')-(15 RA C3')-(15 RA O3')  65.0 180.0
 &rst     iat =   454,   457,   476,   482,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 16 URA DELTA:  (16 RU C5')-(16 RU C4')-(16 RU C3')-(16 RU O3')  65.0 180.0
 &rst     iat =   487,   490,   506,   512,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 17 URA DELTA:  (17 RU C5')-(17 RU C4')-(17 RU C3')-(17 RU O3')  65.0 180.0
 &rst     iat =   517,   520,   536,   542,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 18 URA DELTA:  (18 RU C5')-(18 RU C4')-(18 RU C3')-(18 RU O3')  65.0 180.0
 &rst     iat =   547,   550,   566,   572,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 19 GUA DELTA:  (19 RG C5')-(19 RG C4')-(19 RG C3')-(19 RG O3')  65.0 180.0
 &rst     iat =   577,   580,   600,   606,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 20 ADE DELTA:  (20 RA C5')-(20 RA C4')-(20 RA C3')-(20 RA O3')  65.0 105.0
 &rst     iat =   611,   614,   633,   639,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 21 URA DELTA:  (21 RU C5')-(21 RU C4')-(21 RU C3')-(21 RU O3')  65.0 105.0
 &rst     iat =   644,   647,   663,   669,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 22 CYT DELTA:  (22 RC C5')-(22 RC C4')-(22 RC C3')-(22 RC O3')  65.0 105.0
 &rst     iat =   674,   677,   694,   700,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 23 ADE DELTA:  (23 RA C5')-(23 RA C4')-(23 RA C3')-(23 RA O3')  65.0 105.0
 &rst     iat =   705,   708,   727,   733,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 24 GUA DELTA:  (24 RG C5')-(24 RG C4')-(24 RG C3')-(24 RG O3')  65.0 180.0
 &rst     iat =   738,   741,   761,   767,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 25 URA DELTA:  (25 RU C5')-(25 RU C4')-(25 RU C3')-(25 RU O3')  65.0 180.0
 &rst     iat =   772,   775,   791,   797,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 26 ADE DELTA:  (26 RA C5')-(26 RA C4')-(26 RA C3')-(26 RA O3')  65.0 105.0
 &rst     iat =   802,   805,   824,   830,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 27 URA DELTA:  (27 RU C5')-(27 RU C4')-(27 RU C3')-(27 RU O3')  65.0 105.0
 &rst     iat =   835,   838,   854,   860,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 28 ADE DELTA:  (28 RA C5')-(28 RA C4')-(28 RA C3')-(28 RA O3')  65.0 105.0
 &rst     iat =   865,   868,   887,   893,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 29 URA DELTA:  (29 RU C5')-(29 RU C4')-(29 RU C3')-(29 RU O3')  65.0 105.0
 &rst     iat =   898,   901,   917,   923,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 30 CYT DELTA:  (30 RC C5')-(30 RC C4')-(30 RC C3')-(30 RC O3')  65.0 105.0
 &rst     iat =   928,   931,   948,   954,
   r1 =  64.0, r2 =  65.0, r3 = 105.0, r4 = 106.0,
 &end

# 31 CYT DELTA:  (31 RC3 C5')-(31 RC3 C4')-(31 RC3 C3')-(31 RC3 O3')  65.0 180.0
 &rst     iat =   959,   962,   979,   985,
   r1 =  64.0, r2 =  65.0, r3 = 180.0, r4 = 181.0,
 &end

# 2 GUA ALPHA:  (1 RG5 O3')-(2 RG P)-(2 RG O5')-(2 RG C5') 290.0 310.0
 &rst     iat =    32,    33,    36,    37,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
          rk2 =   500.0, rk3 =   500.0, &end

# 3 ADE ALPHA:  (2 RG O3')-(3 RA P)-(3 RA O5')-(3 RA C5') 290.0 310.0
 &rst     iat =    66,    67,    70,    71,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 4 URA ALPHA:  (3 RA O3')-(4 RU P)-(4 RU O5')-(4 RU C5') 290.0 310.0
 &rst     iat =    99,   100,   103,   104,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 5 ADE ALPHA:  (4 RU O3')-(5 RA P)-(5 RA O5')-(5 RA C5') 290.0 310.0
 &rst     iat =   129,   130,   133,   134,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 27 URA ALPHA:  (26 RA O3')-(27 RU P)-(27 RU O5')-(27 RU C5') 290.0 310.0
 &rst     iat =   830,   831,   834,   835,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 28 ADE ALPHA:  (27 RU O3')-(28 RA P)-(28 RA O5')-(28 RA C5') 290.0 310.0
 &rst     iat =   860,   861,   864,   865,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 29 URA ALPHA:  (28 RA O3')-(29 RU P)-(29 RU O5')-(29 RU C5') 290.0 310.0
 &rst     iat =   893,   894,   897,   898,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 30 CYT ALPHA:  (29 RU O3')-(30 RC P)-(30 RC O5')-(30 RC C5') 290.0 310.0
 &rst     iat =   923,   924,   927,   928,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 31 CYT ALPHA:  (30 RC O3')-(31 RC3 P)-(31 RC3 O5')-(31 RC3 C5') 290.0 310.0
 &rst     iat =   954,   955,   958,   959,
   r1 = 289.0, r2 = 290.0, r3 = 310.0, r4 = 311.0,
 &end

# 2 GUA BETA:  (2 RG P)-(2 RG O5')-(2 RG C5')-(2 RG C4') 170.0 190.0
 &rst     iat =    33,    36,    37,    40,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 3 ADE BETA:  (3 RA P)-(3 RA O5')-(3 RA C5')-(3 RA C4') 170.0 190.0
 &rst     iat =    67,    70,    71,    74,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 4 URA BETA:  (4 RU P)-(4 RU O5')-(4 RU C5')-(4 RU C4') 170.0 190.0
 &rst     iat =   100,   103,   104,   107,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 5 ADE BETA:  (5 RA P)-(5 RA O5')-(5 RA C5')-(5 RA C4') 170.0 190.0
 &rst     iat =   130,   133,   134,   137,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 27 URA BETA:  (27 RU P)-(27 RU O5')-(27 RU C5')-(27 RU C4') 170.0 190.0
 &rst     iat =   831,   834,   835,   838,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 28 ADE BETA:  (28 RA P)-(28 RA O5')-(28 RA C5')-(28 RA C4') 170.0 190.0
 &rst     iat =   861,   864,   865,   868,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 29 URA BETA:  (29 RU P)-(29 RU O5')-(29 RU C5')-(29 RU C4') 170.0 190.0
 &rst     iat =   894,   897,   898,   901,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 30 CYT BETA:  (30 RC P)-(30 RC O5')-(30 RC C5')-(30 RC C4') 170.0 190.0
 &rst     iat =   924,   927,   928,   931,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 31 CYT BETA:  (31 RC3 P)-(31 RC3 O5')-(31 RC3 C5')-(31 RC3 C4') 170.0 190.0
 &rst     iat =   955,   958,   959,   962,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 2 GUA GAMMA:  (2 RG O5')-(2 RG C5')-(2 RG C4')-(2 RG C3')  40.0  60.0
 &rst     iat =    36,    37,    40,    60,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 3 ADE GAMMA:  (3 RA O5')-(3 RA C5')-(3 RA C4')-(3 RA C3')  40.0  60.0
 &rst     iat =    70,    71,    74,    93,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 4 URA GAMMA:  (4 RU O5')-(4 RU C5')-(4 RU C4')-(4 RU C3')  40.0  60.0
 &rst     iat =   103,   104,   107,   123,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 5 ADE GAMMA:  (5 RA O5')-(5 RA C5')-(5 RA C4')-(5 RA C3')  40.0  60.0
 &rst     iat =   133,   134,   137,   156,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 27 URA GAMMA:  (27 RU O5')-(27 RU C5')-(27 RU C4')-(27 RU C3')  40.0  60.0
 &rst     iat =   834,   835,   838,   854,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 28 ADE GAMMA:  (28 RA O5')-(28 RA C5')-(28 RA C4')-(28 RA C3')  40.0  60.0
 &rst     iat =   864,   865,   868,   887,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 29 URA GAMMA:  (29 RU O5')-(29 RU C5')-(29 RU C4')-(29 RU C3')  40.0  60.0
 &rst     iat =   897,   898,   901,   917,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 30 CYT GAMMA:  (30 RC O5')-(30 RC C5')-(30 RC C4')-(30 RC C3')  40.0  60.0
 &rst     iat =   927,   928,   931,   948,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 31 CYT GAMMA:  (31 RC3 O5')-(31 RC3 C5')-(31 RC3 C4')-(31 RC3 C3')  40.0  60.0
 &rst     iat =   958,   959,   962,   979,
   r1 =  39.0, r2 =  40.0, r3 =  60.0, r4 =  61.0,
 &end

# 1 GUA EPSLN:  (1 RG5 C4')-(1 RG5 C3')-(1 RG5 O3')-(2 RG P) 200.0 220.0
 &rst     iat =     6,    26,    32,    33,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 2 GUA EPSLN:  (2 RG C4')-(2 RG C3')-(2 RG O3')-(3 RA P) 200.0 220.0
 &rst     iat =    40,    60,    66,    67,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 3 ADE EPSLN:  (3 RA C4')-(3 RA C3')-(3 RA O3')-(4 RU P) 200.0 220.0
 &rst     iat =    74,    93,    99,   100,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 4 URA EPSLN:  (4 RU C4')-(4 RU C3')-(4 RU O3')-(5 RA P) 200.0 220.0
 &rst     iat =   107,   123,   129,   130,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 5 ADE EPSLN:  (5 RA C4')-(5 RA C3')-(5 RA O3')-(6 RU P) 200.0 220.0
 &rst     iat =   137,   156,   162,   163,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 27 URA EPSLN:  (27 RU C4')-(27 RU C3')-(27 RU O3')-(28 RA P) 200.0 220.0
 &rst     iat =   838,   854,   860,   861,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 28 ADE EPSLN:  (28 RA C4')-(28 RA C3')-(28 RA O3')-(29 RU P) 200.0 220.0
 &rst     iat =   868,   887,   893,   894,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 29 URA EPSLN:  (29 RU C4')-(29 RU C3')-(29 RU O3')-(30 RC P) 200.0 220.0
 &rst     iat =   901,   917,   923,   924,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 30 CYT EPSLN:  (30 RC C4')-(30 RC C3')-(30 RC O3')-(31 RC3 P) 200.0 220.0
 &rst     iat =   931,   948,   954,   955,
   r1 = 199.0, r2 = 200.0, r3 = 220.0, r4 = 221.0,
 &end

# 2 GUA ZETA:  (2 RG C3')-(2 RG O3')-(3 RA P)-(3 RA O5') 280.0 300.0
 &rst     iat =    60,    66,    67,    70,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 3 ADE ZETA:  (3 RA C3')-(3 RA O3')-(4 RU P)-(4 RU O5') 280.0 300.0
 &rst     iat =    93,    99,   100,   103,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 4 URA ZETA:  (4 RU C3')-(4 RU O3')-(5 RA P)-(5 RA O5') 280.0 300.0
 &rst     iat =   123,   129,   130,   133,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 5 ADE ZETA:  (5 RA C3')-(5 RA O3')-(6 RU P)-(6 RU O5') 280.0 300.0
 &rst     iat =   156,   162,   163,   166,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 27 URA ZETA:  (27 RU C3')-(27 RU O3')-(28 RA P)-(28 RA O5') 280.0 300.0
 &rst     iat =   854,   860,   861,   864,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 28 ADE ZETA:  (28 RA C3')-(28 RA O3')-(29 RU P)-(29 RU O5') 280.0 300.0
 &rst     iat =   887,   893,   894,   897,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 29 URA ZETA:  (29 RU C3')-(29 RU O3')-(30 RC P)-(30 RC O5') 280.0 300.0
 &rst     iat =   917,   923,   924,   927,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 30 CYT ZETA:  (30 RC C3')-(30 RC O3')-(31 RC3 P)-(31 RC3 O5') 280.0 300.0
 &rst     iat =   948,   954,   955,   958,
   r1 = 279.0, r2 = 280.0, r3 = 300.0, r4 = 301.0,
 &end

# 1 GUA CHI:  (1 RG5 O4')-(1 RG5 C1')-(1 RG5 N9)-(1 RG5 C4) 180.0 220.0
 &rst     iat =     8,     9,    11,    25,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 2 GUA CHI:  (2 RG O4')-(2 RG C1')-(2 RG N9)-(2 RG C4) 180.0 220.0
 &rst     iat =    42,    43,    45,    59,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 3 ADE CHI:  (3 RA O4')-(3 RA C1')-(3 RA N9)-(3 RA C4) 180.0 220.0
 &rst     iat =    76,    77,    79,    92,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 4 URA CHI:  (4 RU O4')-(4 RU C1')-(4 RU N1)-(4 RU C2) 180.0 220.0
 &rst     iat =   109,   110,   112,   121,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 5 ADE CHI:  (5 RA O4')-(5 RA C1')-(5 RA N9)-(5 RA C4) 180.0 220.0
 &rst     iat =   139,   140,   142,   155,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 27 URA CHI:  (27 RU O4')-(27 RU C1')-(27 RU N1)-(27 RU C2) 180.0 220.0
 &rst     iat =   840,   841,   843,   852,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 28 ADE CHI:  (28 RA O4')-(28 RA C1')-(28 RA N9)-(28 RA C4) 180.0 220.0
 &rst     iat =   870,   871,   873,   886,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 29 URA CHI:  (29 RU O4')-(29 RU C1')-(29 RU N1)-(29 RU C2) 180.0 220.0
 &rst     iat =   903,   904,   906,   915,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 30 CYT CHI:  (30 RC O4')-(30 RC C1')-(30 RC N1)-(30 RC C2) 180.0 220.0
 &rst     iat =   933,   934,   936,   946,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

# 31 CYT CHI:  (31 RC3 O4')-(31 RC3 C1')-(31 RC3 N1)-(31 RC3 C2) 180.0 220.0
 &rst     iat =   964,   965,   967,   977,
   r1 = 179.0, r2 = 180.0, r3 = 220.0, r4 = 221.0,
 &end

#
#  chirality for residue 1 atoms:  C2' O4' N9 H1'
 &rst iat=28,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  C3' C1' H2'1 O2'
 &rst iat=26,9,29,30, &end
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=32,28,6,27, &end
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=26,3,8,7, &end
#
#  chirality for residue 1 atoms:  C4' O5' H5'1 H5'2
 &rst iat=6,2,4,5, &end
#
#  chirality for residue 2 atoms:  C2' O4' N9 H1'
 &rst iat=62,42,45,44, &end
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 O2'
 &rst iat=60,43,63,64, &end
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=66,62,40,61, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=60,37,42,41, &end
#
#  chirality for residue 2 atoms:  C4' O5' H5'1 H5'2
 &rst iat=40,36,38,39, &end
#
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=95,76,79,78, &end
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 O2'
 &rst iat=93,77,96,97, &end
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=99,95,74,94, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=93,71,76,75, &end
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=74,70,72,73, &end
#
#  chirality for residue 4 atoms:  C2' O4' N1 H1'
 &rst iat=125,109,112,111, &end
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 O2'
 &rst iat=123,110,126,127, &end
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=129,125,107,124, &end
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=123,104,109,108, &end
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=107,103,105,106, &end
#
#  chirality for residue 5 atoms:  C2' O4' N9 H1'
 &rst iat=158,139,142,141, &end
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 O2'
 &rst iat=156,140,159,160, &end
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=162,158,137,157, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=156,134,139,138, &end
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=137,133,135,136, &end
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=188,172,175,174, &end
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 O2'
 &rst iat=186,173,189,190, &end
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=192,188,170,187, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=186,167,172,171, &end
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=170,166,168,169, &end
#
#  chirality for residue 7 atoms:  C2' O4' N9 H1'
 &rst iat=221,202,205,204, &end
#
#  chirality for residue 7 atoms:  C3' C1' H2'1 O2'
 &rst iat=219,203,222,223, &end
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=225,221,200,220, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=219,197,202,201, &end
#
#  chirality for residue 7 atoms:  C4' O5' H5'1 H5'2
 &rst iat=200,196,198,199, &end
#
#  chirality for residue 8 atoms:  C2' O4' N1 H1'
 &rst iat=251,235,238,237, &end
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 O2'
 &rst iat=249,236,252,253, &end
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=255,251,233,250, &end
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=249,230,235,234, &end
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=233,229,231,232, &end
#
#  chirality for residue 9 atoms:  C2' O4' N9 H1'
 &rst iat=285,265,268,267, &end
#
#  chirality for residue 9 atoms:  C3' C1' H2'1 O2'
 &rst iat=283,266,286,287, &end
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=289,285,263,284, &end
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=283,260,265,264, &end
#
#  chirality for residue 9 atoms:  C4' O5' H5'1 H5'2
 &rst iat=263,259,261,262, &end
#
#  chirality for residue 10 atoms:  C2' O4' N9 H1'
 &rst iat=318,299,302,301, &end
#
#  chirality for residue 10 atoms:  C3' C1' H2'1 O2'
 &rst iat=316,300,319,320, &end
#
#  chirality for residue 10 atoms:  O3' C2' C4' H3'
 &rst iat=322,318,297,317, &end
#
#  chirality for residue 10 atoms:  C3' C5' O4' H4'
 &rst iat=316,294,299,298, &end
#
#  chirality for residue 10 atoms:  C4' O5' H5'1 H5'2
 &rst iat=297,293,295,296, &end
#
#  chirality for residue 11 atoms:  C2' O4' N1 H1'
 &rst iat=348,332,335,334, &end
#
#  chirality for residue 11 atoms:  C3' C1' H2'1 O2'
 &rst iat=346,333,349,350, &end
#
#  chirality for residue 11 atoms:  O3' C2' C4' H3'
 &rst iat=352,348,330,347, &end
#
#  chirality for residue 11 atoms:  C3' C5' O4' H4'
 &rst iat=346,327,332,331, &end
#
#  chirality for residue 11 atoms:  C4' O5' H5'1 H5'2
 &rst iat=330,326,328,329, &end
#
#  chirality for residue 12 atoms:  C2' O4' N9 H1'
 &rst iat=381,362,365,364, &end
#
#  chirality for residue 12 atoms:  C3' C1' H2'1 O2'
 &rst iat=379,363,382,383, &end
#
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=385,381,360,380, &end
#
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=379,357,362,361, &end
#
#  chirality for residue 12 atoms:  C4' O5' H5'1 H5'2
 &rst iat=360,356,358,359, &end
#
#  chirality for residue 13 atoms:  C2' O4' N1 H1'
 &rst iat=412,395,398,397, &end
#
#  chirality for residue 13 atoms:  C3' C1' H2'1 O2'
 &rst iat=410,396,413,414, &end
#
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=416,412,393,411, &end
#
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=410,390,395,394, &end
#
#  chirality for residue 13 atoms:  C4' O5' H5'1 H5'2
 &rst iat=393,389,391,392, &end
#
#  chirality for residue 14 atoms:  C2' O4' N9 H1'
 &rst iat=445,426,429,428, &end
#
#  chirality for residue 14 atoms:  C3' C1' H2'1 O2'
 &rst iat=443,427,446,447, &end
#
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=449,445,424,444, &end
#
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=443,421,426,425, &end
#
#  chirality for residue 14 atoms:  C4' O5' H5'1 H5'2
 &rst iat=424,420,422,423, &end
#
#  chirality for residue 15 atoms:  C2' O4' N9 H1'
 &rst iat=478,459,462,461, &end
#
#  chirality for residue 15 atoms:  C3' C1' H2'1 O2'
 &rst iat=476,460,479,480, &end
#
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=482,478,457,477, &end
#
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=476,454,459,458, &end
#
#  chirality for residue 15 atoms:  C4' O5' H5'1 H5'2
 &rst iat=457,453,455,456, &end
#
#  chirality for residue 16 atoms:  C2' O4' N1 H1'
 &rst iat=508,492,495,494, &end
#
#  chirality for residue 16 atoms:  C3' C1' H2'1 O2'
 &rst iat=506,493,509,510, &end
#
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=512,508,490,507, &end
#
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=506,487,492,491, &end
#
#  chirality for residue 16 atoms:  C4' O5' H5'1 H5'2
 &rst iat=490,486,488,489, &end
#
#  chirality for residue 17 atoms:  C2' O4' N1 H1'
 &rst iat=538,522,525,524, &end
#
#  chirality for residue 17 atoms:  C3' C1' H2'1 O2'
 &rst iat=536,523,539,540, &end
#
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=542,538,520,537, &end
#
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=536,517,522,521, &end
#
#  chirality for residue 17 atoms:  C4' O5' H5'1 H5'2
 &rst iat=520,516,518,519, &end
#
#  chirality for residue 18 atoms:  C2' O4' N1 H1'
 &rst iat=568,552,555,554, &end
#
#  chirality for residue 18 atoms:  C3' C1' H2'1 O2'
 &rst iat=566,553,569,570, &end
#
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=572,568,550,567, &end
#
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=566,547,552,551, &end
#
#  chirality for residue 18 atoms:  C4' O5' H5'1 H5'2
 &rst iat=550,546,548,549, &end
#
#  chirality for residue 19 atoms:  C2' O4' N9 H1'
 &rst iat=602,582,585,584, &end
#
#  chirality for residue 19 atoms:  C3' C1' H2'1 O2'
 &rst iat=600,583,603,604, &end
#
#  chirality for residue 19 atoms:  O3' C2' C4' H3'
 &rst iat=606,602,580,601, &end
#
#  chirality for residue 19 atoms:  C3' C5' O4' H4'
 &rst iat=600,577,582,581, &end
#
#  chirality for residue 19 atoms:  C4' O5' H5'1 H5'2
 &rst iat=580,576,578,579, &end
#
#  chirality for residue 20 atoms:  C2' O4' N9 H1'
 &rst iat=635,616,619,618, &end
#
#  chirality for residue 20 atoms:  C3' C1' H2'1 O2'
 &rst iat=633,617,636,637, &end
#
#  chirality for residue 20 atoms:  O3' C2' C4' H3'
 &rst iat=639,635,614,634, &end
#
#  chirality for residue 20 atoms:  C3' C5' O4' H4'
 &rst iat=633,611,616,615, &end
#
#  chirality for residue 20 atoms:  C4' O5' H5'1 H5'2
 &rst iat=614,610,612,613, &end
#
#  chirality for residue 21 atoms:  C2' O4' N1 H1'
 &rst iat=665,649,652,651, &end
#
#  chirality for residue 21 atoms:  C3' C1' H2'1 O2'
 &rst iat=663,650,666,667, &end
#
#  chirality for residue 21 atoms:  O3' C2' C4' H3'
 &rst iat=669,665,647,664, &end
#
#  chirality for residue 21 atoms:  C3' C5' O4' H4'
 &rst iat=663,644,649,648, &end
#
#  chirality for residue 21 atoms:  C4' O5' H5'1 H5'2
 &rst iat=647,643,645,646, &end
#
#  chirality for residue 22 atoms:  C2' O4' N1 H1'
 &rst iat=696,679,682,681, &end
#
#  chirality for residue 22 atoms:  C3' C1' H2'1 O2'
 &rst iat=694,680,697,698, &end
#
#  chirality for residue 22 atoms:  O3' C2' C4' H3'
 &rst iat=700,696,677,695, &end
#
#  chirality for residue 22 atoms:  C3' C5' O4' H4'
 &rst iat=694,674,679,678, &end
#
#  chirality for residue 22 atoms:  C4' O5' H5'1 H5'2
 &rst iat=677,673,675,676, &end
#
#  chirality for residue 23 atoms:  C2' O4' N9 H1'
 &rst iat=729,710,713,712, &end
#
#  chirality for residue 23 atoms:  C3' C1' H2'1 O2'
 &rst iat=727,711,730,731, &end
#
#  chirality for residue 23 atoms:  O3' C2' C4' H3'
 &rst iat=733,729,708,728, &end
#
#  chirality for residue 23 atoms:  C3' C5' O4' H4'
 &rst iat=727,705,710,709, &end
#
#  chirality for residue 23 atoms:  C4' O5' H5'1 H5'2
 &rst iat=708,704,706,707, &end
#
#  chirality for residue 24 atoms:  C2' O4' N9 H1'
 &rst iat=763,743,746,745, &end
#
#  chirality for residue 24 atoms:  C3' C1' H2'1 O2'
 &rst iat=761,744,764,765, &end
#
#  chirality for residue 24 atoms:  O3' C2' C4' H3'
 &rst iat=767,763,741,762, &end
#
#  chirality for residue 24 atoms:  C3' C5' O4' H4'
 &rst iat=761,738,743,742, &end
#
#  chirality for residue 24 atoms:  C4' O5' H5'1 H5'2
 &rst iat=741,737,739,740, &end
#
#  chirality for residue 25 atoms:  C2' O4' N1 H1'
 &rst iat=793,777,780,779, &end
#
#  chirality for residue 25 atoms:  C3' C1' H2'1 O2'
 &rst iat=791,778,794,795, &end
#
#  chirality for residue 25 atoms:  O3' C2' C4' H3'
 &rst iat=797,793,775,792, &end
#
#  chirality for residue 25 atoms:  C3' C5' O4' H4'
 &rst iat=791,772,777,776, &end
#
#  chirality for residue 25 atoms:  C4' O5' H5'1 H5'2
 &rst iat=775,771,773,774, &end
#
#  chirality for residue 26 atoms:  C2' O4' N9 H1'
 &rst iat=826,807,810,809, &end
#
#  chirality for residue 26 atoms:  C3' C1' H2'1 O2'
 &rst iat=824,808,827,828, &end
#
#  chirality for residue 26 atoms:  O3' C2' C4' H3'
 &rst iat=830,826,805,825, &end
#
#  chirality for residue 26 atoms:  C3' C5' O4' H4'
 &rst iat=824,802,807,806, &end
#
#  chirality for residue 26 atoms:  C4' O5' H5'1 H5'2
 &rst iat=805,801,803,804, &end
#
#  chirality for residue 27 atoms:  C2' O4' N1 H1'
 &rst iat=856,840,843,842, &end
#
#  chirality for residue 27 atoms:  C3' C1' H2'1 O2'
 &rst iat=854,841,857,858, &end
#
#  chirality for residue 27 atoms:  O3' C2' C4' H3'
 &rst iat=860,856,838,855, &end
#
#  chirality for residue 27 atoms:  C3' C5' O4' H4'
 &rst iat=854,835,840,839, &end
#
#  chirality for residue 27 atoms:  C4' O5' H5'1 H5'2
 &rst iat=838,834,836,837, &end
#
#  chirality for residue 28 atoms:  C2' O4' N9 H1'
 &rst iat=889,870,873,872, &end
#
#  chirality for residue 28 atoms:  C3' C1' H2'1 O2'
 &rst iat=887,871,890,891, &end
#
#  chirality for residue 28 atoms:  O3' C2' C4' H3'
 &rst iat=893,889,868,888, &end
#
#  chirality for residue 28 atoms:  C3' C5' O4' H4'
 &rst iat=887,865,870,869, &end
#
#  chirality for residue 28 atoms:  C4' O5' H5'1 H5'2
 &rst iat=868,864,866,867, &end
#
#  chirality for residue 29 atoms:  C2' O4' N1 H1'
 &rst iat=919,903,906,905, &end
#
#  chirality for residue 29 atoms:  C3' C1' H2'1 O2'
 &rst iat=917,904,920,921, &end
#
#  chirality for residue 29 atoms:  O3' C2' C4' H3'
 &rst iat=923,919,901,918, &end
#
#  chirality for residue 29 atoms:  C3' C5' O4' H4'
 &rst iat=917,898,903,902, &end
#
#  chirality for residue 29 atoms:  C4' O5' H5'1 H5'2
 &rst iat=901,897,899,900, &end
#
#  chirality for residue 30 atoms:  C2' O4' N1 H1'
 &rst iat=950,933,936,935, &end
#
#  chirality for residue 30 atoms:  C3' C1' H2'1 O2'
 &rst iat=948,934,951,952, &end
#
#  chirality for residue 30 atoms:  O3' C2' C4' H3'
 &rst iat=954,950,931,949, &end
#
#  chirality for residue 30 atoms:  C3' C5' O4' H4'
 &rst iat=948,928,933,932, &end
#
#  chirality for residue 30 atoms:  C4' O5' H5'1 H5'2
 &rst iat=931,927,929,930, &end
#
#  chirality for residue 31 atoms:  C2' O4' N1 H1'
 &rst iat=981,964,967,966, &end
#
#  chirality for residue 31 atoms:  C3' C1' H2'1 O2'
 &rst iat=979,965,982,983, &end
#
#  chirality for residue 31 atoms:  O3' C2' C4' H3'
 &rst iat=985,981,962,980, &end
#
#  chirality for residue 31 atoms:  C3' C5' O4' H4'
 &rst iat=979,959,964,963, &end
#
#  chirality for residue 31 atoms:  C4' O5' H5'1 H5'2
 &rst iat=962,958,960,961, &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -4.842 -23.828   1.930
    2   2H5*    G   1          2H5*        G   1  -4.031 -23.976   0.372
    3    H4*    G   1           H4*        G   1  -3.091 -25.303   2.955
    4    H3*    G   1           H3*        G   1  -2.316 -22.694   1.626
    5    H2*    G   1           H2*        G   1  -0.055 -23.104   2.426
    6   2HO*    G   1          2HO*        G   1  -0.732 -24.064   4.427
    7    H1*    G   1           H1*        G   1   0.068 -25.587   1.484
    8    H8     G   1           H8         G   1  -2.333 -23.881  -0.818
    9    H1     G   1           H1         G   1   3.806 -22.337  -1.920
   10   1H2     G   1          1H2         G   1   4.407 -23.885   1.062
   11   2H2     G   1          2H2         G   1   5.021 -23.037  -0.278
   12    H5T    G   1           H5T        G   1  -4.297 -26.276   0.586
   13   1H5*    G   2          1H5*        G   2  -0.548 -22.785   5.444
   14   2H5*    G   2          2H5*        G   2  -0.648 -21.219   6.258
   15    H4*    G   2           H4*        G   2   1.675 -22.039   6.129
   16    H3*    G   2           H3*        G   2   1.086 -19.536   4.515
   17    H2*    G   2           H2*        G   2   3.482 -19.518   4.036
   18   2HO*    G   2          2HO*        G   2   4.006 -20.302   6.177
   19    H1*    G   2           H1*        G   2   3.614 -22.081   3.322
   20    H8     G   2           H8         G   2   0.182 -21.124   2.205
   21    H1     G   2           H1         G   2   4.848 -18.614  -1.438
   22   1H2     G   2          1H2         G   2   6.781 -18.884  -0.417
   23   2H2     G   2          2H2         G   2   6.893 -19.742   1.106
   24   1H5*    A   3          1H5*        A   3   4.625 -18.934   6.787
   25   2H5*    A   3          2H5*        A   3   4.692 -17.317   7.493
   26    H4*    A   3           H4*        A   3   6.696 -17.811   6.149
   27    H3*    A   3           H3*        A   3   4.919 -15.596   5.047
   28    H2*    A   3           H2*        A   3   6.667 -15.309   3.379
   29   2HO*    A   3          2HO*        A   3   8.367 -15.774   4.922
   30    H1*    A   3           H1*        A   3   6.825 -17.876   2.723
   31    H8     A   3           H8         A   3   3.223 -17.587   3.675
   32   1H6     A   3          1H6         A   3   2.336 -15.082  -1.927
   33   2H6     A   3          2H6         A   3   1.539 -15.675  -0.472
   34    H2     A   3           H2         A   3   6.685 -15.219  -1.182
   35   1H5*    U   4          1H5*        U   4   8.909 -14.174   5.066
   36   2H5*    U   4          2H5*        U   4   9.010 -12.488   5.596
   37    H4*    U   4           H4*        U   4  10.003 -12.806   3.359
   38    H3*    U   4           H3*        U   4   7.473 -11.117   3.390
   39    H2*    U   4           H2*        U   4   7.982 -10.726   1.038
   40   2HO*    U   4          2HO*        U   4  10.280 -10.692   1.401
   41    H1*    U   4           H1*        U   4   8.367 -13.317   0.451
   42    H3     U   4           H3         U   4   4.270 -11.920  -1.012
   43    H5     U   4           H5         U   4   3.617 -13.268   2.907
   44    H6     U   4           H6         U   4   5.990 -13.462   3.180
   45   1H5*    A   5          1H5*        A   5  10.445  -9.010   1.231
   46   2H5*    A   5          2H5*        A   5  10.411  -7.278   1.587
   47    H4*    A   5           H4*        A   5  10.231  -7.717  -0.826
   48    H3*    A   5           H3*        A   5   7.732  -6.485   0.408
   49    H2*    A   5           H2*        A   5   6.875  -6.414  -1.829
   50   2HO*    A   5          2HO*        A   5   8.973  -5.875  -2.738
   51    H1*    A   5           H1*        A   5   7.528  -8.933  -2.471
   52    H8     A   5           H8         A   5   6.744  -9.177   1.180
   53   1H6     A   5          1H6         A   5   0.812  -9.455  -0.592
   54   2H6     A   5          2H6         A   5   1.950  -9.708   0.722
   55    H2     A   5           H2         A   5   3.190  -7.959  -4.024
   56   1H5*    U   6          1H5*        U   6   8.621  -4.276  -3.114
   57   2H5*    U   6          2H5*        U   6   8.292  -2.561  -2.850
   58    H4*    U   6           H4*        U   6   6.994  -3.566  -4.736
   59    H3*    U   6           H3*        U   6   5.387  -2.421  -2.421
   60    H2*    U   6           H2*        U   6   3.466  -2.888  -3.761
   61   2HO*    U   6          2HO*        U   6   4.351  -2.220  -5.730
   62    H1*    U   6           H1*        U   6   4.235  -5.367  -4.568
   63    H3     U   6           H3         U   6   0.808  -5.737  -1.567
   64    H5     U   6           H5         U   6   4.300  -5.637   0.758
   65    H6     U   6           H6         U   6   5.558  -5.072  -1.199
   66   1H5*    A   7          1H5*        A   7   2.429   1.145  -4.508
   67   2H5*    A   7          2H5*        A   7   2.361  -0.060  -3.231
   68    H4*    A   7           H4*        A   7   1.390  -0.459  -6.095
   69    H3*    A   7           H3*        A   7   0.086   0.296  -3.500
   70    H2*    A   7           H2*        A   7  -1.718  -1.258  -3.833
   71   2HO*    A   7          2HO*        A   7  -1.727  -0.775  -6.172
   72    H1*    A   7           H1*        A   7  -0.234  -3.373  -4.497
   73    H8     A   7           H8         A   7   2.372  -1.899  -2.378
   74   1H6     A   7          1H6         A   7  -0.967  -3.534   2.580
   75   2H6     A   7          2H6         A   7   0.594  -3.030   1.967
   76    H2     A   7           H2         A   7  -3.629  -3.732  -0.985
   77   1H5*    U   8          1H5*        U   8  -3.292   0.112  -5.695
   78   2H5*    U   8          2H5*        U   8  -4.182   1.644  -5.580
   79    H4*    U   8           H4*        U   8  -5.551  -0.237  -4.778
   80    H3*    U   8           H3*        U   8  -4.564   1.670  -2.650
   81    H2*    U   8           H2*        U   8  -6.074   0.567  -1.120
   82   2HO*    U   8          2HO*        U   8  -7.718   0.053  -2.788
   83    H1*    U   8           H1*        U   8  -5.208  -1.818  -1.786
   84    H3     U   8           H3         U   8  -3.308  -0.424   2.180
   85    H5     U   8           H5         U   8  -0.610   0.670  -0.842
   86    H6     U   8           H6         U   8  -2.263   0.084  -2.457
   87   1H5*    G   9          1H5*        G   9  -9.528   3.523  -2.688
   88   2H5*    G   9          2H5*        G   9  -7.916   3.391  -2.004
   89    H4*    G   9           H4*        G   9 -10.459   2.104  -0.930
   90    H3*    G   9           H3*        G   9  -8.681   4.408  -0.182
   91    H2*    G   9           H2*        G   9  -8.801   3.858   2.160
   92   2HO*    G   9          2HO*        G   9 -11.092   3.250   1.915
   93    H1*    G   9           H1*        G   9  -8.328   1.258   1.915
   94    H8     G   9           H8         G   9  -6.414   2.532  -1.025
   95    H1     G   9           H1         G   9  -3.564   3.830   4.566
   96   1H2     G   9          1H2         G   9  -5.010   3.557   6.209
   97   2H2     G   9          2H2         G   9  -6.615   2.920   5.887
   98   1H5*    A  10          1H5*        A  10 -11.475   4.609   3.035
   99   2H5*    A  10          2H5*        A  10 -12.144   6.249   3.029
  100    H4*    A  10           H4*        A  10 -11.203   5.699   5.214
  101    H3*    A  10           H3*        A  10  -9.772   7.916   3.676
  102    H2*    A  10           H2*        A  10  -8.362   8.180   5.522
  103   2HO*    A  10          2HO*        A  10 -10.014   8.023   7.088
  104    H1*    A  10           H1*        A  10  -7.940   5.569   6.065
  105    H8     A  10           H8         A  10  -8.126   5.766   2.339
  106   1H6     A  10          1H6         A  10  -2.101   7.232   2.560
  107   2H6     A  10          2H6         A  10  -3.451   6.762   1.529
  108    H2     A  10           H2         A  10  -3.733   7.525   6.663
  109   1H5*    U  11          1H5*        U  11 -10.116  12.094   6.299
  110   2H5*    U  11          2H5*        U  11  -9.037  11.275   5.183
  111    H4*    U  11           H4*        U  11  -8.804  11.291   8.223
  112    H3*    U  11           H3*        U  11  -7.520  12.711   5.903
  113    H2*    U  11           H2*        U  11  -5.373  12.641   6.983
  114   2HO*    U  11          2HO*        U  11  -6.296  12.988   9.104
  115    H1*    U  11           H1*        U  11  -5.446  10.071   7.605
  116    H3     U  11           H3         U  11  -3.002  10.763   3.780
  117    H5     U  11           H5         U  11  -6.854   9.745   2.492
  118    H6     U  11           H6         U  11  -7.622   9.886   4.766
  119   1H5*    A  12          1H5*        A  12  -5.896  14.820   9.291
  120   2H5*    A  12          2H5*        A  12  -6.178  16.549   8.988
  121    H4*    A  12           H4*        A  12  -3.791  16.127   9.412
  122    H3*    A  12           H3*        A  12  -4.583  16.969   6.614
  123    H2*    A  12           H2*        A  12  -2.217  17.001   6.095
  124   2HO*    A  12          2HO*        A  12  -1.717  17.904   8.216
  125    H1*    A  12           H1*        A  12  -1.615  14.734   7.306
  126    H8     A  12           H8         A  12  -4.963  14.141   5.697
  127   1H6     A  12          1H6         A  12  -1.507  12.427   0.813
  128   2H6     A  12          2H6         A  12  -3.147  12.401   1.468
  129    H2     A  12           H2         A  12   1.113  14.451   3.668
  130   1H5*    C  13          1H5*        C  13  -1.110  19.285   7.626
  131   2H5*    C  13          2H5*        C  13  -1.505  20.992   7.234
  132    H4*    C  13           H4*        C  13   0.534  20.499   6.077
  133    H3*    C  13           H3*        C  13  -1.692  20.346   4.102
  134    H2*    C  13           H2*        C  13   0.242  20.245   2.570
  135   2HO*    C  13          2HO*        C  13   1.541  21.696   3.704
  136    H1*    C  13           H1*        C  13   1.494  18.317   3.914
  137   1H4     C  13          1H4         C  13  -2.452  15.417  -0.073
  138   2H4     C  13          2H4         C  13  -3.831  15.655   1.008
  139    H5     C  13           H5         C  13  -3.601  16.851   3.134
  140    H6     C  13           H6         C  13  -2.144  18.146   4.470
  141   1H5*    A  14          1H5*        A  14   1.418  23.228   3.007
  142   2H5*    A  14          2H5*        A  14   0.728  24.496   1.981
  143    H4*    A  14           H4*        A  14   2.649  23.285   0.897
  144    H3*    A  14           H3*        A  14   0.005  22.992  -0.487
  145    H2*    A  14           H2*        A  14   1.389  22.005  -2.221
  146   2HO*    A  14          2HO*        A  14   3.244  23.325  -1.976
  147    H1*    A  14           H1*        A  14   2.600  20.312  -0.539
  148    H8     A  14           H8         A  14  -0.766  20.503   1.076
  149   1H6     A  14          1H6         A  14  -2.673  16.797  -3.576
  150   2H6     A  14          2H6         A  14  -3.112  17.470  -1.987
  151    H2     A  14           H2         A  14   1.113  18.630  -4.781
  152   1H5*    A  15          1H5*        A  15  -0.322  26.098  -4.172
  153   2H5*    A  15          2H5*        A  15  -1.381  25.671  -2.816
  154    H4*    A  15           H4*        A  15  -2.363  25.187  -5.056
  155    H3*    A  15           H3*        A  15  -2.705  23.592  -2.932
  156    H2*    A  15           H2*        A  15  -0.677  22.332  -3.287
  157   2HO*    A  15          2HO*        A  15  -2.793  20.980  -3.377
  158    H1*    A  15           H1*        A  15  -1.576  22.054  -6.076
  159    H8     A  15           H8         A  15   1.487  22.630  -4.038
  160   1H6     A  15          1H6         A  15   4.290  18.726  -7.945
  161   2H6     A  15          2H6         A  15   4.513  19.745  -6.518
  162    H2     A  15           H2         A  15   0.115  19.344  -9.309
  163   1H5*    U  16          1H5*        U  16  -6.314  20.065  -5.612
  164   2H5*    U  16          2H5*        U  16  -5.101  19.206  -4.633
  165    H4*    U  16           H4*        U  16  -5.468  18.077  -6.802
  166    H3*    U  16           H3*        U  16  -2.855  19.491  -6.387
  167    H2*    U  16           H2*        U  16  -2.049  18.816  -8.497
  168   2HO*    U  16          2HO*        U  16  -3.147  16.613  -8.301
  169    H1*    U  16           H1*        U  16  -4.398  19.173  -9.797
  170    H3     U  16           H3         U  16  -3.811  23.326 -11.303
  171    H5     U  16           H5         U  16  -1.473  23.254  -7.850
  172    H6     U  16           H6         U  16  -2.260  21.043  -7.374
  173   1H5*    U  17          1H5*        U  17  -1.475  14.169  -6.776
  174   2H5*    U  17          2H5*        U  17  -1.097  15.754  -7.432
  175    H4*    U  17           H4*        U  17  -2.729  13.943  -9.192
  176    H3*    U  17           H3*        U  17  -0.026  13.223  -8.276
  177    H2*    U  17           H2*        U  17   0.918  13.099 -10.419
  178   2HO*    U  17          2HO*        U  17  -0.777  11.869 -11.328
  179    H1*    U  17           H1*        U  17  -0.308  15.131 -11.622
  180    H3     U  17           H3         U  17   3.535  17.347 -11.117
  181    H5     U  17           H5         U  17   2.776  15.820  -7.269
  182    H6     U  17           H6         U  17   0.773  14.958  -8.045
  183   1H5*    U  18          1H5*        U  18   1.634  12.237  -7.931
  184   2H5*    U  18          2H5*        U  18   1.853  11.435  -9.463
  185    H4*    U  18           H4*        U  18   2.801  10.177  -6.880
  186    H3*    U  18           H3*        U  18   3.800  12.597  -8.100
  187    H2*    U  18           H2*        U  18   5.724  11.884  -9.249
  188   2HO*    U  18          2HO*        U  18   6.560  10.853  -7.279
  189    H1*    U  18           H1*        U  18   5.119   9.337  -9.930
  190    H3     U  18           H3         U  18   2.626   9.925 -13.698
  191    H5     U  18           H5         U  18   2.902  13.753 -12.031
  192    H6     U  18           H6         U  18   3.911  12.827 -10.105
  193   1H5*    G  19          1H5*        G  19   6.545  12.200  -3.388
  194   2H5*    G  19          2H5*        G  19   4.864  11.706  -3.676
  195    H4*    G  19           H4*        G  19   5.707  14.256  -2.242
  196    H3*    G  19           H3*        G  19   4.732  11.594  -1.136
  197    H2*    G  19           H2*        G  19   3.897  12.929   0.699
  198   2HO*    G  19          2HO*        G  19   5.799  14.330   0.611
  199    H1*    G  19           H1*        G  19   2.846  14.854  -0.903
  200    H8     G  19           H8         G  19   0.647  14.055   0.256
  201    H1     G  19           H1         G  19   0.913   8.330  -2.647
  202   1H2     G  19          1H2         G  19   2.845   8.165  -3.804
  203   2H2     G  19          2H2         G  19   4.011   9.468  -3.752
  204   1H5*    A  20          1H5*        A  20   6.688  13.438   2.241
  205   2H5*    A  20          2H5*        A  20   7.556  12.128   3.067
  206    H4*    A  20           H4*        A  20   6.095  13.292   4.622
  207    H3*    A  20           H3*        A  20   5.182  10.419   4.037
  208    H2*    A  20           H2*        A  20   3.548  10.773   5.672
  209   2HO*    A  20          2HO*        A  20   4.878  11.907   7.133
  210    H1*    A  20           H1*        A  20   2.741  13.190   4.808
  211    H8     A  20           H8         A  20   3.810  11.292   1.737
  212   1H6     A  20          1H6         A  20  -2.016   9.132   1.720
  213   2H6     A  20          2H6         A  20  -0.558   9.247   0.766
  214    H2     A  20           H2         A  20  -1.259  11.017   5.626
  215   1H5*    U  21          1H5*        U  21   5.451   8.042   8.534
  216   2H5*    U  21          2H5*        U  21   4.495   7.975   7.055
  217    H4*    U  21           H4*        U  21   3.798   9.517   9.589
  218    H3*    U  21           H3*        U  21   2.870   6.998   8.221
  219    H2*    U  21           H2*        U  21   0.589   7.481   8.827
  220   2HO*    U  21          2HO*        U  21   1.259   8.391  10.911
  221    H1*    U  21           H1*        U  21   0.599  10.010   8.006
  222    H3     U  21           H3         U  21  -1.343   7.258   4.873
  223    H5     U  21           H5         U  21   2.651   7.767   3.672
  224    H6     U  21           H6         U  21   3.139   8.826   5.765
  225   1H5*    C  22          1H5*        C  22   0.552   6.969  11.704
  226   2H5*    C  22          2H5*        C  22   0.623   5.366  12.451
  227    H4*    C  22           H4*        C  22  -1.689   6.056  11.907
  228    H3*    C  22           H3*        C  22  -0.630   3.634  10.393
  229    H2*    C  22           H2*        C  22  -2.868   3.448   9.536
  230   2HO*    C  22          2HO*        C  22  -3.838   4.005  11.552
  231    H1*    C  22           H1*        C  22  -3.224   6.055   9.004
  232   1H4     C  22          1H4         C  22  -1.131   3.789   3.536
  233   2H4     C  22          2H4         C  22   0.526   4.166   3.976
  234    H5     C  22           H5         C  22   1.157   4.865   6.231
  235    H6     C  22           H6         C  22   0.291   5.490   8.397
  236   1H5*    A  23          1H5*        A  23  -4.418   2.644  12.330
  237   2H5*    A  23          2H5*        A  23  -4.356   0.970  12.911
  238    H4*    A  23           H4*        A  23  -6.273   1.384  11.396
  239    H3*    A  23           H3*        A  23  -4.162  -0.542  10.396
  240    H2*    A  23           H2*        A  23  -5.691  -0.930   8.536
  241   2HO*    A  23          2HO*        A  23  -7.594  -0.802   9.807
  242    H1*    A  23           H1*        A  23  -6.127   1.654   8.024
  243    H8     A  23           H8         A  23  -2.587   1.572   9.256
  244   1H6     A  23          1H6         A  23  -1.087  -0.170   3.515
  245   2H6     A  23          2H6         A  23  -0.478   0.291   5.102
  246    H2     A  23           H2         A  23  -5.490  -0.436   3.887
  247   1H5*    G  24          1H5*        G  24  -8.276  -2.134  10.134
  248   2H5*    G  24          2H5*        G  24  -8.288  -3.892  10.242
  249    H4*    G  24           H4*        G  24  -9.308  -2.865   8.129
  250    H3*    G  24           H3*        G  24  -7.127  -4.944   7.935
  251    H2*    G  24           H2*        G  24  -7.462  -4.839   5.534
  252   2HO*    G  24          2HO*        G  24  -9.721  -4.630   5.594
  253    H1*    G  24           H1*        G  24  -7.515  -2.181   5.366
  254    H8     G  24           H8         G  24  -4.890  -2.690   7.967
  255    H1     G  24           H1         G  24  -3.086  -4.419   2.039
  256   1H2     G  24          1H2         G  24  -6.473  -4.111   1.369
  257   2H2     G  24          2H2         G  24  -4.896  -4.500   0.738
  258   1H5*    U  25          1H5*        U  25 -10.428  -7.876   4.566
  259   2H5*    U  25          2H5*        U  25  -8.750  -8.293   4.902
  260    H4*    U  25           H4*        U  25  -9.680  -6.071   3.012
  261    H3*    U  25           H3*        U  25  -9.005  -8.941   2.674
  262    H2*    U  25           H2*        U  25  -7.406  -8.623   1.007
  263   2HO*    U  25          2HO*        U  25  -8.563  -6.928  -0.092
  264    H1*    U  25           H1*        U  25  -5.972  -6.669   2.144
  265    H3     U  25           H3         U  25  -4.937 -11.274   3.398
  266    H5     U  25           H5         U  25  -6.025  -8.979   6.728
  267    H6     U  25           H6         U  25  -6.721  -7.196   5.255
  268   1H5*    A  26          1H5*        A  26  -8.875  -9.843  -2.108
  269   2H5*    A  26          2H5*        A  26  -7.733  -9.121  -0.995
  270    H4*    A  26           H4*        A  26  -8.720  -7.818  -3.566
  271    H3*    A  26           H3*        A  26  -6.263  -9.467  -2.916
  272    H2*    A  26           H2*        A  26  -4.996  -8.048  -4.399
  273   2HO*    A  26          2HO*        A  26  -6.854  -7.873  -5.885
  274    H1*    A  26           H1*        A  26  -5.869  -5.740  -3.399
  275    H8     A  26           H8         A  26  -6.047  -8.058  -0.480
  276   1H6     A  26          1H6         A  26   0.013  -7.087   0.261
  277   2H6     A  26          2H6         A  26  -1.440  -7.806   0.950
  278    H2     A  26           H2         A  26  -1.147  -5.499  -3.717
  279   1H5*    U  27          1H5*        U  27  -6.072  -8.856  -7.029
  280   2H5*    U  27          2H5*        U  27  -5.601 -10.319  -7.902
  281    H4*    U  27           H4*        U  27  -4.059  -8.451  -8.355
  282    H3*    U  27           H3*        U  27  -2.823 -10.754  -6.801
  283    H2*    U  27           H2*        U  27  -0.735  -9.538  -7.114
  284   2HO*    U  27          2HO*        U  27  -1.277  -8.812  -9.232
  285    H1*    U  27           H1*        U  27  -1.712  -7.175  -6.297
  286    H3     U  27           H3         U  27   0.800  -9.095  -2.972
  287    H5     U  27           H5         U  27  -3.091 -10.563  -2.410
  288    H6     U  27           H6         U  27  -3.711  -9.572  -4.498
  289   1H5*    A  28          1H5*        A  28  -0.344  -9.883 -10.173
  290   2H5*    A  28          2H5*        A  28   0.265 -11.367 -10.920
  291    H4*    A  28           H4*        A  28   2.096  -9.840 -10.359
  292    H3*    A  28           H3*        A  28   2.052 -12.402  -8.736
  293    H2*    A  28           H2*        A  28   4.153 -11.614  -7.795
  294   2HO*    A  28          2HO*        A  28   4.829 -10.693  -9.848
  295    H1*    A  28           H1*        A  28   3.287  -9.167  -7.227
  296    H8     A  28           H8         A  28   0.178 -11.225  -6.849
  297   1H6     A  28          1H6         A  28   2.218 -12.548  -1.179
  298   2H6     A  28          2H6         A  28   0.865 -12.552  -2.270
  299    H2     A  28           H2         A  28   5.636 -10.902  -3.487
  300   1H5*    U  29          1H5*        U  29   5.996 -11.787 -10.142
  301   2H5*    U  29          2H5*        U  29   6.731 -13.289 -10.718
  302    H4*    U  29           H4*        U  29   8.091 -12.231  -8.938
  303    H3*    U  29           H3*        U  29   6.810 -14.900  -8.252
  304    H2*    U  29           H2*        U  29   8.033 -14.759  -6.158
  305   2HO*    U  29          2HO*        U  29   9.877 -13.777  -7.271
  306    H1*    U  29           H1*        U  29   7.414 -12.212  -5.634
  307    H3     U  29           H3         U  29   4.849 -14.702  -2.835
  308    H5     U  29           H5         U  29   2.638 -14.488  -6.376
  309    H6     U  29           H6         U  29   4.540 -13.513  -7.439
  310   1H5*    C  30          1H5*        C  30  10.724 -15.209  -6.971
  311   2H5*    C  30          2H5*        C  30  11.463 -16.711  -7.536
  312    H4*    C  30           H4*        C  30  11.660 -16.598  -5.127
  313    H3*    C  30           H3*        C  30   9.624 -18.654  -6.082
  314    H2*    C  30           H2*        C  30   9.464 -19.298  -3.771
  315   2HO*    C  30          2HO*        C  30  11.802 -18.977  -3.504
  316    H1*    C  30           H1*        C  30   9.346 -16.819  -2.760
  317   1H4     C  30          1H4         C  30   3.272 -18.159  -3.456
  318   2H4     C  30          2H4         C  30   3.282 -17.583  -5.113
  319    H5     C  30           H5         C  30   5.343 -17.010  -6.285
  320    H6     C  30           H6         C  30   7.721 -16.727  -6.034
  321   1H5*    C  31          1H5*        C  31  12.216 -20.661  -3.477
  322   2H5*    C  31          2H5*        C  31  12.761 -22.182  -4.206
  323    H4*    C  31           H4*        C  31  11.761 -22.742  -2.082
  324    H3*    C  31           H3*        C  31   9.878 -23.326  -4.415
  325    H2*    C  31           H2*        C  31   8.447 -24.366  -2.804
  326   2HO*    C  31          2HO*        C  31  10.343 -25.284  -1.665
  327    H1*    C  31           H1*        C  31   8.737 -22.389  -0.922
  328   1H4     C  31          1H4         C  31   3.464 -21.037  -4.064
  329   2H4     C  31          2H4         C  31   4.366 -20.318  -5.395
  330    H5     C  31           H5         C  31   6.797 -20.349  -5.511
  331    H6     C  31           H6         C  31   8.806 -21.034  -4.375
  332    H3T    C  31           H3T        C  31  11.814 -24.530  -4.374
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  -4.708 -20.411   8.237
    2   2H5*    G   1          2H5*        G   1  -5.340 -21.014   6.699
    3    H4*    G   1           H4*        G   1  -3.132 -22.375   8.314
    4    H3*    G   1           H3*        G   1  -3.048 -20.363   6.065
    5    H2*    G   1           H2*        G   1  -1.103 -21.524   5.191
    6   2HO*    G   1          2HO*        G   1  -0.241 -22.024   7.320
    7    H1*    G   1           H1*        G   1  -2.226 -23.959   5.305
    8    H8     G   1           H8         G   1  -5.197 -21.744   4.773
    9    H1     G   1           H1         G   1  -1.546 -22.390  -0.467
   10   1H2     G   1          1H2         G   1   0.405 -23.298   0.097
   11   2H2     G   1          2H2         G   1   0.751 -23.769   1.750
   12    H5T    G   1           H5T        G   1  -5.841 -22.980   7.829
   13   1H5*    G   2          1H5*        G   2   0.907 -20.812   7.268
   14   2H5*    G   2          2H5*        G   2   1.716 -19.244   7.446
   15    H4*    G   2           H4*        G   2   2.957 -20.738   5.931
   16    H3*    G   2           H3*        G   2   1.737 -18.288   4.635
   17    H2*    G   2           H2*        G   2   2.906 -18.991   2.614
   18   2HO*    G   2          2HO*        G   2   4.774 -19.756   3.830
   19    H1*    G   2           H1*        G   2   2.107 -21.557   2.753
   20    H8     G   2           H8         G   2  -0.849 -19.778   4.178
   21    H1     G   2           H1         G   2  -0.191 -18.876  -2.147
   22   1H2     G   2          1H2         G   2   1.827 -19.530  -2.789
   23   2H2     G   2          2H2         G   2   2.956 -20.252  -1.658
   24   1H5*    A   3          1H5*        A   3   5.769 -18.589   3.390
   25   2H5*    A   3          2H5*        A   3   6.597 -17.023   3.428
   26    H4*    A   3           H4*        A   3   6.794 -18.098   1.216
   27    H3*    A   3           H3*        A   3   5.163 -15.541   1.285
   28    H2*    A   3           H2*        A   3   5.011 -15.765  -1.126
   29   2HO*    A   3          2HO*        A   3   7.217 -16.603  -1.299
   30    H1*    A   3           H1*        A   3   4.327 -18.366  -1.107
   31    H8     A   3           H8         A   3   2.721 -17.096   2.036
   32   1H6     A   3          1H6         A   3  -1.788 -14.879  -1.578
   33   2H6     A   3          2H6         A   3  -1.274 -15.185   0.074
   34    H2     A   3           H2         A   3   1.602 -16.086  -4.197
   35   1H5*    U   4          1H5*        U   4   7.860 -15.239  -1.900
   36   2H5*    U   4          2H5*        U   4   8.564 -13.620  -2.051
   37    H4*    U   4           H4*        U   4   7.418 -14.312  -4.122
   38    H3*    U   4           H3*        U   4   6.064 -12.012  -2.663
   39    H2*    U   4           H2*        U   4   4.674 -11.877  -4.658
   40   2HO*    U   4          2HO*        U   4   6.447 -12.432  -6.099
   41    H1*    U   4           H1*        U   4   4.167 -14.532  -4.731
   42    H3     U   4           H3         U   4   0.521 -12.284  -3.162
   43    H5     U   4           H5         U   4   2.861 -13.063   0.237
   44    H6     U   4           H6         U   4   4.626 -13.834  -1.214
   45   1H5*    A   5          1H5*        A   5   6.573 -10.911  -6.654
   46   2H5*    A   5          2H5*        A   5   7.153  -9.245  -6.810
   47    H4*    A   5           H4*        A   5   5.158  -9.614  -8.169
   48    H3*    A   5           H3*        A   5   4.756  -7.698  -5.850
   49    H2*    A   5           H2*        A   5   2.555  -7.338  -6.663
   50   2HO*    A   5          2HO*        A   5   3.185  -7.283  -8.897
   51    H1*    A   5           H1*        A   5   1.978  -9.943  -7.165
   52    H8     A   5           H8         A   5   4.130 -10.056  -4.080
   53   1H6     A   5          1H6         A   5  -1.120  -8.991  -0.958
   54   2H6     A   5          2H6         A   5   0.558  -9.492  -0.826
   55    H2     A   5           H2         A   5  -1.861  -8.072  -5.239
   56   1H5*    U   6          1H5*        U   6   3.588  -3.210  -7.857
   57   2H5*    U   6          2H5*        U   6   3.237  -4.173  -6.412
   58    H4*    U   6           H4*        U   6   1.529  -4.052  -8.940
   59    H3*    U   6           H3*        U   6   1.496  -2.794  -6.222
   60    H2*    U   6           H2*        U   6  -0.873  -3.075  -6.007
   61   2HO*    U   6          2HO*        U   6  -1.388  -2.519  -8.168
   62    H1*    U   6           H1*        U   6  -0.959  -5.627  -6.874
   63    H3     U   6           H3         U   6  -1.270  -5.348  -2.274
   64    H5     U   6           H5         U   6   2.764  -6.115  -3.158
   65    H6     U   6           H6         U   6   2.292  -5.719  -5.488
   66   1H5*    A   7          1H5*        A   7  -1.447   1.261  -6.084
   67   2H5*    A   7          2H5*        A   7  -0.724   0.059  -5.005
   68    H4*    A   7           H4*        A   7  -3.538  -0.035  -6.188
   69    H3*    A   7           H3*        A   7  -2.243   0.420  -3.512
   70    H2*    A   7           H2*        A   7  -4.087  -0.619  -2.366
   71   2HO*    A   7          2HO*        A   7  -5.605  -0.097  -4.403
   72    H1*    A   7           H1*        A   7  -3.791  -2.841  -3.791
   73    H8     A   7           H8         A   7  -0.353  -1.862  -4.368
   74   1H6     A   7          1H6         A   7   0.864  -3.019   1.602
   75   2H6     A   7          2H6         A   7   1.571  -2.793   0.009
   76    H2     A   7           H2         A   7  -3.536  -2.724   1.113
   77   1H5*    U   8          1H5*        U   8  -5.937   3.367  -1.945
   78   2H5*    U   8          2H5*        U   8  -4.432   2.455  -1.822
   79    H4*    U   8           H4*        U   8  -7.114   1.540  -0.682
   80    H3*    U   8           H3*        U   8  -4.740   3.026   0.428
   81    H2*    U   8           H2*        U   8  -4.990   1.821   2.524
   82   2HO*    U   8          2HO*        U   8  -7.348   1.836   2.355
   83    H1*    U   8           H1*        U   8  -5.180  -0.604   1.377
   84    H3     U   8           H3         U   8  -0.877   0.219   2.930
   85    H5     U   8           H5         U   8  -0.867   0.898  -1.212
   86    H6     U   8           H6         U   8  -3.274   0.850  -1.180
   87   1H5*    G   9          1H5*        G   9  -7.407   3.059   3.685
   88   2H5*    G   9          2H5*        G   9  -7.633   4.742   4.225
   89    H4*    G   9           H4*        G   9  -6.889   3.351   6.112
   90    H3*    G   9           H3*        G   9  -4.848   5.268   4.979
   91    H2*    G   9           H2*        G   9  -3.410   4.748   6.845
   92   2HO*    G   9          2HO*        G   9  -5.707   3.917   8.041
   93    H1*    G   9           H1*        G   9  -3.666   2.139   6.491
   94    H8     G   9           H8         G   9  -4.018   3.483   2.978
   95    H1     G   9           H1         G   9   2.019   3.342   5.091
   96   1H2     G   9          1H2         G   9   2.054   3.071   7.273
   97   2H2     G   9          2H2         G   9   0.592   2.849   8.203
   98   1H5*    A  10          1H5*        A  10  -5.801   8.225   9.081
   99   2H5*    A  10          2H5*        A  10  -4.825   7.673   7.712
  100    H4*    A  10           H4*        A  10  -4.088   7.529  10.663
  101    H3*    A  10           H3*        A  10  -3.256   9.192   8.280
  102    H2*    A  10           H2*        A  10  -0.984   9.182   8.992
  103   2HO*    A  10          2HO*        A  10  -1.453   9.449  11.240
  104    H1*    A  10           H1*        A  10  -0.827   6.559   9.501
  105    H8     A  10           H8         A  10  -3.393   6.728   6.771
  106   1H6     A  10          1H6         A  10   1.365   6.784   2.811
  107   2H6     A  10          2H6         A  10  -0.381   6.641   2.970
  108    H2     A  10           H2         A  10   2.964   7.457   6.901
  109   1H5*    U  11          1H5*        U  11  -1.011  13.412  10.361
  110   2H5*    U  11          2H5*        U  11  -0.985  12.579   8.804
  111    H4*    U  11           H4*        U  11   0.940  12.169  11.128
  112    H3*    U  11           H3*        U  11   0.885  13.457   8.423
  113    H2*    U  11           H2*        U  11   3.103  12.721   7.888
  114   2HO*    U  11          2HO*        U  11   3.877  13.055  10.091
  115    H1*    U  11           H1*        U  11   2.756  10.185   8.623
  116    H3     U  11           H3         U  11   2.198  10.673   4.066
  117    H5     U  11           H5         U  11  -1.649  10.669   5.740
  118    H6     U  11           H6         U  11  -0.641  10.805   7.921
  119   1H5*    A  12          1H5*        A  12   4.583  15.292   9.789
  120   2H5*    A  12          2H5*        A  12   4.393  17.022   9.427
  121    H4*    A  12           H4*        A  12   6.346  16.155   8.243
  122    H3*    A  12           H3*        A  12   4.000  16.542   6.377
  123    H2*    A  12           H2*        A  12   5.741  16.349   4.628
  124   2HO*    A  12          2HO*        A  12   7.504  17.112   6.290
  125    H1*    A  12           H1*        A  12   6.456  14.010   5.681
  126    H8     A  12           H8         A  12   2.823  14.276   6.633
  127   1H6     A  12          1H6         A  12   1.624  12.297   0.865
  128   2H6     A  12          2H6         A  12   0.923  12.550   2.456
  129    H2     A  12           H2         A  12   5.895  13.416   1.081
  130   1H5*    C  13          1H5*        C  13   8.290  18.089   4.628
  131   2H5*    C  13          2H5*        C  13   8.270  19.867   4.465
  132    H4*    C  13           H4*        C  13   8.469  18.905   2.249
  133    H3*    C  13           H3*        C  13   5.691  19.951   2.694
  134    H2*    C  13           H2*        C  13   5.342  19.329   0.378
  135   2HO*    C  13          2HO*        C  13   7.326  20.071  -0.421
  136    H1*    C  13           H1*        C  13   6.646  16.934   0.501
  137   1H4     C  13          1H4         C  13   0.635  15.320   1.554
  138   2H4     C  13          2H4         C  13   0.734  15.823   3.231
  139    H5     C  13           H5         C  13   2.700  16.973   4.145
  140    H6     C  13           H6         C  13   4.917  17.773   3.624
  141   1H5*    A  14          1H5*        A  14   5.036  23.064  -1.386
  142   2H5*    A  14          2H5*        A  14   4.163  21.928  -0.347
  143    H4*    A  14           H4*        A  14   5.510  21.253  -3.003
  144    H3*    A  14           H3*        A  14   2.712  21.587  -1.959
  145    H2*    A  14           H2*        A  14   1.867  19.823  -3.352
  146   2HO*    A  14          2HO*        A  14   3.394  20.084  -5.161
  147    H1*    A  14           H1*        A  14   3.663  18.124  -2.500
  148    H8     A  14           H8         A  14   3.694  20.182   0.582
  149   1H6     A  14          1H6         A  14  -1.806  17.628   1.919
  150   2H6     A  14          2H6         A  14  -0.476  18.587   2.553
  151    H2     A  14           H2         A  14  -0.853  16.675  -2.294
  152   1H5*    A  15          1H5*        A  15   1.562  22.335  -7.171
  153   2H5*    A  15          2H5*        A  15   1.088  22.180  -5.473
  154    H4*    A  15           H4*        A  15   1.192  19.811  -7.406
  155    H3*    A  15           H3*        A  15  -0.522  21.798  -7.883
  156    H2*    A  15           H2*        A  15  -0.835  22.171  -5.503
  157   2HO*    A  15          2HO*        A  15  -2.889  21.630  -7.059
  158    H1*    A  15           H1*        A  15  -1.710  19.258  -5.372
  159    H8     A  15           H8         A  15   0.622  21.640  -3.476
  160   1H6     A  15          1H6         A  15  -3.011  20.586   1.442
  161   2H6     A  15          2H6         A  15  -1.604  21.474   0.869
  162    H2     A  15           H2         A  15  -4.447  18.107  -1.929
  163   1H5*    U  16          1H5*        U  16  -3.076  17.583  -6.976
  164   2H5*    U  16          2H5*        U  16  -4.207  17.622  -8.338
  165    H4*    U  16           H4*        U  16  -5.418  16.742  -6.433
  166    H3*    U  16           H3*        U  16  -6.075  19.598  -7.191
  167    H2*    U  16           H2*        U  16  -7.355  19.921  -5.363
  168   2HO*    U  16          2HO*        U  16  -8.521  17.848  -6.110
  169    H1*    U  16           H1*        U  16  -6.324  17.829  -3.688
  170    H3     U  16           H3         U  16  -6.639  21.638  -1.150
  171    H5     U  16           H5         U  16  -3.936  22.606  -4.230
  172    H6     U  16           H6         U  16  -4.262  20.439  -5.126
  173   1H5*    U  17          1H5*        U  17  -7.422  14.319  -8.770
  174   2H5*    U  17          2H5*        U  17  -7.565  15.121  -7.204
  175    H4*    U  17           H4*        U  17  -4.979  13.777  -8.008
  176    H3*    U  17           H3*        U  17  -7.449  12.368  -7.733
  177    H2*    U  17           H2*        U  17  -7.593  11.787  -5.486
  178   2HO*    U  17          2HO*        U  17  -5.380  10.697  -6.092
  179    H1*    U  17           H1*        U  17  -5.715  13.340  -4.209
  180    H3     U  17           H3         U  17  -8.552  16.500  -2.638
  181    H5     U  17           H5         U  17 -10.741  14.568  -5.655
  182    H6     U  17           H6         U  17  -8.750  13.374  -6.270
  183   1H5*    U  18          1H5*        U  18  -2.483  10.918  -8.704
  184   2H5*    U  18          2H5*        U  18  -3.121  11.988  -7.453
  185    H4*    U  18           H4*        U  18  -1.616  13.109  -9.835
  186    H3*    U  18           H3*        U  18  -0.563  11.355  -7.796
  187    H2*    U  18           H2*        U  18   0.585  12.813  -6.378
  188   2HO*    U  18          2HO*        U  18   1.891  13.611  -8.089
  189    H1*    U  18           H1*        U  18  -0.743  15.172  -6.697
  190    H3     U  18           H3         U  18  -3.705  14.769  -3.329
  191    H5     U  18           H5         U  18  -2.558  10.805  -4.118
  192    H6     U  18           H6         U  18  -1.300  11.595  -5.989
  193   1H5*    G  19          1H5*        G  19   4.225  10.584  -7.619
  194   2H5*    G  19          2H5*        G  19   2.771  10.515  -6.615
  195    H4*    G  19           H4*        G  19   4.772  12.818  -6.639
  196    H3*    G  19           H3*        G  19   4.295  10.487  -4.754
  197    H2*    G  19           H2*        G  19   5.219  11.928  -3.028
  198   2HO*    G  19          2HO*        G  19   6.804  12.868  -4.505
  199    H1*    G  19           H1*        G  19   3.727  14.078  -3.804
  200    H8     G  19           H8         G  19   3.033  13.581  -1.285
  201    H1     G  19           H1         G  19  -0.299   8.413  -3.123
  202   1H2     G  19          1H2         G  19   1.180   9.015  -6.238
  203   2H2     G  19          2H2         G  19   0.115   7.985  -5.301
  204   1H5*    A  20          1H5*        A  20   8.474  11.448  -3.752
  205   2H5*    A  20          2H5*        A  20   9.256   9.858  -3.658
  206    H4*    A  20           H4*        A  20   9.625  11.127  -1.604
  207    H3*    A  20           H3*        A  20   7.841   8.687  -1.263
  208    H2*    A  20           H2*        A  20   7.921   9.172   1.092
  209   2HO*    A  20          2HO*        A  20  10.169   9.837   1.038
  210    H1*    A  20           H1*        A  20   7.401  11.805   0.838
  211    H8     A  20           H8         A  20   5.500  10.266  -2.013
  212   1H6     A  20          1H6         A  20   1.125   8.960   2.203
  213   2H6     A  20          2H6         A  20   1.469   9.034   0.486
  214    H2     A  20           H2         A  20   4.814  10.136   4.352
  215   1H5*    U  21          1H5*        U  21  10.909   8.506   1.693
  216   2H5*    U  21          2H5*        U  21  11.459   6.831   1.883
  217    H4*    U  21           H4*        U  21  10.645   7.844   4.008
  218    H3*    U  21           H3*        U  21   9.077   5.461   2.954
  219    H2*    U  21           H2*        U  21   7.856   5.596   5.027
  220   2HO*    U  21          2HO*        U  21   9.758   6.068   6.293
  221    H1*    U  21           H1*        U  21   7.590   8.290   5.033
  222    H3     U  21           H3         U  21   3.502   6.455   4.244
  223    H5     U  21           H5         U  21   5.329   6.670   0.471
  224    H6     U  21           H6         U  21   7.390   7.323   1.538
  225   1H5*    C  22          1H5*        C  22  10.396   4.724   7.022
  226   2H5*    C  22          2H5*        C  22  10.824   3.013   7.230
  227    H4*    C  22           H4*        C  22   9.074   3.757   8.832
  228    H3*    C  22           H3*        C  22   8.208   1.657   6.805
  229    H2*    C  22           H2*        C  22   6.155   1.571   8.025
  230   2HO*    C  22          2HO*        C  22   7.056   1.716  10.114
  231    H1*    C  22           H1*        C  22   5.841   4.258   8.238
  232   1H4     C  22          1H4         C  22   2.816   2.532   2.932
  233   2H4     C  22          2H4         C  22   4.288   2.715   2.002
  234    H5     C  22           H5         C  22   6.437   3.279   3.011
  235    H6     C  22           H6         C  22   7.571   3.716   5.085
  236   1H5*    A  23          1H5*        A  23   6.835  -2.281  10.054
  237   2H5*    A  23          2H5*        A  23   6.324  -1.611   8.493
  238    H4*    A  23           H4*        A  23   5.206  -0.862  11.229
  239    H3*    A  23           H3*        A  23   4.304  -2.499   8.870
  240    H2*    A  23           H2*        A  23   2.089  -1.630   9.041
  241   2HO*    A  23          2HO*        A  23   2.242  -1.580  11.435
  242    H1*    A  23           H1*        A  23   2.776   0.967   9.190
  243    H8     A  23           H8         A  23   5.646  -0.160   7.264
  244   1H6     A  23          1H6         A  23   1.965  -0.335   2.263
  245   2H6     A  23          2H6         A  23   3.641  -0.303   2.815
  246    H2     A  23           H2         A  23  -0.596  -0.303   5.876
  247   1H5*    G  24          1H5*        G  24   0.663  -2.205  11.871
  248   2H5*    G  24          2H5*        G  24   0.478  -3.925  12.156
  249    H4*    G  24           H4*        G  24  -1.632  -3.812  11.577
  250    H3*    G  24           H3*        G  24  -0.531  -4.091   9.098
  251    H2*    G  24           H2*        G  24  -0.101  -1.843   8.726
  252   2HO*    G  24          2HO*        G  24  -2.640  -2.495   7.672
  253    H1*    G  24           H1*        G  24  -2.874  -1.088   9.669
  254    H8     G  24           H8         G  24   0.790  -0.327   9.288
  255    H1     G  24           H1         G  24  -2.740   4.808  10.766
  256   1H2     G  24          1H2         G  24  -4.864   4.185  11.075
  257   2H2     G  24          2H2         G  24  -5.339   2.501  11.030
  258   1H5*    U  25          1H5*        U  25  -5.225  -3.625   9.822
  259   2H5*    U  25          2H5*        U  25  -6.395  -4.957   9.759
  260    H4*    U  25           H4*        U  25  -6.997  -3.257   8.122
  261    H3*    U  25           H3*        U  25  -5.869  -5.758   6.840
  262    H2*    U  25           H2*        U  25  -6.561  -4.761   4.747
  263   2HO*    U  25          2HO*        U  25  -8.538  -3.848   5.528
  264    H1*    U  25           H1*        U  25  -5.544  -2.323   5.325
  265    H3     U  25           H3         U  25  -2.387  -3.793   2.471
  266    H5     U  25           H5         U  25  -1.641  -5.965   5.980
  267    H6     U  25           H6         U  25  -3.667  -5.058   6.912
  268   1H5*    A  26          1H5*        A  26  -9.007  -8.233   4.196
  269   2H5*    A  26          2H5*        A  26  -7.388  -7.999   3.532
  270    H4*    A  26           H4*        A  26  -9.818  -6.197   3.245
  271    H3*    A  26           H3*        A  26  -7.977  -7.862   1.587
  272    H2*    A  26           H2*        A  26  -7.856  -6.296  -0.211
  273   2HO*    A  26          2HO*        A  26 -10.173  -5.733   0.024
  274    H1*    A  26           H1*        A  26  -7.421  -4.123   1.278
  275    H8     A  26           H8         A  26  -5.957  -6.557   3.598
  276   1H6     A  26          1H6         A  26  -0.893  -6.607   0.033
  277   2H6     A  26          2H6         A  26  -1.557  -7.027   1.603
  278    H2     A  26           H2         A  26  -4.210  -4.765  -2.296
  279   1H5*    U  27          1H5*        U  27 -10.432  -6.760  -1.383
  280   2H5*    U  27          2H5*        U  27 -11.017  -8.145  -2.326
  281    H4*    U  27           H4*        U  27  -9.777  -6.573  -3.759
  282    H3*    U  27           H3*        U  27  -8.435  -9.247  -3.283
  283    H2*    U  27           H2*        U  27  -6.772  -8.523  -4.897
  284   2HO*    U  27          2HO*        U  27  -8.398  -7.458  -6.233
  285    H1*    U  27           H1*        U  27  -6.456  -6.048  -3.839
  286    H3     U  27           H3         U  27  -2.853  -8.640  -2.707
  287    H5     U  27           H5         U  27  -5.681  -9.266   0.334
  288    H6     U  27           H6         U  27  -7.288  -8.066  -0.993
  289   1H5*    A  28          1H5*        A  28  -8.370  -8.725  -7.491
  290   2H5*    A  28          2H5*        A  28  -8.869 -10.230  -8.285
  291    H4*    A  28           H4*        A  28  -6.718  -9.523  -9.168
  292    H3*    A  28           H3*        A  28  -6.508 -11.976  -7.381
  293    H2*    A  28           H2*        A  28  -4.190 -12.042  -8.088
  294   2HO*    A  28          2HO*        A  28  -4.766 -11.324 -10.285
  295    H1*    A  28           H1*        A  28  -3.738  -9.407  -7.661
  296    H8     A  28           H8         A  28  -6.235 -10.401  -5.021
  297   1H6     A  28          1H6         A  28  -1.364 -12.462  -1.786
  298   2H6     A  28          2H6         A  28  -3.076 -12.086  -1.729
  299    H2     A  28           H2         A  28  -0.022 -11.694  -5.954
  300   1H5*    U  29          1H5*        U  29  -4.414 -12.849 -10.844
  301   2H5*    U  29          2H5*        U  29  -4.666 -14.515 -11.387
  302    H4*    U  29           H4*        U  29  -2.283 -14.034 -11.034
  303    H3*    U  29           H3*        U  29  -3.414 -16.035  -9.039
  304    H2*    U  29           H2*        U  29  -1.086 -16.311  -8.390
  305   2HO*    U  29          2HO*        U  29  -0.268 -16.086 -10.561
  306    H1*    U  29           H1*        U  29  -0.605 -13.661  -8.198
  307    H3     U  29           H3         U  29  -1.128 -15.371  -3.984
  308    H5     U  29           H5         U  29  -4.992 -14.301  -5.242
  309    H6     U  29           H6         U  29  -4.122 -13.917  -7.450
  310   1H5*    C  30          1H5*        C  30   0.008 -17.625 -10.874
  311   2H5*    C  30          2H5*        C  30  -0.141 -19.361 -11.207
  312    H4*    C  30           H4*        C  30   1.853 -18.856  -9.840
  313    H3*    C  30           H3*        C  30  -0.301 -20.455  -8.395
  314    H2*    C  30           H2*        C  30   1.371 -20.664  -6.637
  315   2HO*    C  30          2HO*        C  30   3.116 -20.747  -8.310
  316    H1*    C  30           H1*        C  30   1.990 -18.032  -6.620
  317   1H4     C  30          1H4         C  30  -2.684 -18.432  -2.425
  318   2H4     C  30          2H4         C  30  -3.861 -18.003  -3.656
  319    H5     C  30           H5         C  30  -3.290 -17.909  -6.049
  320    H6     C  30           H6         C  30  -1.487 -18.053  -7.638
  321   1H5*    C  31          1H5*        C  31   3.323 -22.334  -7.762
  322   2H5*    C  31          2H5*        C  31   3.210 -24.074  -8.094
  323    H4*    C  31           H4*        C  31   4.095 -23.767  -5.844
  324    H3*    C  31           H3*        C  31   1.194 -24.684  -5.890
  325    H2*    C  31           H2*        C  31   1.451 -25.003  -3.511
  326   2HO*    C  31          2HO*        C  31   3.685 -25.789  -3.766
  327    H1*    C  31           H1*        C  31   2.696 -22.596  -3.127
  328   1H4     C  31          1H4         C  31  -3.453 -21.564  -2.131
  329   2H4     C  31          2H4         C  31  -3.722 -21.235  -3.837
  330    H5     C  31           H5         C  31  -1.962 -21.523  -5.532
  331    H6     C  31           H6         C  31   0.337 -22.163  -5.881
  332    H3T    C  31           H3T        C  31   2.697 -26.129  -6.814
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  -5.355 -22.517   8.646
    2   2H5*    G   1          2H5*        G   1  -5.358 -20.776   8.996
    3    H4*    G   1           H4*        G   1  -3.426 -21.747  10.056
    4    H3*    G   1           H3*        G   1  -2.740 -20.144   7.576
    5    H2*    G   1           H2*        G   1  -0.427 -20.478   8.180
    6   2HO*    G   1          2HO*        G   1  -0.802 -20.303  10.467
    7    H1*    G   1           H1*        G   1  -0.664 -23.112   8.553
    8    H8     G   1           H8         G   1  -3.251 -22.620   5.937
    9    H1     G   1           H1         G   1   2.713 -21.895   3.667
   10   1H2     G   1          1H2         G   1   3.633 -21.832   6.964
   11   2H2     G   1          2H2         G   1   4.097 -21.724   5.324
   12    H5T    G   1           H5T        G   1  -4.513 -20.403   6.924
   13   1H5*    G   2          1H5*        G   2  -0.363 -18.687  10.674
   14   2H5*    G   2          2H5*        G   2  -0.306 -16.918  10.678
   15    H4*    G   2           H4*        G   2   1.948 -17.894  10.648
   16    H3*    G   2           H3*        G   2   1.163 -16.392   8.137
   17    H2*    G   2           H2*        G   2   3.469 -16.775   7.421
   18   2HO*    G   2          2HO*        G   2   4.270 -16.518   9.625
   19    H1*    G   2           H1*        G   2   3.479 -19.382   8.009
   20    H8     G   2           H8         G   2  -0.068 -18.895   6.979
   21    H1     G   2           H1         G   2   4.062 -18.570   2.060
   22   1H2     G   2          1H2         G   2   6.124 -18.378   2.842
   23   2H2     G   2          2H2         G   2   6.447 -18.430   4.576
   24   1H5*    A   3          1H5*        A   3   5.026 -15.127   9.293
   25   2H5*    A   3          2H5*        A   3   5.201 -13.372   9.211
   26    H4*    A   3           H4*        A   3   6.959 -14.518   7.925
   27    H3*    A   3           H3*        A   3   4.987 -12.876   6.301
   28    H2*    A   3           H2*        A   3   6.357 -13.415   4.383
   29   2HO*    A   3          2HO*        A   3   8.340 -13.279   5.695
   30    H1*    A   3           H1*        A   3   6.551 -16.031   4.895
   31    H8     A   3           H8         A   3   3.133 -15.249   6.170
   32   1H6     A   3          1H6         A   3   1.300 -15.462   0.251
   33   2H6     A   3          2H6         A   3   0.781 -15.381   1.938
   34    H2     A   3           H2         A   3   5.728 -15.348   0.306
   35   1H5*    U   4          1H5*        U   4   8.822 -11.877   4.965
   36   2H5*    U   4          2H5*        U   4   9.023 -10.138   4.730
   37    H4*    U   4           H4*        U   4   9.526 -11.404   2.676
   38    H3*    U   4           H3*        U   4   7.052  -9.640   2.486
   39    H2*    U   4           H2*        U   4   7.086 -10.261   0.132
   40   2HO*    U   4          2HO*        U   4   9.417 -10.260   0.030
   41    H1*    U   4           H1*        U   4   7.392 -12.893   0.592
   42    H3     U   4           H3         U   4   3.066 -11.931  -0.620
   43    H5     U   4           H5         U   4   3.147 -11.680   3.572
   44    H6     U   4           H6         U   4   5.540 -11.845   3.502
   45   1H5*    A   5          1H5*        A   5   9.542  -8.874  -0.810
   46   2H5*    A   5          2H5*        A   5   9.650  -7.149  -1.171
   47    H4*    A   5           H4*        A   5   8.982  -8.441  -3.145
   48    H3*    A   5           H3*        A   5   6.849  -6.546  -2.101
   49    H2*    A   5           H2*        A   5   5.514  -7.186  -3.943
   50   2HO*    A   5          2HO*        A   5   7.218  -7.210  -5.474
   51    H1*    A   5           H1*        A   5   5.971  -9.849  -3.750
   52    H8     A   5           H8         A   5   5.941  -8.688  -0.185
   53   1H6     A   5          1H6         A   5  -0.239  -9.015  -0.606
   54   2H6     A   5          2H6         A   5   1.130  -8.870   0.499
   55    H2     A   5           H2         A   5   1.411  -9.175  -4.704
   56   1H5*    U   6          1H5*        U   6   5.959  -3.007  -5.551
   57   2H5*    U   6          2H5*        U   6   5.096  -3.871  -4.278
   58    H4*    U   6           H4*        U   6   5.094  -4.546  -7.260
   59    H3*    U   6           H3*        U   6   3.119  -3.498  -5.238
   60    H2*    U   6           H2*        U   6   1.321  -4.495  -6.538
   61   2HO*    U   6          2HO*        U   6   2.870  -4.473  -8.601
   62    H1*    U   6           H1*        U   6   2.470  -6.879  -6.344
   63    H3     U   6           H3         U   6  -0.483  -5.931  -2.849
   64    H5     U   6           H5         U   6   3.421  -5.513  -1.345
   65    H6     U   6           H6         U   6   4.270  -5.673  -3.579
   66   1H5*    A   7          1H5*        A   7   0.967  -0.567  -8.735
   67   2H5*    A   7          2H5*        A   7   1.050  -1.342  -7.158
   68    H4*    A   7           H4*        A   7  -0.853  -2.108  -9.411
   69    H3*    A   7           H3*        A   7  -1.033  -0.290  -7.028
   70    H2*    A   7           H2*        A   7  -3.080  -1.190  -6.277
   71   2HO*    A   7          2HO*        A   7  -3.991  -1.222  -8.418
   72    H1*    A   7           H1*        A   7  -2.619  -3.796  -6.728
   73    H8     A   7           H8         A   7   0.787  -2.716  -5.698
   74   1H6     A   7          1H6         A   7  -1.311  -3.080   0.131
   75   2H6     A   7          2H6         A   7   0.130  -2.983  -0.883
   76    H2     A   7           H2         A   7  -4.787  -3.158  -2.582
   77   1H5*    U   8          1H5*        U   8  -4.759   2.811  -7.103
   78   2H5*    U   8          2H5*        U   8  -3.659   2.034  -5.966
   79    H4*    U   8           H4*        U   8  -6.495   1.129  -6.637
   80    H3*    U   8           H3*        U   8  -5.153   2.618  -4.396
   81    H2*    U   8           H2*        U   8  -6.567   1.500  -2.778
   82   2HO*    U   8          2HO*        U   8  -8.417   1.538  -4.224
   83    H1*    U   8           H1*        U   8  -6.130  -0.969  -3.718
   84    H3     U   8           H3         U   8  -3.318   0.069  -0.126
   85    H5     U   8           H5         U   8  -1.074   0.526  -3.642
   86    H6     U   8           H6         U   8  -3.114   0.352  -4.923
   87   1H5*    G   9          1H5*        G   9  -9.192   2.825  -3.118
   88   2H5*    G   9          2H5*        G   9  -9.570   4.529  -2.787
   89    H4*    G   9           H4*        G   9  -9.953   3.140  -0.794
   90    H3*    G   9           H3*        G   9  -7.550   4.965  -0.634
   91    H2*    G   9           H2*        G   9  -7.499   4.422   1.738
   92   2HO*    G   9          2HO*        G   9  -9.841   4.132   1.985
   93    H1*    G   9           H1*        G   9  -7.522   1.844   1.237
   94    H8     G   9           H8         G   9  -5.819   3.128  -1.849
   95    H1     G   9           H1         G   9  -2.068   3.317   3.359
   96   1H2     G   9          1H2         G   9  -3.271   3.050   5.157
   97   2H2     G   9          2H2         G   9  -4.989   2.771   5.072
   98   1H5*    A  10          1H5*        A  10 -10.504   7.745   2.713
   99   2H5*    A  10          2H5*        A  10  -8.987   7.274   1.948
  100    H4*    A  10           H4*        A  10  -9.938   6.413   4.709
  101    H3*    A  10           H3*        A  10  -8.009   8.480   3.670
  102    H2*    A  10           H2*        A  10  -6.448   7.953   5.432
  103   2HO*    A  10          2HO*        A  10  -7.034   6.405   7.047
  104    H1*    A  10           H1*        A  10  -6.520   5.325   5.149
  105    H8     A  10           H8         A  10  -7.217   6.394   1.647
  106   1H6     A  10          1H6         A  10  -1.055   6.736   1.055
  107   2H6     A  10          2H6         A  10  -2.594   6.815   0.202
  108    H2     A  10           H2         A  10  -1.989   6.354   5.344
  109   1H5*    U  11          1H5*        U  11  -7.820   8.858   7.768
  110   2H5*    U  11          2H5*        U  11  -8.025  10.537   8.259
  111    H4*    U  11           H4*        U  11  -5.895   9.591   9.117
  112    H3*    U  11           H3*        U  11  -5.918  11.879   7.167
  113    H2*    U  11           H2*        U  11  -3.587  11.889   7.014
  114   2HO*    U  11          2HO*        U  11  -3.349  11.968   9.310
  115    H1*    U  11           H1*        U  11  -3.089   9.212   7.560
  116    H3     U  11           H3         U  11  -1.017   9.765   3.622
  117    H5     U  11           H5         U  11  -5.105   9.833   2.627
  118    H6     U  11           H6         U  11  -5.636   9.770   4.995
  119   1H5*    A  12          1H5*        A  12  -4.257  15.594   8.075
  120   2H5*    A  12          2H5*        A  12  -3.977  14.122   7.143
  121    H4*    A  12           H4*        A  12  -1.915  15.316   9.038
  122    H3*    A  12           H3*        A  12  -2.540  15.925   6.146
  123    H2*    A  12           H2*        A  12  -0.137  16.220   5.798
  124   2HO*    A  12          2HO*        A  12   0.095  17.138   8.000
  125    H1*    A  12           H1*        A  12   0.547  13.969   6.976
  126    H8     A  12           H8         A  12  -2.874  13.323   5.579
  127   1H6     A  12          1H6         A  12   0.117  11.646   0.410
  128   2H6     A  12          2H6         A  12  -1.436  11.566   1.234
  129    H2     A  12           H2         A  12   3.015  13.616   3.074
  130   1H5*    C  13          1H5*        C  13   0.532  18.536   7.385
  131   2H5*    C  13          2H5*        C  13  -0.002  20.204   7.030
  132    H4*    C  13           H4*        C  13   2.189  19.951   6.087
  133    H3*    C  13           H3*        C  13   0.117  19.617   3.931
  134    H2*    C  13           H2*        C  13   1.992  19.924   2.431
  135   2HO*    C  13          2HO*        C  13   3.192  21.411   3.845
  136    H1*    C  13           H1*        C  13   3.423  18.074   3.707
  137   1H4     C  13          1H4         C  13  -0.010  14.782  -0.459
  138   2H4     C  13          2H4         C  13  -1.391  14.758   0.626
  139    H5     C  13           H5         C  13  -1.408  15.989   2.747
  140    H6     C  13           H6         C  13  -0.158  17.380   4.182
  141   1H5*    A  14          1H5*        A  14   1.498  24.488   2.554
  142   2H5*    A  14          2H5*        A  14   0.736  22.895   2.361
  143    H4*    A  14           H4*        A  14   3.462  23.694   1.268
  144    H3*    A  14           H3*        A  14   0.760  23.217   0.006
  145    H2*    A  14           H2*        A  14   1.983  22.403  -1.945
  146   2HO*    A  14          2HO*        A  14   3.670  24.052  -1.622
  147    H1*    A  14           H1*        A  14   3.698  20.876  -0.491
  148    H8     A  14           H8         A  14   0.460  20.521   1.363
  149   1H6     A  14          1H6         A  14  -1.013  16.302  -2.927
  150   2H6     A  14          2H6         A  14  -1.420  17.000  -1.361
  151    H2     A  14           H2         A  14   2.621  18.419  -4.310
  152   1H5*    A  15          1H5*        A  15   3.167  24.806  -2.999
  153   2H5*    A  15          2H5*        A  15   2.354  26.110  -3.864
  154    H4*    A  15           H4*        A  15   3.191  24.209  -5.312
  155    H3*    A  15           H3*        A  15   0.972  25.688  -5.742
  156    H2*    A  15           H2*        A  15  -0.425  24.302  -4.374
  157   2HO*    A  15          2HO*        A  15  -1.033  24.361  -6.889
  158    H1*    A  15           H1*        A  15   0.727  22.015  -5.909
  159    H8     A  15           H8         A  15   0.000  22.868  -2.310
  160   1H6     A  15          1H6         A  15  -3.936  18.051  -2.525
  161   2H6     A  15          2H6         A  15  -3.365  19.384  -1.500
  162    H2     A  15           H2         A  15  -1.652  18.267  -6.322
  163   1H5*    U  16          1H5*        U  16  -0.526  23.059 -10.522
  164   2H5*    U  16          2H5*        U  16  -1.794  23.105  -9.276
  165    H4*    U  16           H4*        U  16  -1.901  21.003 -10.498
  166    H3*    U  16           H3*        U  16  -0.924  20.985  -7.716
  167    H2*    U  16           H2*        U  16  -0.247  18.675  -7.729
  168   2HO*    U  16          2HO*        U  16  -1.938  18.523  -9.937
  169    H1*    U  16           H1*        U  16   0.914  18.694 -10.089
  170    H3     U  16           H3         U  16   4.974  20.501  -9.146
  171    H5     U  16           H5         U  16   2.668  20.947  -5.671
  172    H6     U  16           H6         U  16   0.757  20.470  -6.911
  173   1H5*    U  17          1H5*        U  17  -3.767  16.794  -9.886
  174   2H5*    U  17          2H5*        U  17  -4.873  16.415  -8.574
  175    H4*    U  17           H4*        U  17  -1.865  16.055  -8.299
  176    H3*    U  17           H3*        U  17  -3.521  14.564 -10.114
  177    H2*    U  17           H2*        U  17  -3.941  12.578  -8.942
  178   2HO*    U  17          2HO*        U  17  -1.736  12.098  -8.844
  179    H1*    U  17           H1*        U  17  -3.601  13.248  -6.318
  180    H3     U  17           H3         U  17  -7.924  14.257  -5.352
  181    H5     U  17           H5         U  17  -7.737  14.584  -9.530
  182    H6     U  17           H6         U  17  -5.391  14.205  -9.419
  183   1H5*    U  18          1H5*        U  18   0.996  11.730  -9.493
  184   2H5*    U  18          2H5*        U  18   0.482  13.243  -8.780
  185    H4*    U  18           H4*        U  18   2.966  13.157 -10.505
  186    H3*    U  18           H3*        U  18   2.591  11.853  -7.949
  187    H2*    U  18           H2*        U  18   3.724  13.296  -6.477
  188   2HO*    U  18          2HO*        U  18   5.636  13.184  -7.783
  189    H1*    U  18           H1*        U  18   3.436  15.711  -7.660
  190    H3     U  18           H3         U  18  -0.185  17.028  -5.369
  191    H5     U  18           H5         U  18  -0.468  12.842  -5.303
  192    H6     U  18           H6         U  18   1.379  12.733  -6.753
  193   1H5*    G  19          1H5*        G  19   6.387  10.027  -5.542
  194   2H5*    G  19          2H5*        G  19   4.646  10.247  -5.357
  195    H4*    G  19           H4*        G  19   6.719  12.368  -4.675
  196    H3*    G  19           H3*        G  19   5.283  10.284  -3.008
  197    H2*    G  19           H2*        G  19   5.325  11.863  -1.185
  198   2HO*    G  19          2HO*        G  19   7.498  12.584  -1.830
  199    H1*    G  19           H1*        G  19   4.566  13.988  -2.682
  200    H8     G  19           H8         G  19   2.983  13.379  -0.502
  201    H1     G  19           H1         G  19  -0.296   9.338  -4.267
  202   1H2     G  19          1H2         G  19   0.870   8.967  -6.168
  203   2H2     G  19          2H2         G  19   2.436   9.704  -6.413
  204   1H5*    A  20          1H5*        A  20   8.428  11.544  -0.173
  205   2H5*    A  20          2H5*        A  20   9.186  10.003   0.280
  206    H4*    A  20           H4*        A  20   8.532  11.208   2.286
  207    H3*    A  20           H3*        A  20   6.915   8.684   1.721
  208    H2*    A  20           H2*        A  20   5.794   9.045   3.756
  209   2HO*    A  20          2HO*        A  20   7.675   9.648   4.937
  210    H1*    A  20           H1*        A  20   5.407  11.717   3.464
  211    H8     A  20           H8         A  20   5.068  10.322   0.000
  212   1H6     A  20          1H6         A  20  -0.673   8.655   1.676
  213   2H6     A  20          2H6         A  20   0.462   8.787   0.341
  214    H2     A  20           H2         A  20   1.479   9.943   5.304
  215   1H5*    U  21          1H5*        U  21   7.626   5.447   5.470
  216   2H5*    U  21          2H5*        U  21   6.388   5.874   4.295
  217    H4*    U  21           H4*        U  21   6.508   6.796   7.202
  218    H3*    U  21           H3*        U  21   4.874   4.902   5.523
  219    H2*    U  21           H2*        U  21   2.943   5.297   6.884
  220   2HO*    U  21          2HO*        U  21   4.082   5.734   8.910
  221    H1*    U  21           H1*        U  21   3.109   7.896   6.561
  222    H3     U  21           H3         U  21   0.303   5.879   3.457
  223    H5     U  21           H5         U  21   3.946   6.680   1.508
  224    H6     U  21           H6         U  21   4.939   7.237   3.610
  225   1H5*    C  22          1H5*        C  22   4.172   2.031   9.676
  226   2H5*    C  22          2H5*        C  22   3.911   2.554   8.019
  227    H4*    C  22           H4*        C  22   2.039   3.107  10.364
  228    H3*    C  22           H3*        C  22   2.061   1.094   8.084
  229    H2*    C  22           H2*        C  22  -0.294   1.246   7.976
  230   2HO*    C  22          2HO*        C  22  -0.666   1.292  10.229
  231    H1*    C  22           H1*        C  22  -0.464   3.934   8.107
  232   1H4     C  22          1H4         C  22   0.001   2.765   1.920
  233   2H4     C  22          2H4         C  22   1.747   2.806   2.022
  234    H5     C  22           H5         C  22   2.942   3.059   4.107
  235    H6     C  22           H6         C  22   2.699   3.322   6.503
  236   1H5*    A  23          1H5*        A  23  -1.024  -2.799   9.681
  237   2H5*    A  23          2H5*        A  23  -0.508  -1.993   8.194
  238    H4*    A  23           H4*        A  23  -2.912  -1.229   9.900
  239    H3*    A  23           H3*        A  23  -2.509  -2.581   7.229
  240    H2*    A  23           H2*        A  23  -4.410  -1.473   6.420
  241   2HO*    A  23          2HO*        A  23  -5.486  -1.474   8.583
  242    H1*    A  23           H1*        A  23  -3.616   0.989   7.063
  243    H8     A  23           H8         A  23  -0.362  -0.424   6.921
  244   1H6     A  23          1H6         A  23  -0.689  -0.517   0.726
  245   2H6     A  23          2H6         A  23   0.400  -0.659   2.118
  246    H2     A  23           H2         A  23  -4.796  -0.148   2.358
  247   1H5*    G  24          1H5*        G  24  -6.302  -1.909   6.746
  248   2H5*    G  24          2H5*        G  24  -7.416  -1.743   8.097
  249    H4*    G  24           H4*        G  24  -8.844  -3.462   6.824
  250    H3*    G  24           H3*        G  24  -6.799  -3.794   5.106
  251    H2*    G  24           H2*        G  24  -6.222  -1.644   4.638
  252   2HO*    G  24          2HO*        G  24  -8.125  -2.456   2.782
  253    H1*    G  24           H1*        G  24  -8.910  -0.526   4.251
  254    H8     G  24           H8         G  24  -5.480  -0.191   5.686
  255    H1     G  24           H1         G  24  -9.170   4.867   6.980
  256   1H2     G  24          1H2         G  24 -11.269   4.455   6.356
  257   2H2     G  24          2H2         G  24 -11.708   2.911   5.651
  258   1H5*    U  25          1H5*        U  25 -11.274  -4.004   3.022
  259   2H5*    U  25          2H5*        U  25 -12.001  -5.607   2.773
  260    H4*    U  25           H4*        U  25 -11.633  -4.584   0.599
  261    H3*    U  25           H3*        U  25  -9.657  -6.784   1.246
  262    H2*    U  25           H2*        U  25  -8.736  -6.465  -0.932
  263   2HO*    U  25          2HO*        U  25 -10.718  -6.293  -2.027
  264    H1*    U  25           H1*        U  25  -8.888  -3.721  -0.946
  265    H3     U  25           H3         U  25  -4.427  -4.406  -0.770
  266    H5     U  25           H5         U  25  -5.718  -5.391   3.084
  267    H6     U  25           H6         U  25  -8.003  -5.105   2.345
  268   1H5*    A  26          1H5*        A  26 -10.158 -10.010  -2.786
  269   2H5*    A  26          2H5*        A  26  -8.871  -9.191  -1.906
  270    H4*    A  26           H4*        A  26 -10.024  -8.319  -4.593
  271    H3*    A  26           H3*        A  26  -7.561  -9.810  -3.700
  272    H2*    A  26           H2*        A  26  -6.247  -8.675  -5.369
  273   2HO*    A  26          2HO*        A  26  -8.057  -8.749  -6.922
  274    H1*    A  26           H1*        A  26  -7.146  -6.215  -4.820
  275    H8     A  26           H8         A  26  -7.380  -7.924  -1.506
  276   1H6     A  26          1H6         A  26  -1.367  -6.613  -0.822
  277   2H6     A  26          2H6         A  26  -2.832  -7.147  -0.021
  278    H2     A  26           H2         A  26  -2.419  -5.960  -5.076
  279   1H5*    U  27          1H5*        U  27  -7.160 -10.130  -7.719
  280   2H5*    U  27          2H5*        U  27  -6.796 -11.796  -8.203
  281    H4*    U  27           H4*        U  27  -5.032 -10.284  -8.953
  282    H3*    U  27           H3*        U  27  -4.142 -12.131  -6.704
  283    H2*    U  27           H2*        U  27  -1.935 -11.247  -7.179
  284   2HO*    U  27          2HO*        U  27  -2.252 -11.127  -9.468
  285    H1*    U  27           H1*        U  27  -2.714  -8.680  -7.170
  286    H3     U  27           H3         U  27  -0.607  -9.697  -3.222
  287    H5     U  27           H5         U  27  -4.661 -10.555  -2.569
  288    H6     U  27           H6         U  27  -5.056 -10.245  -4.928
  289   1H5*    A  28          1H5*        A  28  -1.505 -12.718 -10.041
  290   2H5*    A  28          2H5*        A  28  -1.156 -14.445 -10.253
  291    H4*    A  28           H4*        A  28   0.917 -13.169 -10.142
  292    H3*    A  28           H3*        A  28   0.453 -14.956  -7.720
  293    H2*    A  28           H2*        A  28   2.652 -14.245  -7.020
  294   2HO*    A  28          2HO*        A  28   3.449 -14.245  -9.247
  295    H1*    A  28           H1*        A  28   2.242 -11.631  -7.417
  296    H8     A  28           H8         A  28  -1.177 -12.864  -6.480
  297   1H6     A  28          1H6         A  28   0.683 -12.474  -0.604
  298   2H6     A  28          2H6         A  28  -0.686 -12.646  -1.695
  299    H2     A  28           H2         A  28   4.284 -12.123  -3.190
  300   1H5*    U  29          1H5*        U  29   4.342 -15.596  -9.124
  301   2H5*    U  29          2H5*        U  29   4.822 -17.295  -9.063
  302    H4*    U  29           H4*        U  29   6.368 -15.862  -7.790
  303    H3*    U  29           H3*        U  29   4.764 -17.796  -6.047
  304    H2*    U  29           H2*        U  29   6.218 -16.995  -4.283
  305   2HO*    U  29          2HO*        U  29   8.087 -16.839  -5.617
  306    H1*    U  29           H1*        U  29   5.887 -14.398  -4.841
  307    H3     U  29           H3         U  29   3.411 -15.514  -1.160
  308    H5     U  29           H5         U  29   0.879 -16.226  -4.425
  309    H6     U  29           H6         U  29   2.742 -15.865  -5.907
  310   1H5*    C  30          1H5*        C  30   8.869 -18.172  -5.232
  311   2H5*    C  30          2H5*        C  30   9.361 -19.853  -4.998
  312    H4*    C  30           H4*        C  30   9.975 -18.443  -3.069
  313    H3*    C  30           H3*        C  30   7.845 -20.554  -2.467
  314    H2*    C  30           H2*        C  30   8.141 -19.848  -0.170
  315   2HO*    C  30          2HO*        C  30  10.472 -19.481  -0.556
  316    H1*    C  30           H1*        C  30   7.955 -17.220  -0.697
  317   1H4     C  30          1H4         C  30   1.983 -18.958   0.255
  318   2H4     C  30          2H4         C  30   1.725 -19.113  -1.483
  319    H5     C  30           H5         C  30   3.568 -19.042  -3.082
  320    H6     C  30           H6         C  30   5.913 -18.653  -3.328
  321   1H5*    C  31          1H5*        C  31  10.766 -20.760   0.476
  322   2H5*    C  31          2H5*        C  31  11.328 -22.422   0.687
  323    H4*    C  31           H4*        C  31  10.634 -21.551   2.851
  324    H3*    C  31           H3*        C  31   8.675 -23.549   1.644
  325    H2*    C  31           H2*        C  31   7.562 -23.492   3.775
  326   2HO*    C  31          2HO*        C  31   9.624 -23.340   4.954
  327    H1*    C  31           H1*        C  31   7.614 -20.776   3.971
  328   1H4     C  31          1H4         C  31   2.098 -22.095   1.293
  329   2H4     C  31          2H4         C  31   2.814 -22.007  -0.315
  330    H5     C  31           H5         C  31   5.220 -21.823  -0.684
  331    H6     C  31           H6         C  31   7.346 -21.559   0.395
  332    H3T    C  31           H3T        C  31  10.747 -24.361   2.102
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  -6.403 -22.750   6.996
    2   2H5*    G   1          2H5*        G   1  -7.168 -23.847   8.171
    3    H4*    G   1           H4*        G   1  -5.377 -23.263   9.824
    4    H3*    G   1           H3*        G   1  -4.386 -21.602   7.496
    5    H2*    G   1           H2*        G   1  -2.128 -22.076   8.254
    6   2HO*    G   1          2HO*        G   1  -2.682 -21.984  10.530
    7    H1*    G   1           H1*        G   1  -2.533 -24.724   8.489
    8    H8     G   1           H8         G   1  -4.864 -23.835   5.705
    9    H1     G   1           H1         G   1   1.304 -23.726   3.945
   10   1H2     G   1          1H2         G   1   2.597 -23.799   5.754
   11   2H2     G   1          2H2         G   1   1.911 -23.906   7.365
   12    H5T    G   1           H5T        G   1  -6.680 -21.078   8.596
   13   1H5*    G   2          1H5*        G   2  -2.153 -20.349  10.807
   14   2H5*    G   2          2H5*        G   2  -2.027 -18.583  10.870
   15    H4*    G   2           H4*        G   2   0.189 -19.647  10.957
   16    H3*    G   2           H3*        G   2  -0.362 -18.044   8.443
   17    H2*    G   2           H2*        G   2   1.953 -18.495   7.857
   18   2HO*    G   2          2HO*        G   2   2.674 -18.302  10.092
   19    H1*    G   2           H1*        G   2   1.836 -21.134   8.401
   20    H8     G   2           H8         G   2  -1.621 -20.466   7.156
   21    H1     G   2           H1         G   2   2.801 -20.191   2.515
   22   1H2     G   2          1H2         G   2   4.830 -20.140   3.417
   23   2H2     G   2          2H2         G   2   5.064 -20.233   5.156
   24   1H5*    A   3          1H5*        A   3   3.438 -16.872   9.920
   25   2H5*    A   3          2H5*        A   3   3.573 -15.105   9.984
   26    H4*    A   3           H4*        A   3   5.477 -16.077   8.783
   27    H3*    A   3           H3*        A   3   3.558 -14.456   7.093
   28    H2*    A   3           H2*        A   3   5.146 -14.787   5.274
   29   2HO*    A   3          2HO*        A   3   7.010 -14.601   6.694
   30    H1*    A   3           H1*        A   3   5.450 -17.430   5.678
   31    H8     A   3           H8         A   3   1.877 -16.940   6.653
   32   1H6     A   3          1H6         A   3   0.565 -16.955   0.600
   33   2H6     A   3          2H6         A   3  -0.080 -17.087   2.222
   34    H2     A   3           H2         A   3   4.962 -16.372   1.053
   35   1H5*    U   4          1H5*        U   4   7.475 -13.154   6.265
   36   2H5*    U   4          2H5*        U   4   7.610 -11.390   6.120
   37    H4*    U   4           H4*        U   4   8.421 -12.556   4.086
   38    H3*    U   4           H3*        U   4   5.916 -10.889   3.720
   39    H2*    U   4           H2*        U   4   6.163 -11.405   1.340
   40   2HO*    U   4          2HO*        U   4   8.515 -11.314   1.456
   41    H1*    U   4           H1*        U   4   6.546 -14.050   1.733
   42    H3     U   4           H3         U   4   2.324 -13.133   0.162
   43    H5     U   4           H5         U   4   2.009 -13.053   4.348
   44    H6     U   4           H6         U   4   4.408 -13.182   4.479
   45   1H5*    A   5          1H5*        A   5   8.552  -9.979   0.624
   46   2H5*    A   5          2H5*        A   5   8.648  -8.243   0.300
   47    H4*    A   5           H4*        A   5   8.123  -9.521  -1.739
   48    H3*    A   5           H3*        A   5   5.920  -7.677  -0.755
   49    H2*    A   5           H2*        A   5   4.743  -8.290  -2.792
   50   2HO*    A   5          2HO*        A   5   6.732  -8.365  -4.057
   51    H1*    A   5           H1*        A   5   5.125 -10.943  -2.507
   52    H8     A   5           H8         A   5   4.946  -9.869   1.059
   53   1H6     A   5          1H6         A   5  -1.209  -9.627   0.350
   54   2H6     A   5          2H6         A   5   0.101  -9.650   1.518
   55    H2     A   5           H2         A   5   0.638  -9.775  -3.681
   56   1H5*    U   6          1H5*        U   6   6.455  -6.960  -4.909
   57   2H5*    U   6          2H5*        U   6   6.385  -5.219  -5.242
   58    H4*    U   6           H4*        U   6   4.709  -6.531  -6.540
   59    H3*    U   6           H3*        U   6   3.625  -4.511  -4.556
   60    H2*    U   6           H2*        U   6   1.460  -5.022  -5.486
   61   2HO*    U   6          2HO*        U   6   2.149  -5.154  -7.664
   62    H1*    U   6           H1*        U   6   1.815  -7.727  -5.497
   63    H3     U   6           H3         U   6  -1.130  -6.531  -2.193
   64    H5     U   6           H5         U   6   2.673  -6.373  -0.421
   65    H6     U   6           H6         U   6   3.656  -6.662  -2.596
   66   1H5*    A   7          1H5*        A   7   0.839  -1.283  -7.420
   67   2H5*    A   7          2H5*        A   7   0.772  -2.011  -5.811
   68    H4*    A   7           H4*        A   7  -0.616  -3.086  -8.306
   69    H3*    A   7           H3*        A   7  -1.390  -1.304  -6.038
   70    H2*    A   7           H2*        A   7  -3.394  -2.497  -5.531
   71   2HO*    A   7          2HO*        A   7  -3.847  -2.787  -7.858
   72    H1*    A   7           H1*        A   7  -2.401  -4.983  -5.660
   73    H8     A   7           H8         A   7   0.719  -3.487  -4.434
   74   1H6     A   7          1H6         A   7  -1.990  -2.860   1.098
   75   2H6     A   7          2H6         A   7  -0.466  -2.830   0.226
   76    H2     A   7           H2         A   7  -5.167  -3.671  -1.884
   77   1H5*    U   8          1H5*        U   8  -5.107  -1.235  -7.569
   78   2H5*    U   8          2H5*        U   8  -5.565   0.456  -7.860
   79    H4*    U   8           H4*        U   8  -7.112  -0.554  -6.248
   80    H3*    U   8           H3*        U   8  -5.146   1.351  -4.964
   81    H2*    U   8           H2*        U   8  -6.630   1.252  -3.032
   82   2HO*    U   8          2HO*        U   8  -8.641   0.863  -4.216
   83    H1*    U   8           H1*        U   8  -6.462  -1.425  -3.034
   84    H3     U   8           H3         U   8  -3.563   0.590  -0.048
   85    H5     U   8           H5         U   8  -1.358  -0.083  -3.556
   86    H6     U   8           H6         U   8  -3.419  -0.670  -4.664
   87   1H5*    G   9          1H5*        G   9  -9.089   4.574  -4.464
   88   2H5*    G   9          2H5*        G   9  -7.552   3.877  -3.932
   89    H4*    G   9           H4*        G   9 -10.219   3.545  -2.486
   90    H3*    G   9           H3*        G   9  -7.898   5.442  -2.126
   91    H2*    G   9           H2*        G   9  -8.133   5.236   0.279
   92   2HO*    G   9          2HO*        G   9 -10.498   5.122   0.130
   93    H1*    G   9           H1*        G   9  -8.223   2.560   0.305
   94    H8     G   9           H8         G   9  -6.102   3.119  -2.727
   95    H1     G   9           H1         G   9  -3.032   4.498   2.737
   96   1H2     G   9          1H2         G   9  -4.484   4.593   4.417
   97   2H2     G   9          2H2         G   9  -6.193   4.249   4.173
   98   1H5*    A  10          1H5*        A  10 -10.470   6.654   0.956
   99   2H5*    A  10          2H5*        A  10 -10.648   8.417   0.862
  100    H4*    A  10           H4*        A  10  -9.858   7.715   3.089
  101    H3*    A  10           H3*        A  10  -7.766   9.156   1.433
  102    H2*    A  10           H2*        A  10  -6.543   9.346   3.521
  103   2HO*    A  10          2HO*        A  10  -8.453   9.385   4.961
  104    H1*    A  10           H1*        A  10  -6.712   6.711   3.891
  105    H8     A  10           H8         A  10  -6.858   6.902   0.165
  106   1H6     A  10          1H6         A  10  -0.737   7.909   0.315
  107   2H6     A  10          2H6         A  10  -2.109   7.560  -0.721
  108    H2     A  10           H2         A  10  -2.299   8.295   4.449
  109   1H5*    U  11          1H5*        U  11  -8.402  13.040   4.537
  110   2H5*    U  11          2H5*        U  11  -7.496  11.996   3.438
  111    H4*    U  11           H4*        U  11  -7.002  12.099   6.446
  112    H3*    U  11           H3*        U  11  -5.920  13.715   4.146
  113    H2*    U  11           H2*        U  11  -3.717  13.640   5.143
  114   2HO*    U  11          2HO*        U  11  -4.603  13.875   7.324
  115    H1*    U  11           H1*        U  11  -3.771  11.026   5.784
  116    H3     U  11           H3         U  11  -1.003  11.656   2.194
  117    H5     U  11           H5         U  11  -4.797  10.832   0.586
  118    H6     U  11           H6         U  11  -5.733  11.025   2.809
  119   1H5*    A  12          1H5*        A  12  -4.075  15.345   7.695
  120   2H5*    A  12          2H5*        A  12  -4.358  17.097   7.626
  121    H4*    A  12           H4*        A  12  -1.961  16.664   7.901
  122    H3*    A  12           H3*        A  12  -2.873  17.750   5.229
  123    H2*    A  12           H2*        A  12  -0.529  17.934   4.637
  124   2HO*    A  12          2HO*        A  12   0.047  18.649   6.815
  125    H1*    A  12           H1*        A  12   0.202  15.551   5.663
  126    H8     A  12           H8         A  12  -3.208  15.265   4.017
  127   1H6     A  12          1H6         A  12   0.004  13.779  -1.085
  128   2H6     A  12          2H6         A  12  -1.598  13.832  -0.377
  129    H2     A  12           H2         A  12   2.848  15.296   1.958
  130   1H5*    C  13          1H5*        C  13   0.536  19.996   6.824
  131   2H5*    C  13          2H5*        C  13   0.143  21.727   6.648
  132    H4*    C  13           H4*        C  13   2.331  21.389   5.655
  133    H3*    C  13           H3*        C  13   0.187  21.718   3.592
  134    H2*    C  13           H2*        C  13   2.065  21.759   2.049
  135   2HO*    C  13          2HO*        C  13   3.413  23.038   3.412
  136    H1*    C  13           H1*        C  13   3.393  19.643   3.163
  137   1H4     C  13          1H4         C  13  -0.185  16.822  -1.231
  138   2H4     C  13          2H4         C  13  -1.654  17.123  -0.319
  139    H5     C  13           H5         C  13  -1.647  18.324   1.821
  140    H6     C  13           H6         C  13  -0.291  19.470   3.417
  141   1H5*    A  14          1H5*        A  14   1.266  26.082   1.207
  142   2H5*    A  14          2H5*        A  14   0.948  24.369   0.862
  143    H4*    A  14           H4*        A  14   3.665  25.745   0.806
  144    H3*    A  14           H3*        A  14   1.715  24.825  -1.272
  145    H2*    A  14           H2*        A  14   3.524  23.912  -2.609
  146   2HO*    A  14          2HO*        A  14   4.958  25.719  -2.030
  147    H1*    A  14           H1*        A  14   4.764  22.634  -0.624
  148    H8     A  14           H8         A  14   1.204  22.404   0.581
  149   1H6     A  14          1H6         A  14   0.650  17.713  -3.443
  150   2H6     A  14          2H6         A  14  -0.084  18.528  -2.077
  151    H2     A  14           H2         A  14   4.504  19.772  -4.248
  152   1H5*    A  15          1H5*        A  15   5.094  26.544  -3.309
  153   2H5*    A  15          2H5*        A  15   4.622  27.527  -4.702
  154    H4*    A  15           H4*        A  15   6.168  25.506  -5.135
  155    H3*    A  15           H3*        A  15   4.466  26.652  -6.868
  156    H2*    A  15           H2*        A  15   2.560  25.438  -6.025
  157   2HO*    A  15          2HO*        A  15   3.216  24.998  -8.507
  158    H1*    A  15           H1*        A  15   4.318  23.004  -6.359
  159    H8     A  15           H8         A  15   1.869  24.362  -3.749
  160   1H6     A  15          1H6         A  15  -1.322  19.130  -4.947
  161   2H6     A  15          2H6         A  15  -1.381  20.663  -4.093
  162    H2     A  15           H2         A  15   2.552  19.069  -7.193
  163   1H5*    U  16          1H5*        U  16   3.731  22.994  -9.503
  164   2H5*    U  16          2H5*        U  16   4.727  22.477  -8.144
  165    H4*    U  16           H4*        U  16   4.668  21.369 -10.966
  166    H3*    U  16           H3*        U  16   3.305  20.735  -8.581
  167    H2*    U  16           H2*        U  16   4.658  19.320  -7.372
  168   2HO*    U  16          2HO*        U  16   4.440  18.053  -9.772
  169    H1*    U  16           H1*        U  16   6.981  19.109  -8.824
  170    H3     U  16           H3         U  16   9.650  21.548  -6.079
  171    H5     U  16           H5         U  16   5.712  22.222  -4.743
  172    H6     U  16           H6         U  16   4.913  21.145  -6.624
  173   1H5*    U  17          1H5*        U  17   1.394  18.006  -8.428
  174   2H5*    U  17          2H5*        U  17   0.899  17.427 -10.019
  175    H4*    U  17           H4*        U  17  -1.110  18.916  -8.329
  176    H3*    U  17           H3*        U  17   0.107  16.398  -7.540
  177    H2*    U  17           H2*        U  17  -1.668  14.872  -7.974
  178   2HO*    U  17          2HO*        U  17  -3.288  16.110  -6.952
  179    H1*    U  17           H1*        U  17  -2.596  15.811 -10.269
  180    H3     U  17           H3         U  17   0.987  15.286 -13.227
  181    H5     U  17           H5         U  17   2.197  13.684  -9.541
  182    H6     U  17           H6         U  17   0.222  14.613  -8.546
  183   1H5*    U  18          1H5*        U  18   0.668  14.744  -6.447
  184   2H5*    U  18          2H5*        U  18  -0.958  14.129  -6.156
  185    H4*    U  18           H4*        U  18   1.281  13.704  -4.153
  186    H3*    U  18           H3*        U  18   0.989  12.558  -6.791
  187    H2*    U  18           H2*        U  18   0.150  10.403  -6.342
  188   2HO*    U  18          2HO*        U  18   1.828   9.888  -4.859
  189    H1*    U  18           H1*        U  18  -1.344  10.804  -4.136
  190    H3     U  18           H3         U  18  -5.197  12.477  -5.885
  191    H5     U  18           H5         U  18  -2.450  12.596  -9.058
  192    H6     U  18           H6         U  18  -0.725  11.976  -7.535
  193   1H5*    G  19          1H5*        G  19   4.910  10.119  -4.347
  194   2H5*    G  19          2H5*        G  19   4.809  11.858  -4.009
  195    H4*    G  19           H4*        G  19   7.246  10.407  -5.151
  196    H3*    G  19           H3*        G  19   6.353  10.225  -2.564
  197    H2*    G  19           H2*        G  19   6.222  12.645  -2.292
  198   2HO*    G  19          2HO*        G  19   7.740  11.577  -0.673
  199    H1*    G  19           H1*        G  19   8.958  12.569  -3.589
  200    H8     G  19           H8         G  19   9.937  14.904  -3.024
  201    H1     G  19           H1         G  19   4.225  17.770  -3.605
  202   1H2     G  19          1H2         G  19   2.670  16.256  -4.091
  203   2H2     G  19          2H2         G  19   3.078  14.556  -4.271
  204   1H5*    A  20          1H5*        A  20   9.528  10.786  -0.045
  205   2H5*    A  20          2H5*        A  20   9.669   9.173   0.681
  206    H4*    A  20           H4*        A  20   8.918  10.731   2.390
  207    H3*    A  20           H3*        A  20   6.646   9.004   1.375
  208    H2*    A  20           H2*        A  20   5.439   9.788   3.327
  209   2HO*    A  20          2HO*        A  20   7.325  10.043   4.754
  210    H1*    A  20           H1*        A  20   5.989  12.335   2.697
  211    H8     A  20           H8         A  20   5.944  10.739  -0.660
  212   1H6     A  20          1H6         A  20  -0.259  10.873  -0.309
  213   2H6     A  20          2H6         A  20   1.111  10.674  -1.395
  214    H2     A  20           H2         A  20   1.369  11.656   3.736
  215   1H5*    U  21          1H5*        U  21   7.061   6.535   5.816
  216   2H5*    U  21          2H5*        U  21   6.205   7.119   4.383
  217    H4*    U  21           H4*        U  21   5.815   8.248   7.186
  218    H3*    U  21           H3*        U  21   4.393   6.044   5.670
  219    H2*    U  21           H2*        U  21   2.319   6.795   6.576
  220   2HO*    U  21          2HO*        U  21   3.145   7.254   8.684
  221    H1*    U  21           H1*        U  21   2.723   9.425   6.115
  222    H3     U  21           H3         U  21  -0.169   7.665   2.990
  223    H5     U  21           H5         U  21   3.657   7.426   1.290
  224    H6     U  21           H6         U  21   4.603   8.044   3.419
  225   1H5*    C  22          1H5*        C  22   1.858   3.391   9.308
  226   2H5*    C  22          2H5*        C  22   1.717   3.658   7.566
  227    H4*    C  22           H4*        C  22   0.381   5.287   9.770
  228    H3*    C  22           H3*        C  22  -0.408   3.169   7.806
  229    H2*    C  22           H2*        C  22  -2.492   4.235   7.301
  230   2HO*    C  22          2HO*        C  22  -2.790   4.932   9.550
  231    H1*    C  22           H1*        C  22  -1.474   6.686   6.928
  232   1H4     C  22          1H4         C  22  -0.607   3.774   1.358
  233   2H4     C  22          2H4         C  22   1.108   3.639   1.716
  234    H5     C  22           H5         C  22   2.039   4.202   3.930
  235    H6     C  22           H6         C  22   1.491   5.024   6.130
  236   1H5*    A  23          1H5*        A  23  -3.869   2.484  10.227
  237   2H5*    A  23          2H5*        A  23  -3.923   0.734  10.512
  238    H4*    A  23           H4*        A  23  -5.886   1.505   9.260
  239    H3*    A  23           H3*        A  23  -4.020  -0.197   7.590
  240    H2*    A  23           H2*        A  23  -5.841  -0.154   5.968
  241   2HO*    A  23          2HO*        A  23  -7.587  -0.125   7.532
  242    H1*    A  23           H1*        A  23  -5.996   2.509   6.022
  243    H8     A  23           H8         A  23  -2.392   2.203   6.839
  244   1H6     A  23          1H6         A  23  -1.459   0.569   0.923
  245   2H6     A  23          2H6         A  23  -0.690   1.042   2.429
  246    H2     A  23           H2         A  23  -5.830   0.423   1.727
  247   1H5*    G  24          1H5*        G  24  -7.111  -1.675   5.401
  248   2H5*    G  24          2H5*        G  24  -7.444  -3.361   5.817
  249    H4*    G  24           H4*        G  24  -6.663  -3.180   3.519
  250    H3*    G  24           H3*        G  24  -4.845  -4.609   5.452
  251    H2*    G  24           H2*        G  24  -3.372  -5.059   3.624
  252   2HO*    G  24          2HO*        G  24  -4.944  -5.677   2.124
  253    H1*    G  24           H1*        G  24  -3.596  -2.621   2.386
  254    H8     G  24           H8         G  24  -3.458  -1.316   5.767
  255    H1     G  24           H1         G  24   2.021  -4.381   4.424
  256   1H2     G  24          1H2         G  24   1.789  -5.598   2.578
  257   2H2     G  24          2H2         G  24   0.294  -5.624   1.673
  258   1H5*    U  25          1H5*        U  25  -8.398  -6.966   5.043
  259   2H5*    U  25          2H5*        U  25  -8.464  -8.699   4.665
  260    H4*    U  25           H4*        U  25 -10.574  -7.672   4.005
  261    H3*    U  25           H3*        U  25  -8.796  -8.234   1.641
  262    H2*    U  25           H2*        U  25 -10.702  -7.629   0.266
  263   2HO*    U  25          2HO*        U  25 -12.299  -8.645   1.591
  264    H1*    U  25           H1*        U  25 -11.308  -5.450   1.765
  265    H3     U  25           H3         U  25  -9.800  -4.234  -2.346
  266    H5     U  25           H5         U  25  -6.383  -4.492   0.073
  267    H6     U  25           H6         U  25  -7.726  -5.510   1.800
  268   1H5*    A  26          1H5*        A  26 -11.653  -8.964  -1.075
  269   2H5*    A  26          2H5*        A  26 -11.305 -10.572  -1.719
  270    H4*    A  26           H4*        A  26 -10.737  -8.831  -3.336
  271    H3*    A  26           H3*        A  26  -8.356 -10.318  -2.216
  272    H2*    A  26           H2*        A  26  -7.074  -9.111  -3.916
  273   2HO*    A  26          2HO*        A  26  -8.793  -9.278  -5.504
  274    H1*    A  26           H1*        A  26  -8.175  -6.696  -3.345
  275    H8     A  26           H8         A  26  -8.181  -8.279  -0.041
  276   1H6     A  26          1H6         A  26  -2.121  -7.043   0.345
  277   2H6     A  26          2H6         A  26  -3.576  -7.453   1.253
  278    H2     A  26           H2         A  26  -3.344  -6.659  -3.911
  279   1H5*    U  27          1H5*        U  27  -8.001 -10.609  -6.422
  280   2H5*    U  27          2H5*        U  27  -7.683 -12.288  -6.912
  281    H4*    U  27           H4*        U  27  -5.998 -10.761  -7.852
  282    H3*    U  27           H3*        U  27  -4.975 -12.695  -5.751
  283    H2*    U  27           H2*        U  27  -2.770 -11.828  -6.253
  284   2HO*    U  27          2HO*        U  27  -3.249 -11.635  -8.545
  285    H1*    U  27           H1*        U  27  -3.487  -9.228  -6.138
  286    H3     U  27           H3         U  27  -1.278 -10.627  -2.324
  287    H5     U  27           H5         U  27  -5.372 -11.013  -1.509
  288    H6     U  27           H6         U  27  -5.821 -10.567  -3.830
  289   1H5*    A  28          1H5*        A  28  -2.386 -13.112  -9.143
  290   2H5*    A  28          2H5*        A  28  -2.085 -14.828  -9.473
  291    H4*    A  28           H4*        A  28   0.026 -13.633  -9.293
  292    H3*    A  28           H3*        A  28  -0.479 -15.495  -6.948
  293    H2*    A  28           H2*        A  28   1.771 -14.904  -6.252
  294   2HO*    A  28          2HO*        A  28   2.570 -14.843  -8.469
  295    H1*    A  28           H1*        A  28   1.429 -12.249  -6.561
  296    H8     A  28           H8         A  28  -1.995 -13.454  -5.571
  297   1H6     A  28          1H6         A  28   0.055 -13.262   0.274
  298   2H6     A  28          2H6         A  28  -1.360 -13.367  -0.752
  299    H2     A  28           H2         A  28   3.581 -13.010  -2.424
  300   1H5*    U  29          1H5*        U  29   3.389 -16.233  -8.465
  301   2H5*    U  29          2H5*        U  29   3.827 -17.952  -8.444
  302    H4*    U  29           H4*        U  29   5.442 -16.562  -7.179
  303    H3*    U  29           H3*        U  29   3.830 -18.488  -5.464
  304    H2*    U  29           H2*        U  29   5.332 -17.773  -3.672
  305   2HO*    U  29          2HO*        U  29   7.165 -17.551  -5.174
  306    H1*    U  29           H1*        U  29   4.973 -15.148  -4.157
  307    H3     U  29           H3         U  29   2.519 -16.531  -0.537
  308    H5     U  29           H5         U  29   0.008 -17.104  -3.853
  309    H6     U  29           H6         U  29   1.865 -16.575  -5.285
  310   1H5*    C  30          1H5*        C  30   7.835 -18.877  -4.429
  311   2H5*    C  30          2H5*        C  30   8.342 -20.573  -4.311
  312    H4*    C  30           H4*        C  30   8.879 -19.310  -2.255
  313    H3*    C  30           H3*        C  30   6.775 -21.486  -1.930
  314    H2*    C  30           H2*        C  30   6.924 -20.987   0.444
  315   2HO*    C  30          2HO*        C  30   9.281 -20.516   0.208
  316    H1*    C  30           H1*        C  30   6.707 -18.314   0.128
  317   1H4     C  30          1H4         C  30   0.751 -20.390   0.564
  318   2H4     C  30          2H4         C  30   0.581 -20.300  -1.184
  319    H5     C  30           H5         C  30   2.505 -19.898  -2.669
  320    H6     C  30           H6         C  30   4.863 -19.413  -2.718
  321   1H5*    C  31          1H5*        C  31   9.429 -21.917   1.175
  322   2H5*    C  31          2H5*        C  31  10.048 -23.578   1.252
  323    H4*    C  31           H4*        C  31   9.179 -22.980   3.440
  324    H3*    C  31           H3*        C  31   7.365 -24.874   1.896
  325    H2*    C  31           H2*        C  31   6.140 -25.088   3.967
  326   2HO*    C  31          2HO*        C  31   8.134 -25.007   5.266
  327    H1*    C  31           H1*        C  31   6.107 -22.398   4.447
  328   1H4     C  31          1H4         C  31   0.784 -23.714   1.317
  329   2H4     C  31          2H4         C  31   1.571 -23.426  -0.229
  330    H5     C  31           H5         C  31   3.989 -22.996  -0.416
  331    H6     C  31           H6         C  31   6.037 -22.736   0.831
  332    H3T    C  31           H3T        C  31   9.430 -25.692   2.388
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -6.312 -24.336   7.643
    2   2H5*    G   1          2H5*        G   1  -6.141 -22.649   8.179
    3    H4*    G   1           H4*        G   1  -4.285 -23.923   9.056
    4    H3*    G   1           H3*        G   1  -3.526 -22.087   6.768
    5    H2*    G   1           H2*        G   1  -1.230 -22.679   7.255
    6   2HO*    G   1          2HO*        G   1  -1.560 -22.770   9.559
    7    H1*    G   1           H1*        G   1  -1.689 -25.307   7.301
    8    H8     G   1           H8         G   1  -4.261 -24.289   4.833
    9    H1     G   1           H1         G   1   1.707 -23.729   2.543
   10   1H2     G   1          1H2         G   1   3.146 -23.857   4.225
   11   2H2     G   1          2H2         G   1   2.599 -24.122   5.867
   12    H5T    G   1           H5T        G   1  -5.326 -22.123   6.134
   13   1H5*    G   2          1H5*        G   2  -0.889 -21.226   9.888
   14   2H5*    G   2          2H5*        G   2  -0.716 -19.481  10.122
   15    H4*    G   2           H4*        G   2   1.464 -20.568   9.835
   16    H3*    G   2           H3*        G   2   0.648 -18.698   7.595
   17    H2*    G   2           H2*        G   2   2.888 -19.093   6.704
   18   2HO*    G   2          2HO*        G   2   3.811 -19.179   8.869
   19    H1*    G   2           H1*        G   2   2.776 -21.751   6.930
   20    H8     G   2           H8         G   2  -0.787 -20.983   6.216
   21    H1     G   2           H1         G   2   3.022 -20.131   1.110
   22   1H2     G   2          1H2         G   2   5.131 -20.078   1.766
   23   2H2     G   2          2H2         G   2   5.563 -20.343   3.449
   24   1H5*    A   3          1H5*        A   3   4.644 -17.789   8.707
   25   2H5*    A   3          2H5*        A   3   4.905 -16.053   8.869
   26    H4*    A   3           H4*        A   3   6.545 -17.073   7.351
   27    H3*    A   3           H3*        A   3   4.603 -15.123   6.058
   28    H2*    A   3           H2*        A   3   5.865 -15.461   4.029
   29   2HO*    A   3          2HO*        A   3   7.901 -15.614   5.250
   30    H1*    A   3           H1*        A   3   5.924 -18.126   4.158
   31    H8     A   3           H8         A   3   2.627 -17.386   5.731
   32   1H6     A   3          1H6         A   3   0.453 -16.692  -0.019
   33   2H6     A   3          2H6         A   3   0.050 -16.860   1.692
   34    H2     A   3           H2         A   3   4.888 -16.692  -0.231
   35   1H5*    U   4          1H5*        U   4   8.428 -14.196   4.669
   36   2H5*    U   4          2H5*        U   4   8.744 -12.465   4.637
   37    H4*    U   4           H4*        U   4   9.070 -13.502   2.427
   38    H3*    U   4           H3*        U   4   6.743 -11.532   2.557
   39    H2*    U   4           H2*        U   4   6.616 -11.880   0.157
   40   2HO*    U   4          2HO*        U   4   8.943 -12.052  -0.046
   41    H1*    U   4           H1*        U   4   6.732 -14.560   0.282
   42    H3     U   4           H3         U   4   2.440 -13.188  -0.560
   43    H5     U   4           H5         U   4   2.736 -13.462   3.613
   44    H6     U   4           H6         U   4   5.104 -13.747   3.400
   45   1H5*    A   5          1H5*        A   5   9.051 -10.651  -0.780
   46   2H5*    A   5          2H5*        A   5   9.334  -8.925  -0.960
   47    H4*    A   5           H4*        A   5   8.417  -9.891  -2.997
   48    H3*    A   5           H3*        A   5   6.540  -7.891  -1.632
   49    H2*    A   5           H2*        A   5   5.086  -8.180  -3.432
   50   2HO*    A   5          2HO*        A   5   6.733  -8.191  -5.037
   51    H1*    A   5           H1*        A   5   5.244 -10.866  -3.588
   52    H8     A   5           H8         A   5   5.562 -10.196   0.081
   53   1H6     A   5          1H6         A   5  -0.649 -10.101   0.083
   54   2H6     A   5          2H6         A   5   0.805 -10.161   1.096
   55    H2     A   5           H2         A   5   0.708  -9.771  -4.103
   56   1H5*    U   6          1H5*        U   6   5.967  -3.970  -4.514
   57   2H5*    U   6          2H5*        U   6   5.101  -4.959  -3.341
   58    H4*    U   6           H4*        U   6   4.929  -5.233  -6.378
   59    H3*    U   6           H3*        U   6   3.229  -3.935  -4.247
   60    H2*    U   6           H2*        U   6   1.241  -4.627  -5.375
   61   2HO*    U   6          2HO*        U   6   2.005  -4.288  -7.495
   62    H1*    U   6           H1*        U   6   1.973  -7.173  -5.708
   63    H3     U   6           H3         U   6  -0.764  -6.648  -2.030
   64    H5     U   6           H5         U   6   3.188  -6.720  -0.587
   65    H6     U   6           H6         U   6   3.975  -6.569  -2.846
   66   1H5*    A   7          1H5*        A   7   0.174  -0.679  -6.797
   67   2H5*    A   7          2H5*        A   7   0.083  -1.539  -5.271
   68    H4*    A   7           H4*        A   7  -0.985  -2.553  -7.931
   69    H3*    A   7           H3*        A   7  -2.047  -0.890  -5.732
   70    H2*    A   7           H2*        A   7  -3.865  -2.228  -5.133
   71   2HO*    A   7          2HO*        A   7  -4.306  -2.473  -7.516
   72    H1*    A   7           H1*        A   7  -2.862  -4.679  -5.433
   73    H8     A   7           H8         A   7   0.269  -3.284  -4.118
   74   1H6     A   7          1H6         A   7  -2.515  -3.001   1.417
   75   2H6     A   7          2H6         A   7  -0.973  -2.873   0.557
   76    H2     A   7           H2         A   7  -5.619  -3.797  -1.592
   77   1H5*    U   8          1H5*        U   8  -5.668  -1.254  -7.257
   78   2H5*    U   8          2H5*        U   8  -6.294   0.363  -7.627
   79    H4*    U   8           H4*        U   8  -7.738  -0.701  -5.999
   80    H3*    U   8           H3*        U   8  -5.940   1.339  -4.668
   81    H2*    U   8           H2*        U   8  -7.505   1.158  -2.835
   82   2HO*    U   8          2HO*        U   8  -9.433   0.773  -4.174
   83    H1*    U   8           H1*        U   8  -7.386  -1.511  -2.925
   84    H3     U   8           H3         U   8  -5.141   0.210   0.696
   85    H5     U   8           H5         U   8  -2.298  -0.165  -2.416
   86    H6     U   8           H6         U   8  -4.086  -0.597  -3.960
   87   1H5*    G   9          1H5*        G   9  -9.877   4.576  -4.989
   88   2H5*    G   9          2H5*        G   9  -8.494   3.947  -4.113
   89    H4*    G   9           H4*        G   9 -11.378   4.014  -3.124
   90    H3*    G   9           H3*        G   9  -8.883   5.625  -2.530
   91    H2*    G   9           H2*        G   9  -9.526   5.705  -0.192
   92   2HO*    G   9          2HO*        G   9 -11.819   5.881  -0.734
   93    H1*    G   9           H1*        G   9  -9.978   3.078   0.043
   94    H8     G   9           H8         G   9  -7.388   3.030  -2.659
   95    H1     G   9           H1         G   9  -4.975   4.595   3.073
   96   1H2     G   9          1H2         G   9  -6.621   5.151   4.455
   97   2H2     G   9          2H2         G   9  -8.308   5.027   3.947
   98   1H5*    A  10          1H5*        A  10 -11.779   7.505  -0.065
   99   2H5*    A  10          2H5*        A  10 -11.686   9.246  -0.355
  100    H4*    A  10           H4*        A  10 -11.426   8.717   2.028
  101    H3*    A  10           H3*        A  10  -8.867   9.716   0.723
  102    H2*    A  10           H2*        A  10  -8.053   9.968   2.968
  103   2HO*    A  10          2HO*        A  10 -10.132  10.447   3.992
  104    H1*    A  10           H1*        A  10  -8.667   7.479   3.558
  105    H8     A  10           H8         A  10  -8.104   7.235  -0.112
  106   1H6     A  10          1H6         A  10  -2.054   7.430   1.140
  107   2H6     A  10          2H6         A  10  -3.254   7.107  -0.070
  108    H2     A  10           H2         A  10  -4.248   8.392   4.873
  109   1H5*    U  11          1H5*        U  11  -9.603  14.037   3.145
  110   2H5*    U  11          2H5*        U  11  -8.646  12.774   2.393
  111    H4*    U  11           H4*        U  11  -8.707  13.363   5.387
  112    H3*    U  11           H3*        U  11  -6.839  14.144   3.133
  113    H2*    U  11           H2*        U  11  -5.019  14.006   4.726
  114   2HO*    U  11          2HO*        U  11  -6.188  14.886   6.487
  115    H1*    U  11           H1*        U  11  -5.758  11.622   5.735
  116    H3     U  11           H3         U  11  -2.192  11.105   2.889
  117    H5     U  11           H5         U  11  -5.606  10.839   0.443
  118    H6     U  11           H6         U  11  -6.967  11.496   2.341
  119   1H5*    A  12          1H5*        A  12  -5.984  16.523   6.768
  120   2H5*    A  12          2H5*        A  12  -5.574  18.168   6.255
  121    H4*    A  12           H4*        A  12  -3.834  17.210   7.733
  122    H3*    A  12           H3*        A  12  -2.967  17.512   4.856
  123    H2*    A  12           H2*        A  12  -0.706  17.195   5.823
  124   2HO*    A  12          2HO*        A  12  -1.581  18.004   8.077
  125    H1*    A  12           H1*        A  12  -1.483  14.954   6.879
  126    H8     A  12           H8         A  12  -3.718  15.197   3.872
  127   1H6     A  12          1H6         A  12   1.283  13.473   0.610
  128   2H6     A  12          2H6         A  12  -0.453  13.766   0.526
  129    H2     A  12           H2         A  12   2.543  14.167   4.757
  130   1H5*    C  13          1H5*        C  13   0.244  18.935   8.218
  131   2H5*    C  13          2H5*        C  13   0.447  20.718   8.244
  132    H4*    C  13           H4*        C  13   2.559  19.710   7.648
  133    H3*    C  13           H3*        C  13   1.215  20.892   5.224
  134    H2*    C  13           H2*        C  13   3.184  20.211   4.051
  135   2HO*    C  13          2HO*        C  13   4.675  20.918   5.580
  136    H1*    C  13           H1*        C  13   3.543  17.827   5.283
  137   1H4     C  13          1H4         C  13   0.753  16.476  -0.174
  138   2H4     C  13          2H4         C  13  -0.836  16.919   0.439
  139    H5     C  13           H5         C  13  -1.151  17.797   2.722
  140    H6     C  13           H6         C  13   0.010  18.564   4.687
  141   1H5*    A  14          1H5*        A  14   4.560  23.985   2.986
  142   2H5*    A  14          2H5*        A  14   3.110  23.049   2.668
  143    H4*    A  14           H4*        A  14   5.981  22.091   2.369
  144    H3*    A  14           H3*        A  14   3.610  22.712   0.635
  145    H2*    A  14           H2*        A  14   4.149  20.980  -0.944
  146   2HO*    A  14          2HO*        A  14   6.502  20.958  -0.639
  147    H1*    A  14           H1*        A  14   4.194  19.175   0.881
  148    H8     A  14           H8         A  14   2.036  21.352   2.904
  149   1H6     A  14          1H6         A  14  -2.581  19.916  -0.955
  150   2H6     A  14          2H6         A  14  -2.169  20.659   0.599
  151    H2     A  14           H2         A  14   1.161  18.572  -2.814
  152   1H5*    A  15          1H5*        A  15   7.462  23.213  -3.157
  153   2H5*    A  15          2H5*        A  15   5.758  23.208  -2.677
  154    H4*    A  15           H4*        A  15   7.210  20.663  -3.545
  155    H3*    A  15           H3*        A  15   6.908  22.806  -5.190
  156    H2*    A  15           H2*        A  15   4.733  23.280  -4.605
  157   2HO*    A  15          2HO*        A  15   4.661  21.626  -6.904
  158    H1*    A  15           H1*        A  15   3.912  20.384  -4.939
  159    H8     A  15           H8         A  15   3.721  22.793  -2.004
  160   1H6     A  15          1H6         A  15  -2.405  22.687  -2.986
  161   2H6     A  15          2H6         A  15  -1.115  23.397  -2.017
  162    H2     A  15           H2         A  15  -0.487  19.977  -5.888
  163   1H5*    U  16          1H5*        U  16   3.471  18.227  -6.972
  164   2H5*    U  16          2H5*        U  16   4.504  18.289  -8.408
  165    H4*    U  16           H4*        U  16   2.311  18.602  -9.213
  166    H3*    U  16           H3*        U  16   3.721  21.282  -8.984
  167    H2*    U  16           H2*        U  16   1.866  22.273  -9.935
  168   2HO*    U  16          2HO*        U  16   1.869  20.688 -11.723
  169    H1*    U  16           H1*        U  16  -0.039  20.349  -9.011
  170    H3     U  16           H3         U  16  -1.795  24.261  -7.453
  171    H5     U  16           H5         U  16   2.109  24.175  -5.860
  172    H6     U  16           H6         U  16   2.399  22.081  -6.933
  173   1H5*    U  17          1H5*        U  17   5.912  19.167 -10.357
  174   2H5*    U  17          2H5*        U  17   7.155  20.285 -10.896
  175    H4*    U  17           H4*        U  17   6.679  17.763 -12.474
  176    H3*    U  17           H3*        U  17   7.078  17.644  -9.669
  177    H2*    U  17           H2*        U  17   9.348  17.605  -9.361
  178   2HO*    U  17          2HO*        U  17   9.270  15.510 -10.540
  179    H1*    U  17           H1*        U  17  10.494  18.382 -11.682
  180    H3     U  17           H3         U  17  10.896  22.864 -10.980
  181    H5     U  17           H5         U  17   8.639  21.436  -7.748
  182    H6     U  17           H6         U  17   8.445  19.340  -8.859
  183   1H5*    U  18          1H5*        U  18   8.026  15.399  -7.381
  184   2H5*    U  18          2H5*        U  18   9.312  15.846  -8.427
  185    H4*    U  18           H4*        U  18   9.161  13.062  -7.284
  186    H3*    U  18           H3*        U  18   9.686  15.502  -5.827
  187    H2*    U  18           H2*        U  18  12.032  15.428  -5.560
  188   2HO*    U  18          2HO*        U  18  11.769  13.208  -4.676
  189    H1*    U  18           H1*        U  18  12.866  14.022  -7.724
  190    H3     U  18           H3         U  18  13.710  17.513 -10.439
  191    H5     U  18           H5         U  18  10.853  19.002  -7.746
  192    H6     U  18           H6         U  18  10.614  16.864  -6.876
  193   1H5*    G  19          1H5*        G  19   7.864  12.273  -2.992
  194   2H5*    G  19          2H5*        G  19   6.610  13.374  -2.404
  195    H4*    G  19           H4*        G  19   9.144  12.663  -0.871
  196    H3*    G  19           H3*        G  19   6.428  11.412  -0.974
  197    H2*    G  19           H2*        G  19   6.025  11.607   1.347
  198   2HO*    G  19          2HO*        G  19   8.335  11.052   1.743
  199    H1*    G  19           H1*        G  19   6.768  14.069   1.761
  200    H8     G  19           H8         G  19   4.089  12.634   1.331
  201    H1     G  19           H1         G  19   3.731  17.240  -3.122
  202   1H2     G  19          1H2         G  19   5.803  17.965  -3.624
  203   2H2     G  19          2H2         G  19   7.161  17.272  -2.774
  204   1H5*    A  20          1H5*        A  20   8.486   9.561   2.421
  205   2H5*    A  20          2H5*        A  20   8.104   7.838   2.502
  206    H4*    A  20           H4*        A  20   7.488   9.135   4.560
  207    H3*    A  20           H3*        A  20   5.244   7.739   3.065
  208    H2*    A  20           H2*        A  20   3.849   8.474   4.925
  209   2HO*    A  20          2HO*        A  20   5.500   8.142   6.518
  210    H1*    A  20           H1*        A  20   4.638  11.009   4.864
  211    H8     A  20           H8         A  20   4.960   9.961   1.280
  212   1H6     A  20          1H6         A  20  -1.165  10.637   0.787
  213   2H6     A  20          2H6         A  20   0.355  10.382  -0.063
  214    H2     A  20           H2         A  20  -0.096  11.064   5.066
  215   1H5*    U  21          1H5*        U  21   5.111   6.510   7.267
  216   2H5*    U  21          2H5*        U  21   4.550   4.829   7.394
  217    H4*    U  21           H4*        U  21   3.079   6.423   8.612
  218    H3*    U  21           H3*        U  21   1.745   5.193   6.185
  219    H2*    U  21           H2*        U  21  -0.281   6.160   7.177
  220   2HO*    U  21          2HO*        U  21   0.837   6.117   9.461
  221    H1*    U  21           H1*        U  21   0.800   8.528   7.199
  222    H3     U  21           H3         U  21  -1.755   7.974   3.409
  223    H5     U  21           H5         U  21   2.129   6.820   2.317
  224    H6     U  21           H6         U  21   2.749   6.929   4.600
  225   1H5*    C  22          1H5*        C  22  -0.807   5.416  10.623
  226   2H5*    C  22          2H5*        C  22  -1.285   3.747  10.998
  227    H4*    C  22           H4*        C  22  -3.193   5.245  10.412
  228    H3*    C  22           H3*        C  22  -2.701   3.051   8.364
  229    H2*    C  22           H2*        C  22  -4.861   3.686   7.512
  230   2HO*    C  22          2HO*        C  22  -5.836   4.320   9.557
  231    H1*    C  22           H1*        C  22  -4.207   6.231   7.447
  232   1H4     C  22          1H4         C  22  -2.303   4.014   1.894
  233   2H4     C  22          2H4         C  22  -0.690   3.670   2.515
  234    H5     C  22           H5         C  22  -0.192   3.779   4.909
  235    H6     C  22           H6         C  22  -1.068   4.395   7.055
  236   1H5*    A  23          1H5*        A  23  -7.259   1.185  10.528
  237   2H5*    A  23          2H5*        A  23  -6.093   1.286   9.209
  238    H4*    A  23           H4*        A  23  -8.689   2.879   9.386
  239    H3*    A  23           H3*        A  23  -7.949   0.346   7.925
  240    H2*    A  23           H2*        A  23  -9.246   1.089   6.081
  241   2HO*    A  23          2HO*        A  23 -10.953   2.029   7.148
  242    H1*    A  23           H1*        A  23  -8.198   3.537   5.907
  243    H8     A  23           H8         A  23  -5.342   1.787   7.404
  244   1H6     A  23          1H6         A  23  -3.247   0.056   3.248
  245   2H6     A  23          2H6         A  23  -3.837  -0.149   1.702
  246    H2     A  23           H2         A  23  -7.947   1.227   1.601
  247   1H5*    G  24          1H5*        G  24 -10.320  -1.001   5.684
  248   2H5*    G  24          2H5*        G  24 -11.608  -2.056   6.224
  249    H4*    G  24           H4*        G  24 -10.098  -3.906   6.443
  250    H3*    G  24           H3*        G  24  -8.034  -2.270   6.949
  251    H2*    G  24           H2*        G  24  -8.021  -0.967   5.068
  252   2HO*    G  24          2HO*        G  24  -6.435  -3.187   4.565
  253    H1*    G  24           H1*        G  24  -8.436  -3.053   3.024
  254    H8     G  24           H8         G  24  -9.338   0.264   4.448
  255    H1     G  24           H1         G  24 -11.988  -0.932  -1.259
  256   1H2     G  24          1H2         G  24 -11.499  -3.048  -1.847
  257   2H2     G  24          2H2         G  24 -10.613  -4.100  -0.758
  258   1H5*    U  25          1H5*        U  25 -10.051  -7.586   5.792
  259   2H5*    U  25          2H5*        U  25  -8.297  -7.656   5.816
  260    H4*    U  25           H4*        U  25 -10.054  -5.910   4.016
  261    H3*    U  25           H3*        U  25  -8.381  -8.407   3.636
  262    H2*    U  25           H2*        U  25  -7.919  -7.710   1.408
  263   2HO*    U  25          2HO*        U  25 -10.070  -6.969   0.991
  264    H1*    U  25           H1*        U  25  -7.451  -5.093   2.012
  265    H3     U  25           H3         U  25  -3.270  -6.666   1.282
  266    H5     U  25           H5         U  25  -4.314  -8.360   4.964
  267    H6     U  25           H6         U  25  -6.528  -7.393   4.724
  268   1H5*    A  26          1H5*        A  26 -10.533 -10.615  -0.640
  269   2H5*    A  26          2H5*        A  26  -8.884 -10.287  -0.141
  270    H4*    A  26           H4*        A  26 -10.535  -8.779  -2.204
  271    H3*    A  26           H3*        A  26  -8.092 -10.544  -2.171
  272    H2*    A  26           H2*        A  26  -7.031  -9.232  -3.859
  273   2HO*    A  26          2HO*        A  26  -9.143  -8.932  -4.975
  274    H1*    A  26           H1*        A  26  -7.543  -6.846  -2.783
  275    H8     A  26           H8         A  26  -7.285  -9.186   0.135
  276   1H6     A  26          1H6         A  26  -1.217  -7.982  -0.037
  277   2H6     A  26          2H6         A  26  -2.503  -8.769   0.868
  278    H2     A  26           H2         A  26  -3.024  -6.450  -3.781
  279   1H5*    U  27          1H5*        U  27  -8.342 -10.125  -6.126
  280   2H5*    U  27          2H5*        U  27  -8.220 -11.683  -6.951
  281    H4*    U  27           H4*        U  27  -6.426 -10.251  -7.700
  282    H3*    U  27           H3*        U  27  -5.395 -12.457  -5.870
  283    H2*    U  27           H2*        U  27  -3.208 -11.644  -6.506
  284   2HO*    U  27          2HO*        U  27  -3.843 -11.236  -8.700
  285    H1*    U  27           H1*        U  27  -3.780  -9.043  -6.122
  286    H3     U  27           H3         U  27  -1.245 -10.403  -2.570
  287    H5     U  27           H5         U  27  -5.165 -11.540  -1.593
  288    H6     U  27           H6         U  27  -5.857 -10.927  -3.814
  289   1H5*    A  28          1H5*        A  28  -3.123 -12.575  -9.470
  290   2H5*    A  28          2H5*        A  28  -2.826 -14.249  -9.963
  291    H4*    A  28           H4*        A  28  -0.726 -13.023  -9.804
  292    H3*    A  28           H3*        A  28  -1.037 -15.159  -7.646
  293    H2*    A  28           H2*        A  28   1.232 -14.598  -7.058
  294   2HO*    A  28          2HO*        A  28   1.855 -14.275  -9.298
  295    H1*    A  28           H1*        A  28   0.847 -11.952  -7.027
  296    H8     A  28           H8         A  28  -2.471 -13.348  -5.952
  297   1H6     A  28          1H6         A  28   0.015 -13.706  -0.291
  298   2H6     A  28          2H6         A  28  -1.466 -13.775  -1.232
  299    H2     A  28           H2         A  28   3.304 -12.967  -3.170
  300   1H5*    U  29          1H5*        U  29   2.695 -15.708  -9.480
  301   2H5*    U  29          2H5*        U  29   3.077 -17.417  -9.721
  302    H4*    U  29           H4*        U  29   4.814 -16.267  -8.402
  303    H3*    U  29           H3*        U  29   3.253 -18.367  -6.819
  304    H2*    U  29           H2*        U  29   4.896 -17.909  -5.099
  305   2HO*    U  29          2HO*        U  29   6.653 -17.646  -6.561
  306    H1*    U  29           H1*        U  29   4.690 -15.245  -5.251
  307    H3     U  29           H3         U  29   2.507 -16.770  -1.534
  308    H5     U  29           H5         U  29  -0.360 -16.853  -4.579
  309    H6     U  29           H6         U  29   1.364 -16.364  -6.187
  310   1H5*    C  30          1H5*        C  30   7.373 -19.080  -6.409
  311   2H5*    C  30          2H5*        C  30   7.768 -20.802  -6.415
  312    H4*    C  30           H4*        C  30   8.588 -19.680  -4.379
  313    H3*    C  30           H3*        C  30   6.363 -21.716  -3.860
  314    H2*    C  30           H2*        C  30   6.878 -21.305  -1.530
  315   2HO*    C  30          2HO*        C  30   9.194 -21.010  -2.069
  316    H1*    C  30           H1*        C  30   6.803 -18.630  -1.745
  317   1H4     C  30          1H4         C  30   0.850 -20.331  -0.564
  318   2H4     C  30          2H4         C  30   0.467 -20.299  -2.284
  319    H5     C  30           H5         C  30   2.191 -20.041  -3.996
  320    H6     C  30           H6         C  30   4.521 -19.669  -4.363
  321   1H5*    C  31          1H5*        C  31   9.488 -22.457  -1.205
  322   2H5*    C  31          2H5*        C  31   9.921 -24.170  -1.218
  323    H4*    C  31           H4*        C  31   9.474 -23.460   1.081
  324    H3*    C  31           H3*        C  31   7.324 -25.241  -0.136
  325    H2*    C  31           H2*        C  31   6.368 -25.324   2.074
  326   2HO*    C  31          2HO*        C  31   8.510 -25.369   3.107
  327    H1*    C  31           H1*        C  31   6.581 -22.636   2.495
  328   1H4     C  31          1H4         C  31   0.857 -23.570   0.045
  329   2H4     C  31          2H4         C  31   1.478 -23.337  -1.590
  330    H5     C  31           H5         C  31   3.855 -23.125  -2.075
  331    H6     C  31           H6         C  31   6.036 -23.022  -1.105
  332    H3T    C  31           H3T        C  31   9.380 -26.186   0.099
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -4.162 -24.559   8.128
    2   2H5*    G   1          2H5*        G   1  -4.348 -22.853   8.590
    3    H4*    G   1           H4*        G   1  -2.310 -23.678   9.578
    4    H3*    G   1           H3*        G   1  -1.834 -21.853   7.204
    5    H2*    G   1           H2*        G   1   0.508 -21.966   7.764
    6   2HO*    G   1          2HO*        G   1   0.159 -21.965  10.053
    7    H1*    G   1           H1*        G   1   0.565 -24.626   7.980
    8    H8     G   1           H8         G   1  -2.069 -24.240   5.390
    9    H1     G   1           H1         G   1   3.788 -22.812   3.202
   10   1H2     G   1          1H2         G   1   5.179 -22.611   4.918
   11   2H2     G   1          2H2         G   1   4.632 -22.868   6.560
   12    H5T    G   1           H5T        G   1  -3.574 -22.257   6.547
   13   1H5*    G   2          1H5*        G   2   0.394 -20.262  10.371
   14   2H5*    G   2          2H5*        G   2   0.184 -18.507  10.473
   15    H4*    G   2           H4*        G   2   2.555 -19.115  10.369
   16    H3*    G   2           H3*        G   2   1.512 -17.624   7.935
   17    H2*    G   2           H2*        G   2   3.822 -17.603   7.195
   18   2HO*    G   2          2HO*        G   2   4.624 -17.314   9.378
   19    H1*    G   2           H1*        G   2   4.265 -20.203   7.646
   20    H8     G   2           H8         G   2   0.668 -20.262   6.709
   21    H1     G   2           H1         G   2   4.505 -18.962   1.724
   22   1H2     G   2          1H2         G   2   6.535 -18.485   2.474
   23   2H2     G   2          2H2         G   2   6.920 -18.573   4.193
   24   1H5*    A   3          1H5*        A   3   5.116 -15.777   9.177
   25   2H5*    A   3          2H5*        A   3   4.959 -14.021   9.232
   26    H4*    A   3           H4*        A   3   6.886 -14.704   7.877
   27    H3*    A   3           H3*        A   3   4.620 -13.387   6.351
   28    H2*    A   3           H2*        A   3   6.143 -13.471   4.436
   29   2HO*    A   3          2HO*        A   3   8.018 -13.033   5.765
   30    H1*    A   3           H1*        A   3   6.815 -16.029   4.754
   31    H8     A   3           H8         A   3   3.313 -16.089   6.016
   32   1H6     A   3          1H6         A   3   1.534 -16.182   0.086
   33   2H6     A   3          2H6         A   3   1.064 -16.437   1.748
   34    H2     A   3           H2         A   3   5.786 -14.901   0.198
   35   1H5*    U   4          1H5*        U   4   8.241 -11.533   5.268
   36   2H5*    U   4          2H5*        U   4   8.112  -9.778   5.162
   37    H4*    U   4           H4*        U   4   8.948 -10.779   3.054
   38    H3*    U   4           H3*        U   4   6.225  -9.437   2.902
   39    H2*    U   4           H2*        U   4   6.363  -9.888   0.500
   40   2HO*    U   4          2HO*        U   4   8.672  -9.509   0.470
   41    H1*    U   4           H1*        U   4   7.077 -12.457   0.776
   42    H3     U   4           H3         U   4   2.651 -12.034  -0.392
   43    H5     U   4           H5         U   4   2.706 -12.209   3.800
   44    H6     U   4           H6         U   4   5.089 -11.994   3.728
   45   1H5*    A   5          1H5*        A   5   8.516  -8.150  -0.361
   46   2H5*    A   5          2H5*        A   5   8.357  -6.423  -0.651
   47    H4*    A   5           H4*        A   5   7.850  -7.736  -2.664
   48    H3*    A   5           H3*        A   5   5.471  -6.215  -1.509
   49    H2*    A   5           H2*        A   5   4.279  -6.985  -3.469
   50   2HO*    A   5          2HO*        A   5   6.148  -6.776  -4.851
   51    H1*    A   5           H1*        A   5   5.014  -9.546  -3.236
   52    H8     A   5           H8         A   5   4.952  -8.500   0.338
   53   1H6     A   5          1H6         A   5  -1.198  -9.132   0.084
   54   2H6     A   5          2H6         A   5   0.213  -8.941   1.139
   55    H2     A   5           H2         A   5   0.325  -9.045  -4.074
   56   1H5*    U   6          1H5*        U   6   5.610  -5.431  -5.673
   57   2H5*    U   6          2H5*        U   6   5.299  -3.716  -5.969
   58    H4*    U   6           H4*        U   6   3.718  -5.210  -7.168
   59    H3*    U   6           H3*        U   6   2.503  -3.350  -5.075
   60    H2*    U   6           H2*        U   6   0.394  -4.144  -5.832
   61   2HO*    U   6          2HO*        U   6   0.908  -4.142  -8.045
   62    H1*    U   6           H1*        U   6   1.066  -6.761  -5.949
   63    H3     U   6           H3         U   6  -1.714  -6.071  -2.416
   64    H5     U   6           H5         U   6   2.135  -5.380  -0.904
   65    H6     U   6           H6         U   6   2.998  -5.505  -3.142
   66   1H5*    A   7          1H5*        A   7  -0.758  -0.474  -7.713
   67   2H5*    A   7          2H5*        A   7  -0.686  -1.189  -6.109
   68    H4*    A   7           H4*        A   7  -2.063  -2.418  -8.532
   69    H3*    A   7           H3*        A   7  -2.872  -0.536  -6.405
   70    H2*    A   7           H2*        A   7  -4.594  -1.800  -5.464
   71   2HO*    A   7          2HO*        A   7  -5.556  -2.198  -7.533
   72    H1*    A   7           H1*        A   7  -3.670  -4.313  -5.764
   73    H8     A   7           H8         A   7  -0.493  -2.691  -4.738
   74   1H6     A   7          1H6         A   7  -2.761  -2.766   1.025
   75   2H6     A   7          2H6         A   7  -1.320  -2.542   0.027
   76    H2     A   7           H2         A   7  -6.102  -3.642  -1.726
   77   1H5*    U   8          1H5*        U   8  -7.037   1.618  -6.700
   78   2H5*    U   8          2H5*        U   8  -5.760   1.158  -5.583
   79    H4*    U   8           H4*        U   8  -8.381  -0.349  -5.990
   80    H3*    U   8           H3*        U   8  -7.334   1.694  -4.051
   81    H2*    U   8           H2*        U   8  -8.470   0.589  -2.221
   82   2HO*    U   8          2HO*        U   8 -10.311   0.060  -3.554
   83    H1*    U   8           H1*        U   8  -7.586  -1.872  -2.827
   84    H3     U   8           H3         U   8  -5.056   0.133   0.527
   85    H5     U   8           H5         U   8  -2.917   0.534  -3.071
   86    H6     U   8           H6         U   8  -4.877  -0.185  -4.272
   87   1H5*    G   9          1H5*        G   9 -11.317   1.798  -2.607
   88   2H5*    G   9          2H5*        G   9 -11.807   3.507  -2.596
   89    H4*    G   9           H4*        G   9 -11.893   2.595  -0.328
   90    H3*    G   9           H3*        G   9  -9.541   4.467  -0.746
   91    H2*    G   9           H2*        G   9  -9.327   4.418   1.669
   92   2HO*    G   9          2HO*        G   9 -11.673   3.990   2.078
   93    H1*    G   9           H1*        G   9  -9.203   1.774   1.641
   94    H8     G   9           H8         G   9  -7.883   2.533  -1.769
   95    H1     G   9           H1         G   9  -3.825   4.207   2.912
   96   1H2     G   9          1H2         G   9  -4.904   4.216   4.828
   97   2H2     G   9          2H2         G   9  -6.574   3.723   4.926
   98   1H5*    A  10          1H5*        A  10 -11.976   7.921   1.949
   99   2H5*    A  10          2H5*        A  10 -10.506   7.122   1.418
  100    H4*    A  10           H4*        A  10 -11.532   7.199   4.290
  101    H3*    A  10           H3*        A  10  -9.461   8.828   2.783
  102    H2*    A  10           H2*        A  10  -8.134   8.885   4.804
  103   2HO*    A  10          2HO*        A  10 -10.035   8.980   6.209
  104    H1*    A  10           H1*        A  10  -8.207   6.270   5.214
  105    H8     A  10           H8         A  10  -8.645   6.282   1.518
  106   1H6     A  10          1H6         A  10  -2.586   7.306   1.068
  107   2H6     A  10          2H6         A  10  -4.055   6.888   0.222
  108    H2     A  10           H2         A  10  -3.757   8.004   5.310
  109   1H5*    U  11          1H5*        U  11  -9.614  10.507   6.574
  110   2H5*    U  11          2H5*        U  11  -9.822  12.258   6.459
  111    H4*    U  11           H4*        U  11  -7.823  11.656   7.790
  112    H3*    U  11           H3*        U  11  -7.274  12.888   5.080
  113    H2*    U  11           H2*        U  11  -5.015  13.221   5.882
  114   2HO*    U  11          2HO*        U  11  -5.562  13.508   8.167
  115    H1*    U  11           H1*        U  11  -4.817  10.697   6.616
  116    H3     U  11           H3         U  11  -2.733  11.230   2.595
  117    H5     U  11           H5         U  11  -6.730  10.306   1.660
  118    H6     U  11           H6         U  11  -7.244  10.505   3.979
  119   1H5*    A  12          1H5*        A  12  -6.100  17.074   7.689
  120   2H5*    A  12          2H5*        A  12  -5.886  15.904   6.375
  121    H4*    A  12           H4*        A  12  -3.847  16.514   8.555
  122    H3*    A  12           H3*        A  12  -4.149  17.278   5.635
  123    H2*    A  12           H2*        A  12  -1.728  17.289   5.550
  124   2HO*    A  12          2HO*        A  12  -1.471  18.109   7.715
  125    H1*    A  12           H1*        A  12  -1.417  14.953   6.640
  126    H8     A  12           H8         A  12  -4.708  14.912   4.824
  127   1H6     A  12          1H6         A  12  -1.506  13.262  -0.135
  128   2H6     A  12          2H6         A  12  -3.104  13.496   0.513
  129    H2     A  12           H2         A  12   1.390  14.209   3.090
  130   1H5*    C  13          1H5*        C  13  -1.142  19.473   7.586
  131   2H5*    C  13          2H5*        C  13  -1.153  21.207   7.115
  132    H4*    C  13           H4*        C  13   1.097  20.380   6.902
  133    H3*    C  13           H3*        C  13  -0.085  20.540   4.154
  134    H2*    C  13           H2*        C  13   2.303  20.172   3.612
  135   2HO*    C  13          2HO*        C  13   3.169  21.393   5.318
  136    H1*    C  13           H1*        C  13   2.520  18.041   5.182
  137   1H4     C  13          1H4         C  13   0.193  16.042  -0.370
  138   2H4     C  13          2H4         C  13  -1.427  16.432   0.113
  139    H5     C  13           H5         C  13  -1.933  17.448   2.291
  140    H6     C  13           H6         C  13  -1.008  18.405   4.223
  141   1H5*    A  14          1H5*        A  14   3.489  23.058   4.687
  142   2H5*    A  14          2H5*        A  14   3.601  24.283   3.413
  143    H4*    A  14           H4*        A  14   5.554  22.673   3.551
  144    H3*    A  14           H3*        A  14   4.089  22.694   0.933
  145    H2*    A  14           H2*        A  14   6.031  21.326   0.300
  146   2HO*    A  14          2HO*        A  14   7.621  22.270   1.518
  147    H1*    A  14           H1*        A  14   5.623  19.580   2.211
  148    H8     A  14           H8         A  14   2.055  20.605   1.857
  149   1H6     A  14          1H6         A  14   1.985  17.720  -3.635
  150   2H6     A  14          2H6         A  14   1.028  18.410  -2.323
  151    H2     A  14           H2         A  14   6.258  18.401  -2.528
  152   1H5*    A  15          1H5*        A  15   6.943  25.468  -2.263
  153   2H5*    A  15          2H5*        A  15   5.272  25.846  -1.837
  154    H4*    A  15           H4*        A  15   5.349  25.474  -4.064
  155    H3*    A  15           H3*        A  15   3.769  23.710  -2.555
  156    H2*    A  15           H2*        A  15   4.552  21.720  -2.919
  157   2HO*    A  15          2HO*        A  15   3.739  22.358  -5.526
  158    H1*    A  15           H1*        A  15   6.256  22.030  -5.236
  159    H8     A  15           H8         A  15   6.027  21.898  -1.487
  160   1H6     A  15          1H6         A  15  11.044  18.339  -1.740
  161   2H6     A  15          2H6         A  15   9.863  19.115  -0.675
  162    H2     A  15           H2         A  15  10.009  19.626  -5.812
  163   1H5*    U  16          1H5*        U  16   5.319  24.510  -8.118
  164   2H5*    U  16          2H5*        U  16   3.710  24.094  -8.723
  165    H4*    U  16           H4*        U  16   5.437  22.829  -9.872
  166    H3*    U  16           H3*        U  16   3.670  21.125  -8.101
  167    H2*    U  16           H2*        U  16   4.830  19.260  -9.020
  168   2HO*    U  16          2HO*        U  16   4.656  20.038 -11.213
  169    H1*    U  16           H1*        U  16   7.313  20.554  -9.303
  170    H3     U  16           H3         U  16   8.441  17.276  -6.405
  171    H5     U  16           H5         U  16   5.251  19.262  -4.502
  172    H6     U  16           H6         U  16   5.077  20.666  -6.361
  173   1H5*    U  17          1H5*        U  17   1.433  17.749 -11.103
  174   2H5*    U  17          2H5*        U  17   2.404  17.740  -9.655
  175    H4*    U  17           H4*        U  17   3.691  17.194 -12.347
  176    H3*    U  17           H3*        U  17   1.698  15.526 -11.055
  177    H2*    U  17           H2*        U  17   3.060  13.727 -10.253
  178   2HO*    U  17          2HO*        U  17   4.150  13.953 -12.472
  179    H1*    U  17           H1*        U  17   5.267  15.030  -9.471
  180    H3     U  17           H3         U  17   3.901  17.372  -5.731
  181    H5     U  17           H5         U  17   0.472  15.497  -7.251
  182    H6     U  17           H6         U  17   1.695  14.798  -9.142
  183   1H5*    U  18          1H5*        U  18   3.558  12.185 -12.715
  184   2H5*    U  18          2H5*        U  18   2.400  11.399 -13.746
  185    H4*    U  18           H4*        U  18   1.507  10.435 -11.424
  186    H3*    U  18           H3*        U  18   3.891  11.678 -10.502
  187    H2*    U  18           H2*        U  18   5.611  10.154 -10.839
  188   2HO*    U  18          2HO*        U  18   3.983   8.783  -9.384
  189    H1*    U  18           H1*        U  18   4.589   8.163 -12.439
  190    H3     U  18           H3         U  18   5.657   9.778 -16.598
  191    H5     U  18           H5         U  18   6.687  12.824 -13.911
  192    H6     U  18           H6         U  18   5.641  11.629 -12.177
  193   1H5*    G  19          1H5*        G  19   3.952  10.683  -6.518
  194   2H5*    G  19          2H5*        G  19   2.341  10.893  -5.852
  195    H4*    G  19           H4*        G  19   4.566  12.972  -5.811
  196    H3*    G  19           H3*        G  19   3.288  11.140  -3.762
  197    H2*    G  19           H2*        G  19   3.694  12.820  -2.096
  198   2HO*    G  19          2HO*        G  19   5.816  13.314  -2.957
  199    H1*    G  19           H1*        G  19   2.987  14.929  -3.664
  200    H8     G  19           H8         G  19   1.563  14.971  -1.397
  201    H1     G  19           H1         G  19  -2.349  10.484  -3.796
  202   1H2     G  19          1H2         G  19  -1.391   9.539  -5.592
  203   2H2     G  19          2H2         G  19   0.135  10.127  -6.205
  204   1H5*    A  20          1H5*        A  20   6.847  11.746  -1.371
  205   2H5*    A  20          2H5*        A  20   7.305  10.088  -0.926
  206    H4*    A  20           H4*        A  20   6.889  11.414   1.071
  207    H3*    A  20           H3*        A  20   4.756   9.293   0.579
  208    H2*    A  20           H2*        A  20   3.933   9.949   2.768
  209   2HO*    A  20          2HO*        A  20   6.097  10.302   3.599
  210    H1*    A  20           H1*        A  20   3.919  12.565   2.238
  211    H8     A  20           H8         A  20   3.310  11.128  -1.149
  212   1H6     A  20          1H6         A  20  -2.541  10.203   0.597
  213   2H6     A  20          2H6         A  20  -1.399  10.137  -0.705
  214    H2     A  20           H2         A  20  -0.203  11.278   4.230
  215   1H5*    U  21          1H5*        U  21   6.219   8.915   4.622
  216   2H5*    U  21          2H5*        U  21   6.296   7.210   5.105
  217    H4*    U  21           H4*        U  21   4.833   8.638   6.584
  218    H3*    U  21           H3*        U  21   3.563   6.304   5.112
  219    H2*    U  21           H2*        U  21   1.541   6.874   6.300
  220   2HO*    U  21          2HO*        U  21   2.577   7.382   8.278
  221    H1*    U  21           H1*        U  21   1.665   9.522   5.891
  222    H3     U  21           H3         U  21  -1.633   7.663   3.310
  223    H5     U  21           H5         U  21   1.844   7.446   0.978
  224    H6     U  21           H6         U  21   3.112   8.165   2.866
  225   1H5*    C  22          1H5*        C  22   2.150   6.124   9.169
  226   2H5*    C  22          2H5*        C  22   2.052   4.433   9.666
  227    H4*    C  22           H4*        C  22  -0.136   5.616   9.766
  228    H3*    C  22           H3*        C  22   0.023   3.447   7.660
  229    H2*    C  22           H2*        C  22  -2.393   3.665   7.589
  230   2HO*    C  22          2HO*        C  22  -2.715   4.274   9.839
  231    H1*    C  22           H1*        C  22  -2.221   6.273   7.217
  232   1H4     C  22          1H4         C  22  -1.810   3.664   1.491
  233   2H4     C  22          2H4         C  22  -0.065   3.646   1.609
  234    H5     C  22           H5         C  22   1.153   4.312   3.617
  235    H6     C  22           H6         C  22   0.911   5.064   5.874
  236   1H5*    A  23          1H5*        A  23  -2.975   0.761  11.043
  237   2H5*    A  23          2H5*        A  23  -2.442   1.107   9.405
  238    H4*    A  23           H4*        A  23  -5.162   1.838  10.577
  239    H3*    A  23           H3*        A  23  -4.133  -0.422   8.879
  240    H2*    A  23           H2*        A  23  -6.089  -0.314   7.461
  241   2HO*    A  23          2HO*        A  23  -7.416   0.187   9.426
  242    H1*    A  23           H1*        A  23  -6.116   2.360   7.157
  243    H8     A  23           H8         A  23  -2.467   1.729   7.492
  244   1H6     A  23          1H6         A  23  -2.592   0.263   1.462
  245   2H6     A  23          2H6         A  23  -1.568   0.692   2.836
  246    H2     A  23           H2         A  23  -6.749   0.115   3.011
  247   1H5*    G  24          1H5*        G  24  -7.810  -1.493   8.558
  248   2H5*    G  24          2H5*        G  24  -8.139  -3.106   9.187
  249    H4*    G  24           H4*        G  24  -8.711  -2.807   6.764
  250    H3*    G  24           H3*        G  24  -6.720  -4.868   7.643
  251    H2*    G  24           H2*        G  24  -6.500  -5.564   5.356
  252   2HO*    G  24          2HO*        G  24  -8.683  -5.174   4.712
  253    H1*    G  24           H1*        G  24  -6.004  -3.146   4.379
  254    H8     G  24           H8         G  24  -4.567  -1.848   7.102
  255    H1     G  24           H1         G  24  -1.251  -7.187   5.960
  256   1H2     G  24          1H2         G  24  -2.473  -8.566   4.703
  257   2H2     G  24          2H2         G  24  -4.078  -8.118   4.186
  258   1H5*    U  25          1H5*        U  25 -11.009  -5.440   5.367
  259   2H5*    U  25          2H5*        U  25 -11.393  -7.172   5.281
  260    H4*    U  25           H4*        U  25 -11.969  -6.028   3.176
  261    H3*    U  25           H3*        U  25  -9.799  -8.099   3.104
  262    H2*    U  25           H2*        U  25  -9.440  -7.642   0.782
  263   2HO*    U  25          2HO*        U  25 -11.648  -7.595   0.245
  264    H1*    U  25           H1*        U  25  -9.773  -4.933   0.859
  265    H3     U  25           H3         U  25  -5.347  -4.328   0.603
  266    H5     U  25           H5         U  25  -5.701  -7.275   3.566
  267    H6     U  25           H6         U  25  -8.073  -7.215   3.292
  268   1H5*    A  26          1H5*        A  26 -10.631 -11.255  -0.615
  269   2H5*    A  26          2H5*        A  26  -9.387 -10.221   0.080
  270    H4*    A  26           H4*        A  26 -10.995  -9.570  -2.428
  271    H3*    A  26           H3*        A  26  -8.275 -10.780  -1.928
  272    H2*    A  26           H2*        A  26  -7.392  -9.557  -3.807
  273   2HO*    A  26          2HO*        A  26  -9.384  -9.850  -5.048
  274    H1*    A  26           H1*        A  26  -8.458  -7.202  -3.136
  275    H8     A  26           H8         A  26  -7.870  -8.901   0.143
  276   1H6     A  26          1H6         A  26  -2.076  -6.773  -0.238
  277   2H6     A  26          2H6         A  26  -3.306  -7.427   0.813
  278    H2     A  26           H2         A  26  -3.930  -6.371  -4.244
  279   1H5*    U  27          1H5*        U  27  -8.508 -11.093  -5.989
  280   2H5*    U  27          2H5*        U  27  -8.026 -12.703  -6.549
  281    H4*    U  27           H4*        U  27  -6.613 -10.973  -7.556
  282    H3*    U  27           H3*        U  27  -5.151 -12.740  -5.554
  283    H2*    U  27           H2*        U  27  -3.166 -11.589  -6.315
  284   2HO*    U  27          2HO*        U  27  -3.891 -11.488  -8.520
  285    H1*    U  27           H1*        U  27  -4.217  -9.124  -6.097
  286    H3     U  27           H3         U  27  -1.439 -10.006  -2.537
  287    H5     U  27           H5         U  27  -5.228 -11.350  -1.353
  288    H6     U  27           H6         U  27  -5.999 -10.984  -3.594
  289   1H5*    A  28          1H5*        A  28  -2.934 -12.873  -9.206
  290   2H5*    A  28          2H5*        A  28  -2.403 -14.529  -9.540
  291    H4*    A  28           H4*        A  28  -0.510 -12.999  -9.608
  292    H3*    A  28           H3*        A  28  -0.435 -14.906  -7.236
  293    H2*    A  28           H2*        A  28   1.741 -13.930  -6.794
  294   2HO*    A  28          2HO*        A  28   2.258 -13.767  -9.075
  295    H1*    A  28           H1*        A  28   0.950 -11.393  -7.025
  296    H8     A  28           H8         A  28  -2.113 -13.081  -5.671
  297   1H6     A  28          1H6         A  28   0.541 -12.550  -0.101
  298   2H6     A  28          2H6         A  28  -0.937 -12.833  -0.977
  299    H2     A  28           H2         A  28   3.680 -11.839  -3.168
  300   1H5*    U  29          1H5*        U  29   3.326 -15.012  -9.166
  301   2H5*    U  29          2H5*        U  29   4.018 -16.636  -9.220
  302    H4*    U  29           H4*        U  29   5.525 -15.025  -8.109
  303    H3*    U  29           H3*        U  29   4.423 -17.195  -6.261
  304    H2*    U  29           H2*        U  29   5.959 -16.243  -4.631
  305   2HO*    U  29          2HO*        U  29   7.558 -15.753  -6.304
  306    H1*    U  29           H1*        U  29   5.164 -13.713  -5.008
  307    H3     U  29           H3         U  29   3.302 -15.475  -1.208
  308    H5     U  29           H5         U  29   0.592 -16.393  -4.268
  309    H6     U  29           H6         U  29   2.186 -15.581  -5.859
  310   1H5*    C  30          1H5*        C  30   8.535 -16.947  -5.659
  311   2H5*    C  30          2H5*        C  30   9.301 -18.537  -5.613
  312    H4*    C  30           H4*        C  30   9.833 -17.204  -3.608
  313    H3*    C  30           H3*        C  30   8.125 -19.688  -3.072
  314    H2*    C  30           H2*        C  30   8.450 -19.133  -0.743
  315   2HO*    C  30          2HO*        C  30  10.647 -18.306  -1.227
  316    H1*    C  30           H1*        C  30   7.772 -16.547  -1.007
  317   1H4     C  30          1H4         C  30   2.336 -19.574  -0.032
  318   2H4     C  30          2H4         C  30   1.977 -19.533  -1.760
  319    H5     C  30           H5         C  30   3.639 -18.840  -3.405
  320    H6     C  30           H6         C  30   5.843 -17.964  -3.682
  321   1H5*    C  31          1H5*        C  31  11.155 -19.649  -0.267
  322   2H5*    C  31          2H5*        C  31  12.017 -21.190  -0.267
  323    H4*    C  31           H4*        C  31  11.309 -20.689   2.004
  324    H3*    C  31           H3*        C  31   9.678 -22.893   0.671
  325    H2*    C  31           H2*        C  31   8.712 -23.254   2.848
  326   2HO*    C  31          2HO*        C  31  10.764 -22.829   3.957
  327    H1*    C  31           H1*        C  31   8.275 -20.605   3.319
  328   1H4     C  31          1H4         C  31   3.004 -22.817   0.704
  329   2H4     C  31          2H4         C  31   3.583 -22.413  -0.909
  330    H5     C  31           H5         C  31   5.847 -21.608  -1.329
  331    H6     C  31           H6         C  31   7.924 -20.994  -0.306
  332    H3T    C  31           H3T        C  31  11.892 -23.340   0.959
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  -2.593 -27.095   7.541
    2   2H5*    G   1          2H5*        G   1  -2.255 -25.510   8.267
    3    H4*    G   1           H4*        G   1  -0.181 -26.746   8.129
    4    H3*    G   1           H3*        G   1  -0.402 -24.517   6.091
    5    H2*    G   1           H2*        G   1   1.908 -24.992   5.540
    6   2HO*    G   1          2HO*        G   1   2.541 -25.433   7.734
    7    H1*    G   1           H1*        G   1   1.550 -27.649   5.347
    8    H8     G   1           H8         G   1  -1.767 -26.401   4.196
    9    H1     G   1           H1         G   1   2.907 -25.323  -0.063
   10   1H2     G   1          1H2         G   1   4.881 -25.681   0.894
   11   2H2     G   1          2H2         G   1   5.003 -26.199   2.567
   12    H5T    G   1           H5T        G   1  -2.300 -24.595   6.205
   13   1H5*    G   2          1H5*        G   2   3.188 -23.879   8.154
   14   2H5*    G   2          2H5*        G   2   3.400 -22.170   8.568
   15    H4*    G   2           H4*        G   2   5.340 -23.041   7.346
   16    H3*    G   2           H3*        G   2   3.718 -20.968   5.838
   17    H2*    G   2           H2*        G   2   5.494 -21.082   4.174
   18   2HO*    G   2          2HO*        G   2   7.149 -21.379   5.844
   19    H1*    G   2           H1*        G   2   5.518 -23.767   4.040
   20    H8     G   2           H8         G   2   1.919 -23.146   4.762
   21    H1     G   2           H1         G   2   3.603 -21.283  -1.146
   22   1H2     G   2          1H2         G   2   5.818 -21.245  -1.309
   23   2H2     G   2          2H2         G   2   6.846 -21.747   0.028
   24   1H5*    A   3          1H5*        A   3   7.766 -19.900   5.543
   25   2H5*    A   3          2H5*        A   3   8.016 -18.189   5.914
   26    H4*    A   3           H4*        A   3   9.028 -18.787   3.763
   27    H3*    A   3           H3*        A   3   6.656 -16.904   3.604
   28    H2*    A   3           H2*        A   3   7.186 -16.727   1.240
   29   2HO*    A   3          2HO*        A   3   9.523 -16.859   1.675
   30    H1*    A   3           H1*        A   3   7.398 -19.374   0.839
   31    H8     A   3           H8         A   3   4.824 -19.315   3.524
   32   1H6     A   3          1H6         A   3   0.717 -17.845  -0.874
   33   2H6     A   3          2H6         A   3   0.947 -18.459   0.750
   34    H2     A   3           H2         A   3   4.797 -17.121  -2.505
   35   1H5*    U   4          1H5*        U   4   9.740 -15.354   1.277
   36   2H5*    U   4          2H5*        U   4   9.984 -13.624   1.534
   37    H4*    U   4           H4*        U   4   9.600 -14.153  -0.857
   38    H3*    U   4           H3*        U   4   7.436 -12.514   0.515
   39    H2*    U   4           H2*        U   4   6.480 -12.301  -1.711
   40   2HO*    U   4          2HO*        U   4   8.574 -12.160  -2.746
   41    H1*    U   4           H1*        U   4   6.691 -14.925  -2.311
   42    H3     U   4           H3         U   4   2.335 -13.802  -1.341
   43    H5     U   4           H5         U   4   4.035 -15.036   2.296
   44    H6     U   4           H6         U   4   6.187 -15.040   1.243
   45   1H5*    A   5          1H5*        A   5   8.664 -10.583  -3.029
   46   2H5*    A   5          2H5*        A   5   8.740  -8.824  -2.852
   47    H4*    A   5           H4*        A   5   7.290  -9.472  -4.721
   48    H3*    A   5           H3*        A   5   5.799  -8.216  -2.386
   49    H2*    A   5           H2*        A   5   3.891  -8.246  -3.887
   50   2HO*    A   5          2HO*        A   5   5.126  -7.759  -5.796
   51    H1*    A   5           H1*        A   5   4.211 -10.818  -4.582
   52    H8     A   5           H8         A   5   5.517 -10.745  -1.064
   53   1H6     A   5          1H6         A   5  -0.422 -11.030   0.715
   54   2H6     A   5          2H6         A   5   1.255 -11.190   1.234
   55    H2     A   5           H2         A   5  -0.324  -9.991  -3.601
   56   1H5*    U   6          1H5*        U   6   4.883  -6.201  -5.974
   57   2H5*    U   6          2H5*        U   6   4.686  -4.456  -5.734
   58    H4*    U   6           H4*        U   6   2.657  -5.527  -6.713
   59    H3*    U   6           H3*        U   6   2.313  -4.523  -3.874
   60    H2*    U   6           H2*        U   6  -0.069  -4.782  -4.339
   61   2HO*    U   6          2HO*        U   6   0.033  -4.357  -6.666
   62    H1*    U   6           H1*        U   6   0.326  -7.298  -5.082
   63    H3     U   6           H3         U   6  -1.128  -7.154  -0.740
   64    H5     U   6           H5         U   6   3.062  -7.056  -0.516
   65    H6     U   6           H6         U   6   3.125  -6.753  -2.895
   66   1H5*    A   7          1H5*        A   7  -0.547  -0.871  -6.477
   67   2H5*    A   7          2H5*        A   7  -0.104  -1.811  -5.049
   68    H4*    A   7           H4*        A   7  -2.487  -2.398  -6.865
   69    H3*    A   7           H3*        A   7  -2.129  -1.158  -4.134
   70    H2*    A   7           H2*        A   7  -4.380  -1.912  -3.597
   71   2HO*    A   7          2HO*        A   7  -5.228  -1.845  -5.834
   72    H1*    A   7           H1*        A   7  -3.688  -4.418  -4.181
   73    H8     A   7           H8         A   7  -0.312  -3.054  -3.462
   74   1H6     A   7          1H6         A   7  -1.686  -3.289   2.550
   75   2H6     A   7          2H6         A   7  -0.402  -3.075   1.377
   76    H2     A   7           H2         A   7  -5.455  -3.816   0.279
   77   1H5*    U   8          1H5*        U   8  -6.057   1.743  -5.238
   78   2H5*    U   8          2H5*        U   8  -4.957   0.902  -4.155
   79    H4*    U   8           H4*        U   8  -7.856   0.062  -4.575
   80    H3*    U   8           H3*        U   8  -6.454   1.897  -2.632
   81    H2*    U   8           H2*        U   8  -8.155   1.352  -0.984
   82   2HO*    U   8          2HO*        U   8  -9.674   0.624  -3.017
   83    H1*    U   8           H1*        U   8  -7.625  -1.229  -1.255
   84    H3     U   8           H3         U   8  -5.152   0.866   2.121
   85    H5     U   8           H5         U   8  -2.567   0.177  -1.139
   86    H6     U   8           H6         U   8  -4.498  -0.302  -2.497
   87   1H5*    G   9          1H5*        G   9 -10.518   4.996  -3.034
   88   2H5*    G   9          2H5*        G   9  -9.022   4.413  -2.318
   89    H4*    G   9           H4*        G   9 -11.778   4.366  -1.008
   90    H3*    G   9           H3*        G   9  -9.155   5.822  -0.664
   91    H2*    G   9           H2*        G   9  -9.615   6.072   1.697
   92   2HO*    G   9          2HO*        G   9 -12.068   5.982   1.368
   93    H1*    G   9           H1*        G   9  -9.865   3.428   1.930
   94    H8     G   9           H8         G   9  -7.785   3.294  -1.097
   95    H1     G   9           H1         G   9  -4.504   5.476   3.969
   96   1H2     G   9          1H2         G   9  -5.935   6.216   5.521
   97   2H2     G   9          2H2         G   9  -7.663   6.047   5.292
   98   1H5*    A  10          1H5*        A  10 -11.641   9.944   0.824
   99   2H5*    A  10          2H5*        A  10 -10.231   8.907   0.616
  100    H4*    A  10           H4*        A  10 -11.631   9.451   3.269
  101    H3*    A  10           H3*        A  10  -9.200  10.600   1.890
  102    H2*    A  10           H2*        A  10  -8.072  10.730   4.020
  103   2HO*    A  10          2HO*        A  10 -10.058  11.268   5.191
  104    H1*    A  10           H1*        A  10  -8.609   8.214   4.738
  105    H8     A  10           H8         A  10  -8.604   7.769   1.059
  106   1H6     A  10          1H6         A  10  -2.414   7.812   1.368
  107   2H6     A  10          2H6         A  10  -3.811   7.458   0.353
  108    H2     A  10           H2         A  10  -3.986   9.361   5.213
  109   1H5*    U  11          1H5*        U  11  -9.537  12.701   5.421
  110   2H5*    U  11          2H5*        U  11  -9.435  14.440   5.122
  111    H4*    U  11           H4*        U  11  -7.720  13.696   6.754
  112    H3*    U  11           H3*        U  11  -6.703  14.525   4.026
  113    H2*    U  11           H2*        U  11  -4.517  14.639   5.054
  114   2HO*    U  11          2HO*        U  11  -5.254  15.279   7.217
  115    H1*    U  11           H1*        U  11  -4.818  12.195   6.102
  116    H3     U  11           H3         U  11  -2.129  11.913   2.442
  117    H5     U  11           H5         U  11  -6.050  11.491   0.972
  118    H6     U  11           H6         U  11  -6.863  12.063   3.147
  119   1H5*    A  12          1H5*        A  12  -5.227  18.768   6.389
  120   2H5*    A  12          2H5*        A  12  -5.088  17.461   5.199
  121    H4*    A  12           H4*        A  12  -3.146  17.958   7.501
  122    H3*    A  12           H3*        A  12  -3.134  18.528   4.524
  123    H2*    A  12           H2*        A  12  -0.743  18.253   4.621
  124   2HO*    A  12          2HO*        A  12  -0.434  19.272   6.671
  125    H1*    A  12           H1*        A  12  -0.792  16.064   6.119
  126    H8     A  12           H8         A  12  -3.709  16.022   3.745
  127   1H6     A  12          1H6         A  12   0.202  13.493  -0.352
  128   2H6     A  12          2H6         A  12  -1.475  13.901  -0.050
  129    H2     A  12           H2         A  12   2.534  14.762   3.196
  130   1H5*    C  13          1H5*        C  13  -0.204  20.597   6.880
  131   2H5*    C  13          2H5*        C  13   0.014  22.291   6.350
  132    H4*    C  13           H4*        C  13   2.202  21.216   6.595
  133    H3*    C  13           H3*        C  13   1.412  21.732   3.743
  134    H2*    C  13           H2*        C  13   3.681  20.964   3.234
  135   2HO*    C  13          2HO*        C  13   4.635  22.029   5.044
  136    H1*    C  13           H1*        C  13   3.631  18.820   4.880
  137   1H4     C  13          1H4         C  13   1.751  16.676  -0.744
  138   2H4     C  13          2H4         C  13   0.097  17.174  -0.458
  139    H5     C  13           H5         C  13  -0.563  18.400   1.592
  140    H6     C  13           H6         C  13   0.245  19.406   3.580
  141   1H5*    A  14          1H5*        A  14   5.304  23.540   4.422
  142   2H5*    A  14          2H5*        A  14   5.472  24.972   3.387
  143    H4*    A  14           H4*        A  14   7.171  23.189   2.908
  144    H3*    A  14           H3*        A  14   5.255  23.793   0.655
  145    H2*    A  14           H2*        A  14   6.722  22.366  -0.625
  146   2HO*    A  14          2HO*        A  14   8.720  23.003   0.359
  147    H1*    A  14           H1*        A  14   6.707  20.380   1.214
  148    H8     A  14           H8         A  14   3.242  21.733   1.597
  149   1H6     A  14          1H6         A  14   1.956  18.994  -3.824
  150   2H6     A  14          2H6         A  14   1.256  19.717  -2.376
  151    H2     A  14           H2         A  14   6.332  18.956  -3.299
  152   1H5*    A  15          1H5*        A  15   7.925  26.324  -2.820
  153   2H5*    A  15          2H5*        A  15   6.286  26.823  -2.374
  154    H4*    A  15           H4*        A  15   6.313  26.133  -4.692
  155    H3*    A  15           H3*        A  15   4.456  25.099  -3.020
  156    H2*    A  15           H2*        A  15   5.879  23.232  -2.388
  157   2HO*    A  15          2HO*        A  15   4.427  21.976  -4.465
  158    H1*    A  15           H1*        A  15   6.184  22.922  -5.377
  159    H8     A  15           H8         A  15   7.965  22.392  -2.045
  160   1H6     A  15          1H6         A  15  10.556  17.486  -4.830
  161   2H6     A  15          2H6         A  15  10.382  18.333  -3.294
  162    H2     A  15           H2         A  15   8.284  19.779  -7.843
  163   1H5*    U  16          1H5*        U  16   5.121  25.168  -7.737
  164   2H5*    U  16          2H5*        U  16   3.971  25.962  -8.827
  165    H4*    U  16           H4*        U  16   2.905  23.703  -9.219
  166    H3*    U  16           H3*        U  16   4.752  22.991  -7.095
  167    H2*    U  16           H2*        U  16   6.213  21.503  -8.206
  168   2HO*    U  16          2HO*        U  16   4.486  20.276  -9.142
  169    H1*    U  16           H1*        U  16   6.389  22.647 -10.626
  170    H3     U  16           H3         U  16   8.879  26.455  -9.879
  171    H5     U  16           H5         U  16   8.525  24.536  -6.179
  172    H6     U  16           H6         U  16   6.891  23.083  -7.097
  173   1H5*    U  17          1H5*        U  17   2.581  17.964  -7.819
  174   2H5*    U  17          2H5*        U  17   3.877  17.634  -6.677
  175    H4*    U  17           H4*        U  17   4.422  17.757  -9.669
  176    H3*    U  17           H3*        U  17   2.840  15.769  -8.240
  177    H2*    U  17           H2*        U  17   4.332  13.880  -8.406
  178   2HO*    U  17          2HO*        U  17   4.766  14.664 -10.702
  179    H1*    U  17           H1*        U  17   6.642  15.066  -7.841
  180    H3     U  17           H3         U  17   6.032  16.696  -3.482
  181    H5     U  17           H5         U  17   2.495  14.722  -4.559
  182    H6     U  17           H6         U  17   3.335  14.492  -6.772
  183   1H5*    U  18          1H5*        U  18   4.061  13.148 -11.285
  184   2H5*    U  18          2H5*        U  18   2.616  12.417 -11.956
  185    H4*    U  18           H4*        U  18   2.857  11.055  -9.551
  186    H3*    U  18           H3*        U  18   5.459  12.179 -10.168
  187    H2*    U  18           H2*        U  18   6.634  10.339 -11.039
  188   2HO*    U  18          2HO*        U  18   6.060   8.988  -9.200
  189    H1*    U  18           H1*        U  18   4.713   8.988 -12.341
  190    H3     U  18           H3         U  18   3.914  11.600 -16.052
  191    H5     U  18           H5         U  18   6.594  13.791 -13.696
  192    H6     U  18           H6         U  18   6.317  12.191 -11.942
  193   1H5*    G  19          1H5*        G  19   6.821   9.811  -5.341
  194   2H5*    G  19          2H5*        G  19   5.139  10.381  -5.473
  195    H4*    G  19           H4*        G  19   7.352  11.931  -4.056
  196    H3*    G  19           H3*        G  19   5.381   9.916  -2.929
  197    H2*    G  19           H2*        G  19   5.412  11.230  -0.925
  198   2HO*    G  19          2HO*        G  19   7.717  11.583  -1.034
  199    H1*    G  19           H1*        G  19   5.381  13.660  -2.221
  200    H8     G  19           H8         G  19   3.153  14.163  -1.040
  201    H1     G  19           H1         G  19   0.209   9.175  -3.793
  202   1H2     G  19          1H2         G  19   1.728   7.862  -4.789
  203   2H2     G  19          2H2         G  19   3.417   8.308  -4.813
  204   1H5*    A  20          1H5*        A  20   7.086   7.669   1.147
  205   2H5*    A  20          2H5*        A  20   5.590   8.364   0.516
  206    H4*    A  20           H4*        A  20   7.461   9.628   2.568
  207    H3*    A  20           H3*        A  20   4.674   8.484   2.473
  208    H2*    A  20           H2*        A  20   4.000   9.954   4.256
  209   2HO*    A  20          2HO*        A  20   6.184  10.096   5.287
  210    H1*    A  20           H1*        A  20   4.784  12.073   2.885
  211    H8     A  20           H8         A  20   4.318   9.843  -0.042
  212   1H6     A  20          1H6         A  20  -1.792  10.605   0.644
  213   2H6     A  20          2H6         A  20  -0.526  10.060  -0.424
  214    H2     A  20           H2         A  20   0.178  12.025   4.361
  215   1H5*    U  21          1H5*        U  21   5.204   7.030   7.361
  216   2H5*    U  21          2H5*        U  21   4.360   7.265   5.831
  217    H4*    U  21           H4*        U  21   4.243   9.178   8.206
  218    H3*    U  21           H3*        U  21   2.477   6.945   7.206
  219    H2*    U  21           H2*        U  21   0.525   8.250   7.786
  220   2HO*    U  21          2HO*        U  21   1.579   9.095   9.739
  221    H1*    U  21           H1*        U  21   1.390  10.550   6.689
  222    H3     U  21           H3         U  21  -1.722   8.557   3.934
  223    H5     U  21           H5         U  21   2.032   7.268   2.581
  224    H6     U  21           H6         U  21   3.034   8.223   4.560
  225   1H5*    C  22          1H5*        C  22   0.542   7.989  10.720
  226   2H5*    C  22          2H5*        C  22   0.104   6.532  11.632
  227    H4*    C  22           H4*        C  22  -1.869   7.928  11.040
  228    H3*    C  22           H3*        C  22  -1.747   5.148   9.813
  229    H2*    C  22           H2*        C  22  -3.948   5.617   8.945
  230   2HO*    C  22          2HO*        C  22  -4.624   6.733  10.877
  231    H1*    C  22           H1*        C  22  -3.395   8.111   8.083
  232   1H4     C  22          1H4         C  22  -2.294   4.392   3.099
  233   2H4     C  22          2H4         C  22  -0.591   4.299   3.524
  234    H5     C  22           H5         C  22   0.307   5.230   5.615
  235    H6     C  22           H6         C  22  -0.274   6.418   7.627
  236   1H5*    A  23          1H5*        A  23  -5.677   5.737  11.620
  237   2H5*    A  23          2H5*        A  23  -6.140   4.225  12.419
  238    H4*    A  23           H4*        A  23  -7.832   4.986  10.772
  239    H3*    A  23           H3*        A  23  -6.422   2.377  10.175
  240    H2*    A  23           H2*        A  23  -7.956   2.146   8.378
  241   2HO*    A  23          2HO*        A  23  -9.822   3.001   9.407
  242    H1*    A  23           H1*        A  23  -7.641   4.670   7.425
  243    H8     A  23           H8         A  23  -4.308   3.696   8.832
  244   1H6     A  23          1H6         A  23  -3.178   1.049   3.343
  245   2H6     A  23          2H6         A  23  -2.482   1.536   4.887
  246    H2     A  23           H2         A  23  -7.508   1.971   3.576
  247   1H5*    G  24          1H5*        G  24  -8.937   0.276   8.424
  248   2H5*    G  24          2H5*        G  24  -9.895  -0.830   9.402
  249    H4*    G  24           H4*        G  24  -8.105  -2.443   9.481
  250    H3*    G  24           H3*        G  24  -6.233  -0.538   9.269
  251    H2*    G  24           H2*        G  24  -6.884   0.469   7.285
  252   2HO*    G  24          2HO*        G  24  -5.024  -1.548   6.800
  253    H1*    G  24           H1*        G  24  -7.351  -2.015   5.744
  254    H8     G  24           H8         G  24  -8.484   1.404   6.811
  255    H1     G  24           H1         G  24 -11.650  -1.016   1.793
  256   1H2     G  24          1H2         G  24 -11.003  -3.147   1.470
  257   2H2     G  24          2H2         G  24  -9.867  -3.911   2.563
  258   1H5*    U  25          1H5*        U  25  -7.475  -6.205   9.605
  259   2H5*    U  25          2H5*        U  25  -5.888  -5.947   8.884
  260    H4*    U  25           H4*        U  25  -8.580  -4.936   7.837
  261    H3*    U  25           H3*        U  25  -6.618  -7.095   7.010
  262    H2*    U  25           H2*        U  25  -7.319  -6.761   4.744
  263   2HO*    U  25          2HO*        U  25  -9.553  -6.549   5.206
  264    H1*    U  25           H1*        U  25  -7.348  -4.035   4.878
  265    H3     U  25           H3         U  25  -3.682  -4.980   2.371
  266    H5     U  25           H5         U  25  -2.437  -5.615   6.328
  267    H6     U  25           H6         U  25  -4.729  -5.332   7.047
  268   1H5*    A  26          1H5*        A  26  -9.539 -10.360   4.134
  269   2H5*    A  26          2H5*        A  26  -7.899  -9.705   4.117
  270    H4*    A  26           H4*        A  26 -10.300  -8.606   2.596
  271    H3*    A  26           H3*        A  26  -7.834 -10.197   1.927
  272    H2*    A  26           H2*        A  26  -7.528  -8.967  -0.128
  273   2HO*    A  26          2HO*        A  26  -9.873  -8.841  -0.498
  274    H1*    A  26           H1*        A  26  -7.769  -6.542   0.968
  275    H8     A  26           H8         A  26  -6.470  -8.386   3.923
  276   1H6     A  26          1H6         A  26  -0.861  -8.031   1.322
  277   2H6     A  26          2H6         A  26  -1.755  -8.398   2.780
  278    H2     A  26           H2         A  26  -3.881  -6.986  -1.774
  279   1H5*    U  27          1H5*        U  27  -9.657 -10.066  -1.737
  280   2H5*    U  27          2H5*        U  27  -9.781 -11.678  -2.465
  281    H4*    U  27           H4*        U  27  -8.582 -10.107  -3.946
  282    H3*    U  27           H3*        U  27  -6.908 -12.364  -2.800
  283    H2*    U  27           H2*        U  27  -5.144 -11.535  -4.258
  284   2HO*    U  27          2HO*        U  27  -6.617 -11.024  -5.987
  285    H1*    U  27           H1*        U  27  -5.438  -8.947  -3.571
  286    H3     U  27           H3         U  27  -1.752 -10.834  -1.522
  287    H5     U  27           H5         U  27  -4.947 -11.339   1.154
  288    H6     U  27           H6         U  27  -6.441 -10.595  -0.571
  289   1H5*    A  28          1H5*        A  28  -6.399 -12.253  -7.047
  290   2H5*    A  28          2H5*        A  28  -6.294 -13.878  -7.744
  291    H4*    A  28           H4*        A  28  -4.345 -12.510  -8.351
  292    H3*    A  28           H3*        A  28  -3.706 -14.839  -6.507
  293    H2*    A  28           H2*        A  28  -1.378 -14.202  -6.880
  294   2HO*    A  28          2HO*        A  28  -1.821 -13.597  -9.130
  295    H1*    A  28           H1*        A  28  -1.776 -11.600  -6.337
  296    H8     A  28           H8         A  28  -4.350 -13.277  -4.186
  297   1H6     A  28          1H6         A  28   0.214 -14.428  -0.174
  298   2H6     A  28          2H6         A  28  -1.527 -14.391  -0.422
  299    H2     A  28           H2         A  28   2.061 -13.195  -4.024
  300   1H5*    U  29          1H5*        U  29  -1.020 -14.918  -9.731
  301   2H5*    U  29          2H5*        U  29  -0.731 -16.558 -10.335
  302    H4*    U  29           H4*        U  29   1.377 -15.429  -9.700
  303    H3*    U  29           H3*        U  29   0.625 -17.801  -7.942
  304    H2*    U  29           H2*        U  29   2.825 -17.462  -6.953
  305   2HO*    U  29          2HO*        U  29   3.770 -16.830  -9.024
  306    H1*    U  29           H1*        U  29   2.494 -14.819  -6.576
  307    H3     U  29           H3         U  29   1.875 -17.106  -2.655
  308    H5     U  29           H5         U  29  -1.924 -16.901  -4.424
  309    H6     U  29           H6         U  29  -0.893 -16.028  -6.406
  310   1H5*    C  30          1H5*        C  30   4.605 -18.252  -9.170
  311   2H5*    C  30          2H5*        C  30   4.970 -19.910  -9.671
  312    H4*    C  30           H4*        C  30   6.530 -19.118  -7.931
  313    H3*    C  30           H3*        C  30   4.675 -21.366  -7.038
  314    H2*    C  30           H2*        C  30   6.043 -21.380  -5.030
  315   2HO*    C  30          2HO*        C  30   7.987 -20.798  -6.321
  316    H1*    C  30           H1*        C  30   5.877 -18.720  -4.642
  317   1H4     C  30          1H4         C  30   0.746 -21.087  -1.803
  318   2H4     C  30          2H4         C  30  -0.242 -20.646  -3.196
  319    H5     C  30           H5         C  30   0.747 -19.889  -5.308
  320    H6     C  30           H6         C  30   2.808 -19.313  -6.392
  321   1H5*    C  31          1H5*        C  31   8.571 -22.372  -5.948
  322   2H5*    C  31          2H5*        C  31   8.977 -23.997  -6.536
  323    H4*    C  31           H4*        C  31   9.480 -23.862  -4.149
  324    H3*    C  31           H3*        C  31   7.017 -25.513  -4.835
  325    H2*    C  31           H2*        C  31   7.022 -26.180  -2.511
  326   2HO*    C  31          2HO*        C  31   9.398 -26.232  -2.421
  327    H1*    C  31           H1*        C  31   7.341 -23.642  -1.583
  328   1H4     C  31          1H4         C  31   1.108 -24.574  -1.941
  329   2H4     C  31          2H4         C  31   1.070 -23.855  -3.546
  330    H5     C  31           H5         C  31   3.102 -23.270  -4.777
  331    H6     C  31           H6         C  31   5.491 -23.189  -4.669
  332    H3T    C  31           H3T        C  31   8.995 -26.302  -5.637
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -8.003 -21.293   6.034
    2   2H5*    G   1          2H5*        G   1  -7.263 -22.082   4.632
    3    H4*    G   1           H4*        G   1  -6.633 -22.781   7.538
    4    H3*    G   1           H3*        G   1  -5.324 -20.887   5.583
    5    H2*    G   1           H2*        G   1  -3.178 -21.523   6.535
    6   2HO*    G   1          2HO*        G   1  -4.009 -21.707   8.719
    7    H1*    G   1           H1*        G   1  -3.643 -24.167   6.362
    8    H8     G   1           H8         G   1  -5.648 -22.743   3.521
    9    H1     G   1           H1         G   1   0.670 -22.786   2.386
   10   1H2     G   1          1H2         G   1   1.763 -23.206   4.267
   11   2H2     G   1          2H2         G   1   0.918 -23.492   5.777
   12    H5T    G   1           H5T        G   1  -8.076 -24.082   5.494
   13   1H5*    G   2          1H5*        G   2  -3.433 -20.226   9.243
   14   2H5*    G   2          2H5*        G   2  -3.248 -18.498   9.582
   15    H4*    G   2           H4*        G   2  -1.091 -19.684   9.710
   16    H3*    G   2           H3*        G   2  -1.350 -17.695   7.439
   17    H2*    G   2           H2*        G   2   0.998 -18.173   6.978
   18   2HO*    G   2          2HO*        G   2   1.509 -18.360   9.277
   19    H1*    G   2           H1*        G   2   0.734 -20.852   7.109
   20    H8     G   2           H8         G   2  -2.559 -19.816   5.673
   21    H1     G   2           H1         G   2   2.291 -19.184   1.519
   22   1H2     G   2          1H2         G   2   4.223 -19.282   2.605
   23   2H2     G   2          2H2         G   2   4.292 -19.609   4.328
   24   1H5*    A   3          1H5*        A   3   2.346 -17.015   9.369
   25   2H5*    A   3          2H5*        A   3   2.631 -15.290   9.655
   26    H4*    A   3           H4*        A   3   4.524 -16.334   8.475
   27    H3*    A   3           H3*        A   3   2.964 -14.273   6.892
   28    H2*    A   3           H2*        A   3   4.629 -14.577   5.149
   29   2HO*    A   3          2HO*        A   3   6.360 -14.837   6.765
   30    H1*    A   3           H1*        A   3   4.567 -17.266   5.189
   31    H8     A   3           H8         A   3   1.025 -16.428   6.057
   32   1H6     A   3          1H6         A   3   0.146 -15.360   0.023
   33   2H6     A   3          2H6         A   3  -0.629 -15.567   1.586
   34    H2     A   3           H2         A   3   4.527 -15.685   0.740
   35   1H5*    U   4          1H5*        U   4   7.011 -13.371   6.407
   36   2H5*    U   4          2H5*        U   4   7.343 -11.635   6.543
   37    H4*    U   4           H4*        U   4   8.142 -12.542   4.396
   38    H3*    U   4           H3*        U   4   5.813 -10.604   4.141
   39    H2*    U   4           H2*        U   4   6.219 -10.775   1.750
   40   2HO*    U   4          2HO*        U   4   8.546 -10.881   2.011
   41    H1*    U   4           H1*        U   4   6.388 -13.476   1.745
   42    H3     U   4           H3         U   4   2.366 -12.180  -0.007
   43    H5     U   4           H5         U   4   1.714 -12.512   4.127
   44    H6     U   4           H6         U   4   4.085 -12.811   4.430
   45   1H5*    A   5          1H5*        A   5   8.980  -9.293   1.596
   46   2H5*    A   5          2H5*        A   5   9.166  -7.531   1.664
   47    H4*    A   5           H4*        A   5   8.934  -8.286  -0.650
   48    H3*    A   5           H3*        A   5   6.577  -6.681   0.377
   49    H2*    A   5           H2*        A   5   5.668  -6.817  -1.835
   50   2HO*    A   5          2HO*        A   5   7.706  -6.507  -2.910
   51    H1*    A   5           H1*        A   5   6.183  -9.468  -2.180
   52    H8     A   5           H8         A   5   5.352  -9.068   1.485
   53   1H6     A   5          1H6         A   5  -0.580  -9.406  -0.258
   54   2H6     A   5          2H6         A   5   0.528  -9.421   1.103
   55    H2     A   5           H2         A   5   1.887  -8.819  -3.908
   56   1H5*    U   6          1H5*        U   6   6.225  -2.382  -2.363
   57   2H5*    U   6          2H5*        U   6   5.190  -3.548  -1.520
   58    H4*    U   6           H4*        U   6   5.859  -3.545  -4.504
   59    H3*    U   6           H3*        U   6   3.412  -3.082  -2.801
   60    H2*    U   6           H2*        U   6   2.045  -3.841  -4.667
   61   2HO*    U   6          2HO*        U   6   3.667  -3.221  -6.377
   62    H1*    U   6           H1*        U   6   3.362  -6.154  -4.684
   63    H3     U   6           H3         U   6  -0.401  -6.060  -1.904
   64    H5     U   6           H5         U   6   2.996  -5.760   0.554
   65    H6     U   6           H6         U   6   4.335  -5.432  -1.409
   66   1H5*    A   7          1H5*        A   7   1.621   0.154  -6.377
   67   2H5*    A   7          2H5*        A   7   1.514  -0.785  -4.884
   68    H4*    A   7           H4*        A   7   0.452  -1.720  -7.581
   69    H3*    A   7           H3*        A   7  -0.685   0.017  -5.483
   70    H2*    A   7           H2*        A   7  -2.552  -1.297  -4.945
   71   2HO*    A   7          2HO*        A   7  -3.148  -1.498  -7.203
   72    H1*    A   7           H1*        A   7  -1.577  -3.807  -5.350
   73    H8     A   7           H8         A   7   1.273  -2.277  -3.551
   74   1H6     A   7          1H6         A   7  -2.137  -2.902   1.622
   75   2H6     A   7          2H6         A   7  -0.511  -2.603   1.013
   76    H2     A   7           H2         A   7  -4.787  -3.496  -1.850
   77   1H5*    U   8          1H5*        U   8  -4.494   2.429  -6.053
   78   2H5*    U   8          2H5*        U   8  -3.376   1.705  -4.888
   79    H4*    U   8           H4*        U   8  -6.122   0.596  -5.656
   80    H3*    U   8           H3*        U   8  -4.956   2.074  -3.302
   81    H2*    U   8           H2*        U   8  -6.604   1.011  -1.868
   82   2HO*    U   8          2HO*        U   8  -8.017   0.581  -4.060
   83    H1*    U   8           H1*        U   8  -5.792  -1.387  -2.673
   84    H3     U   8           H3         U   8  -3.499   0.061   1.124
   85    H5     U   8           H5         U   8  -0.975   0.675  -2.177
   86    H6     U   8           H6         U   8  -2.845   0.219  -3.625
   87   1H5*    G   9          1H5*        G   9  -9.345   4.662  -2.866
   88   2H5*    G   9          2H5*        G   9  -7.757   4.109  -2.312
   89    H4*    G   9           H4*        G   9 -10.458   3.365  -1.103
   90    H3*    G   9           H3*        G   9  -8.180   5.204  -0.398
   91    H2*    G   9           H2*        G   9  -8.392   4.652   1.941
   92   2HO*    G   9          2HO*        G   9 -10.772   4.544   1.747
   93    H1*    G   9           H1*        G   9  -8.450   1.984   1.578
   94    H8     G   9           H8         G   9  -6.433   2.920  -1.386
   95    H1     G   9           H1         G   9  -3.151   3.746   4.058
   96   1H2     G   9          1H2         G   9  -4.543   3.804   5.780
   97   2H2     G   9          2H2         G   9  -6.262   3.510   5.583
   98   1H5*    A  10          1H5*        A  10 -10.743   6.393   2.759
   99   2H5*    A  10          2H5*        A  10 -10.858   8.164   2.657
  100    H4*    A  10           H4*        A  10 -10.034   7.501   4.870
  101    H3*    A  10           H3*        A  10  -7.876   8.712   3.131
  102    H2*    A  10           H2*        A  10  -6.620   8.866   5.242
  103   2HO*    A  10          2HO*        A  10  -8.751   8.866   6.575
  104    H1*    A  10           H1*        A  10  -6.921   6.236   5.572
  105    H8     A  10           H8         A  10  -7.254   6.346   1.877
  106   1H6     A  10          1H6         A  10  -1.098   6.919   1.606
  107   2H6     A  10          2H6         A  10  -2.557   6.548   0.705
  108    H2     A  10           H2         A  10  -2.372   7.783   5.776
  109   1H5*    U  11          1H5*        U  11  -7.558  10.073   7.614
  110   2H5*    U  11          2H5*        U  11  -7.932  11.789   7.842
  111    H4*    U  11           H4*        U  11  -5.613  11.356   8.406
  112    H3*    U  11           H3*        U  11  -5.917  12.936   5.826
  113    H2*    U  11           H2*        U  11  -3.552  13.174   5.890
  114   2HO*    U  11          2HO*        U  11  -3.474  13.645   8.155
  115    H1*    U  11           H1*        U  11  -3.030  10.615   6.824
  116    H3     U  11           H3         U  11  -1.228  10.837   2.659
  117    H5     U  11           H5         U  11  -5.319  10.127   2.011
  118    H6     U  11           H6         U  11  -5.700  10.441   4.380
  119   1H5*    A  12          1H5*        A  12  -3.757  17.261   6.567
  120   2H5*    A  12          2H5*        A  12  -3.602  15.852   5.502
  121    H4*    A  12           H4*        A  12  -1.662  16.544   7.754
  122    H3*    A  12           H3*        A  12  -1.771  17.233   4.824
  123    H2*    A  12           H2*        A  12   0.645  16.951   4.703
  124   2HO*    A  12          2HO*        A  12   0.903  17.837   6.926
  125    H1*    A  12           H1*        A  12   0.702  14.617   5.959
  126    H8     A  12           H8         A  12  -2.670  14.431   4.348
  127   1H6     A  12          1H6         A  12   0.358  12.560  -0.755
  128   2H6     A  12          2H6         A  12  -1.225  12.693  -0.004
  129    H2     A  12           H2         A  12   3.327  14.194   2.086
  130   1H5*    C  13          1H5*        C  13   1.548  19.122   6.357
  131   2H5*    C  13          2H5*        C  13   1.456  20.878   6.057
  132    H4*    C  13           H4*        C  13   3.642  20.037   5.337
  133    H3*    C  13           H3*        C  13   1.739  20.910   3.177
  134    H2*    C  13           H2*        C  13   3.477  20.434   1.577
  135   2HO*    C  13          2HO*        C  13   5.123  21.422   2.891
  136    H1*    C  13           H1*        C  13   4.409  18.137   2.779
  137   1H4     C  13          1H4         C  13   0.522  16.241  -1.840
  138   2H4     C  13          2H4         C  13  -0.844  16.218  -0.744
  139    H5     C  13           H5         C  13  -0.645  17.012   1.611
  140    H6     C  13           H6         C  13   0.834  18.037   3.185
  141   1H5*    A  14          1H5*        A  14   3.129  24.651   0.550
  142   2H5*    A  14          2H5*        A  14   2.162  23.166   0.611
  143    H4*    A  14           H4*        A  14   4.961  23.435  -0.591
  144    H3*    A  14           H3*        A  14   2.154  23.057  -1.605
  145    H2*    A  14           H2*        A  14   3.017  21.815  -3.494
  146   2HO*    A  14          2HO*        A  14   5.268  22.930  -3.316
  147    H1*    A  14           H1*        A  14   4.144  20.069  -1.825
  148    H8     A  14           H8         A  14   1.771  21.108   0.720
  149   1H6     A  14          1H6         A  14  -2.773  18.475  -2.580
  150   2H6     A  14          2H6         A  14  -2.344  19.161  -1.020
  151    H2     A  14           H2         A  14   0.759  18.895  -5.219
  152   1H5*    A  15          1H5*        A  15   4.378  25.052  -6.518
  153   2H5*    A  15          2H5*        A  15   2.878  25.842  -6.009
  154    H4*    A  15           H4*        A  15   2.505  24.718  -8.099
  155    H3*    A  15           H3*        A  15   0.795  24.378  -5.994
  156    H2*    A  15           H2*        A  15   1.915  22.356  -5.257
  157   2HO*    A  15          2HO*        A  15  -0.500  22.078  -6.033
  158    H1*    A  15           H1*        A  15   1.840  21.565  -8.171
  159    H8     A  15           H8         A  15   4.108  21.425  -5.102
  160   1H6     A  15          1H6         A  15   5.194  15.530  -6.666
  161   2H6     A  15          2H6         A  15   5.544  16.786  -5.485
  162    H2     A  15           H2         A  15   2.459  17.300  -9.672
  163   1H5*    U  16          1H5*        U  16  -3.219  21.789  -9.070
  164   2H5*    U  16          2H5*        U  16  -2.736  20.984  -7.561
  165    H4*    U  16           H4*        U  16  -3.179  19.307  -9.261
  166    H3*    U  16           H3*        U  16  -0.370  19.781  -8.402
  167    H2*    U  16           H2*        U  16   0.630  18.391  -9.995
  168   2HO*    U  16          2HO*        U  16  -1.028  16.671  -9.851
  169    H1*    U  16           H1*        U  16  -0.943  19.078 -12.089
  170    H3     U  16           H3         U  16   1.120  22.746 -13.657
  171    H5     U  16           H5         U  16   2.822  22.155  -9.876
  172    H6     U  16           H6         U  16   1.137  20.491  -9.415
  173   1H5*    U  17          1H5*        U  17  -2.018  13.820  -8.256
  174   2H5*    U  17          2H5*        U  17  -1.353  14.585  -6.824
  175    H4*    U  17           H4*        U  17   0.346  13.946  -9.263
  176    H3*    U  17           H3*        U  17  -0.760  12.033  -7.463
  177    H2*    U  17           H2*        U  17   0.855  11.741  -5.795
  178   2HO*    U  17          2HO*        U  17   2.427  11.001  -7.220
  179    H1*    U  17           H1*        U  17   2.301  14.035  -5.806
  180    H3     U  17           H3         U  17  -0.600  16.995  -3.690
  181    H5     U  17           H5         U  17  -2.501  13.251  -3.714
  182    H6     U  17           H6         U  17  -0.787  12.438  -5.167
  183   1H5*    U  18          1H5*        U  18   3.529  10.160  -8.203
  184   2H5*    U  18          2H5*        U  18   3.201  11.356  -9.442
  185    H4*    U  18           H4*        U  18   4.596   8.679  -9.904
  186    H3*    U  18           H3*        U  18   5.528  11.200  -8.833
  187    H2*    U  18           H2*        U  18   6.715  12.140 -10.631
  188   2HO*    U  18          2HO*        U  18   8.040  10.292 -10.904
  189    H1*    U  18           H1*        U  18   5.379  11.233 -12.788
  190    H3     U  18           H3         U  18   1.670  13.951 -12.828
  191    H5     U  18           H5         U  18   3.552  14.695  -9.151
  192    H6     U  18           H6         U  18   5.094  12.942  -9.625
  193   1H5*    G  19          1H5*        G  19   7.978   9.272  -5.736
  194   2H5*    G  19          2H5*        G  19   6.284   9.709  -6.041
  195    H4*    G  19           H4*        G  19   8.314  11.493  -4.617
  196    H3*    G  19           H3*        G  19   6.227   9.599  -3.487
  197    H2*    G  19           H2*        G  19   6.206  11.093  -1.577
  198   2HO*    G  19          2HO*        G  19   8.558  11.406  -1.716
  199    H1*    G  19           H1*        G  19   6.205  13.365  -3.127
  200    H8     G  19           H8         G  19   3.974  13.677  -1.763
  201    H1     G  19           H1         G  19   1.201   8.801  -4.875
  202   1H2     G  19          1H2         G  19   2.726   7.737  -6.113
  203   2H2     G  19          2H2         G  19   4.415   8.213  -6.086
  204   1H5*    A  20          1H5*        A  20   8.958  10.271  -0.305
  205   2H5*    A  20          2H5*        A  20   9.197   8.743   0.565
  206    H4*    A  20           H4*        A  20   8.496  10.544   2.079
  207    H3*    A  20           H3*        A  20   6.421   8.354   1.711
  208    H2*    A  20           H2*        A  20   5.249   9.486   3.522
  209   2HO*    A  20          2HO*        A  20   7.193  10.044   4.683
  210    H1*    A  20           H1*        A  20   5.472  11.931   2.409
  211    H8     A  20           H8         A  20   5.279   9.712  -0.598
  212   1H6     A  20          1H6         A  20  -0.837   9.434   0.468
  213   2H6     A  20          2H6         A  20   0.422   9.107  -0.710
  214    H2     A  20           H2         A  20   1.113  11.045   4.094
  215   1H5*    U  21          1H5*        U  21   7.179   8.847   5.939
  216   2H5*    U  21          2H5*        U  21   7.173   7.260   6.738
  217    H4*    U  21           H4*        U  21   5.538   8.895   7.720
  218    H3*    U  21           H3*        U  21   4.434   6.330   6.516
  219    H2*    U  21           H2*        U  21   2.288   7.063   7.349
  220   2HO*    U  21          2HO*        U  21   3.283   7.961   9.311
  221    H1*    U  21           H1*        U  21   2.506   9.607   6.457
  222    H3     U  21           H3         U  21  -0.380   7.191   3.854
  223    H5     U  21           H5         U  21   3.382   6.772   2.040
  224    H6     U  21           H6         U  21   4.370   7.824   3.960
  225   1H5*    C  22          1H5*        C  22   2.531   6.726  10.240
  226   2H5*    C  22          2H5*        C  22   2.552   5.162  11.077
  227    H4*    C  22           H4*        C  22   0.267   6.042  10.831
  228    H3*    C  22           H3*        C  22   0.846   3.485   9.298
  229    H2*    C  22           H2*        C  22  -1.501   3.466   8.795
  230   2HO*    C  22          2HO*        C  22  -2.207   4.105  10.873
  231    H1*    C  22           H1*        C  22  -1.707   6.130   8.244
  232   1H4     C  22          1H4         C  22  -0.802   3.259   2.676
  233   2H4     C  22          2H4         C  22   0.939   3.412   2.837
  234    H5     C  22           H5         C  22   2.000   4.312   4.875
  235    H6     C  22           H6         C  22   1.578   5.180   7.086
  236   1H5*    A  23          1H5*        A  23  -2.381   0.055  11.443
  237   2H5*    A  23          2H5*        A  23  -1.739   0.431   9.833
  238    H4*    A  23           H4*        A  23  -4.415   1.346  10.980
  239    H3*    A  23           H3*        A  23  -3.475  -0.635   8.926
  240    H2*    A  23           H2*        A  23  -5.395  -0.178   7.543
  241   2HO*    A  23          2HO*        A  23  -6.872   0.314   9.374
  242    H1*    A  23           H1*        A  23  -4.929   2.421   7.503
  243    H8     A  23           H8         A  23  -1.424   1.599   8.239
  244   1H6     A  23          1H6         A  23  -0.833  -0.082   2.309
  245   2H6     A  23          2H6         A  23   0.022   0.275   3.805
  246    H2     A  23           H2         A  23  -5.172   0.027   3.279
  247   1H5*    G  24          1H5*        G  24  -7.154  -1.097   7.309
  248   2H5*    G  24          2H5*        G  24  -8.167  -2.316   8.095
  249    H4*    G  24           H4*        G  24  -8.035  -2.927   5.812
  250    H3*    G  24           H3*        G  24  -7.269  -4.601   7.877
  251    H2*    G  24           H2*        G  24  -4.996  -4.540   7.641
  252   2HO*    G  24          2HO*        G  24  -6.039  -6.419   5.847
  253    H1*    G  24           H1*        G  24  -5.004  -4.281   4.661
  254    H8     G  24           H8         G  24  -4.204  -2.107   7.703
  255    H1     G  24           H1         G  24   0.852  -3.807   4.139
  256   1H2     G  24          1H2         G  24   0.167  -5.223   2.524
  257   2H2     G  24          2H2         G  24  -1.518  -5.640   2.355
  258   1H5*    U  25          1H5*        U  25  -9.482  -6.655   3.550
  259   2H5*    U  25          2H5*        U  25  -8.274  -5.418   3.152
  260    H4*    U  25           H4*        U  25 -11.234  -5.385   2.393
  261    H3*    U  25           H3*        U  25  -8.873  -6.562   1.160
  262    H2*    U  25           H2*        U  25  -8.601  -5.153  -0.738
  263   2HO*    U  25          2HO*        U  25 -10.992  -5.459  -1.106
  264    H1*    U  25           H1*        U  25  -9.415  -2.780   0.187
  265    H3     U  25           H3         U  25  -5.838  -1.272   2.575
  266    H5     U  25           H5         U  25  -4.843  -5.168   1.378
  267    H6     U  25           H6         U  25  -7.131  -5.490   0.698
  268   1H5*    A  26          1H5*        A  26 -10.929  -6.470  -2.623
  269   2H5*    A  26          2H5*        A  26 -10.835  -8.136  -3.222
  270    H4*    A  26           H4*        A  26  -9.787  -6.512  -4.773
  271    H3*    A  26           H3*        A  26  -7.943  -8.567  -3.521
  272    H2*    A  26           H2*        A  26  -6.217  -7.663  -4.962
  273   2HO*    A  26          2HO*        A  26  -7.761  -7.315  -6.741
  274    H1*    A  26           H1*        A  26  -6.731  -5.074  -4.389
  275    H8     A  26           H8         A  26  -7.592  -6.778  -1.178
  276   1H6     A  26          1H6         A  26  -1.505  -6.967  -0.022
  277   2H6     A  26          2H6         A  26  -3.109  -7.227   0.648
  278    H2     A  26           H2         A  26  -2.066  -5.867  -4.292
  279   1H5*    U  27          1H5*        U  27  -7.128  -8.555  -7.599
  280   2H5*    U  27          2H5*        U  27  -6.911 -10.189  -8.254
  281    H4*    U  27           H4*        U  27  -4.940  -8.762  -8.684
  282    H3*    U  27           H3*        U  27  -4.439 -11.038  -6.741
  283    H2*    U  27           H2*        U  27  -2.098 -10.364  -6.919
  284   2HO*    U  27          2HO*        U  27  -2.296  -9.855  -9.205
  285    H1*    U  27           H1*        U  27  -2.617  -7.720  -6.595
  286    H3     U  27           H3         U  27  -0.750  -9.419  -2.779
  287    H5     U  27           H5         U  27  -4.895  -9.961  -2.338
  288    H6     U  27           H6         U  27  -5.178  -9.331  -4.646
  289   1H5*    A  28          1H5*        A  28  -1.506 -11.160  -9.792
  290   2H5*    A  28          2H5*        A  28  -1.103 -12.821 -10.265
  291    H4*    A  28           H4*        A  28   0.904 -11.569  -9.602
  292    H3*    A  28           H3*        A  28   0.150 -13.822  -7.706
  293    H2*    A  28           H2*        A  28   2.246 -13.316  -6.592
  294   2HO*    A  28          2HO*        A  28   3.372 -12.855  -8.597
  295    H1*    A  28           H1*        A  28   1.835 -10.648  -6.514
  296    H8     A  28           H8         A  28  -1.626 -12.101  -6.206
  297   1H6     A  28          1H6         A  28  -0.331 -12.767  -0.177
  298   2H6     A  28          2H6         A  28  -1.607 -12.792  -1.384
  299    H2     A  28           H2         A  28   3.475 -11.993  -2.327
  300   1H5*    U  29          1H5*        U  29   4.190 -14.240  -8.751
  301   2H5*    U  29          2H5*        U  29   4.673 -15.932  -8.959
  302    H4*    U  29           H4*        U  29   6.056 -14.782  -7.269
  303    H3*    U  29           H3*        U  29   4.264 -16.959  -6.119
  304    H2*    U  29           H2*        U  29   5.534 -16.552  -4.070
  305   2HO*    U  29          2HO*        U  29   7.533 -16.136  -5.274
  306    H1*    U  29           H1*        U  29   5.234 -13.866  -4.191
  307    H3     U  29           H3         U  29   2.382 -15.557  -1.049
  308    H5     U  29           H5         U  29   0.241 -15.696  -4.660
  309    H6     U  29           H6         U  29   2.266 -15.114  -5.830
  310   1H5*    C  30          1H5*        C  30   8.162 -17.603  -4.779
  311   2H5*    C  30          2H5*        C  30   8.616 -19.318  -4.807
  312    H4*    C  30           H4*        C  30   8.938 -18.326  -2.572
  313    H3*    C  30           H3*        C  30   6.733 -20.420  -2.705
  314    H2*    C  30           H2*        C  30   6.686 -20.185  -0.284
  315   2HO*    C  30          2HO*        C  30   9.074 -19.817  -0.271
  316    H1*    C  30           H1*        C  30   6.617 -17.480  -0.335
  317   1H4     C  30          1H4         C  30   0.531 -19.180  -0.582
  318   2H4     C  30          2H4         C  30   0.538 -19.003  -2.328
  319    H5     C  30           H5         C  30   2.611 -18.661  -3.611
  320    H6     C  30           H6         C  30   4.987 -18.311  -3.426
  321   1H5*    C  31          1H5*        C  31   9.104 -21.288   0.561
  322   2H5*    C  31          2H5*        C  31   9.624 -22.984   0.523
  323    H4*    C  31           H4*        C  31   8.614 -22.546   2.691
  324    H3*    C  31           H3*        C  31   6.836 -24.162   0.827
  325    H2*    C  31           H2*        C  31   5.417 -24.488   2.755
  326   2HO*    C  31          2HO*        C  31   7.293 -24.662   4.214
  327    H1*    C  31           H1*        C  31   5.492 -21.861   3.500
  328   1H4     C  31          1H4         C  31   0.400 -22.427  -0.175
  329   2H4     C  31          2H4         C  31   1.349 -22.100  -1.616
  330    H5     C  31           H5         C  31   3.798 -21.887  -1.565
  331    H6     C  31           H6         C  31   5.740 -21.910  -0.134
  332    H3T    C  31           H3T        C  31   8.799 -25.153   1.407
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   7.694 -21.106   2.998
    2   2H5*    G   1          2H5*        G   1   6.739 -21.844   1.710
    3    H4*    G   1           H4*        G   1   9.792 -21.808   1.775
    4    H3*    G   1           H3*        G   1   7.760 -19.900   0.624
    5    H2*    G   1           H2*        G   1   9.179 -19.598  -1.315
    6   2HO*    G   1          2HO*        G   1  11.164 -19.699  -0.079
    7    H1*    G   1           H1*        G   1   9.560 -22.204  -1.754
    8    H8     G   1           H8         G   1   6.187 -22.323  -0.198
    9    H1     G   1           H1         G   1   6.108 -19.760  -6.081
   10   1H2     G   1          1H2         G   1   8.194 -19.270  -6.702
   11   2H2     G   1          2H2         G   1   9.558 -19.630  -5.662
   12    H5T    G   1           H5T        G   1   7.103 -23.261   3.491
   13   1H5*    G   2          1H5*        G   2  11.371 -18.051  -0.096
   14   2H5*    G   2          2H5*        G   2  11.340 -16.347   0.382
   15    H4*    G   2           H4*        G   2  12.031 -16.611  -1.965
   16    H3*    G   2           H3*        G   2   9.354 -15.253  -1.546
   17    H2*    G   2           H2*        G   2   9.383 -14.865  -3.955
   18   2HO*    G   2          2HO*        G   2  11.724 -14.515  -3.942
   19    H1*    G   2           H1*        G   2  10.038 -17.388  -4.594
   20    H8     G   2           H8         G   2   7.967 -17.943  -1.548
   21    H1     G   2           H1         G   2   4.511 -16.063  -6.624
   22   1H2     G   2          1H2         G   2   5.864 -15.248  -8.181
   23   2H2     G   2          2H2         G   2   7.607 -15.282  -7.981
   24   1H5*    A   3          1H5*        A   3  11.581 -12.934  -4.276
   25   2H5*    A   3          2H5*        A   3  11.506 -11.209  -3.892
   26    H4*    A   3           H4*        A   3  10.859 -11.646  -6.227
   27    H3*    A   3           H3*        A   3   8.646 -10.603  -4.428
   28    H2*    A   3           H2*        A   3   7.265 -10.553  -6.408
   29   2HO*    A   3          2HO*        A   3   9.117  -9.860  -7.741
   30    H1*    A   3           H1*        A   3   7.946 -13.002  -7.292
   31    H8     A   3           H8         A   3   8.016 -13.440  -3.577
   32   1H6     A   3          1H6         A   3   1.838 -13.986  -3.932
   33   2H6     A   3          2H6         A   3   3.249 -14.152  -2.891
   34    H2     A   3           H2         A   3   3.315 -12.446  -7.826
   35   1H5*    U   4          1H5*        U   4   8.551  -8.351  -7.955
   36   2H5*    U   4          2H5*        U   4   8.250  -6.634  -7.662
   37    H4*    U   4           H4*        U   4   6.553  -7.621  -9.158
   38    H3*    U   4           H3*        U   4   5.481  -6.784  -6.444
   39    H2*    U   4           H2*        U   4   3.297  -7.281  -7.418
   40   2HO*    U   4          2HO*        U   4   3.936  -6.464  -9.529
   41    H1*    U   4           H1*        U   4   4.070  -9.663  -8.461
   42    H3     U   4           H3         U   4   1.401 -10.339  -4.809
   43    H5     U   4           H5         U   4   5.300 -10.012  -3.285
   44    H6     U   4           H6         U   4   6.056  -9.312  -5.457
   45   1H5*    A   5          1H5*        A   5   2.950  -5.187  -9.351
   46   2H5*    A   5          2H5*        A   5   2.442  -3.540  -8.961
   47    H4*    A   5           H4*        A   5   0.511  -4.996  -9.346
   48    H3*    A   5           H3*        A   5   0.809  -4.022  -6.481
   49    H2*    A   5           H2*        A   5  -1.311  -5.089  -6.073
   50   2HO*    A   5          2HO*        A   5  -2.177  -4.433  -8.152
   51    H1*    A   5           H1*        A   5  -0.712  -7.394  -7.348
   52    H8     A   5           H8         A   5   2.553  -6.321  -5.839
   53   1H6     A   5          1H6         A   5   0.406  -8.843  -0.582
   54   2H6     A   5          2H6         A   5   1.832  -8.216  -1.406
   55    H2     A   5           H2         A   5  -2.992  -8.393  -3.388
   56   1H5*    U   6          1H5*        U   6  -3.304  -3.077  -7.542
   57   2H5*    U   6          2H5*        U   6  -3.624  -1.466  -6.868
   58    H4*    U   6           H4*        U   6  -5.209  -3.159  -6.021
   59    H3*    U   6           H3*        U   6  -3.332  -2.026  -3.908
   60    H2*    U   6           H2*        U   6  -4.776  -3.215  -2.358
   61   2HO*    U   6          2HO*        U   6  -6.724  -2.760  -3.534
   62    H1*    U   6           H1*        U   6  -4.754  -5.518  -3.779
   63    H3     U   6           H3         U   6  -2.095  -5.952  -0.107
   64    H5     U   6           H5         U   6   0.387  -4.208  -3.009
   65    H6     U   6           H6         U   6  -1.530  -3.976  -4.452
   66   1H5*    A   7          1H5*        A   7  -7.486  -1.460  -2.547
   67   2H5*    A   7          2H5*        A   7  -7.549   0.123  -1.734
   68    H4*    A   7           H4*        A   7  -8.381  -1.663  -0.251
   69    H3*    A   7           H3*        A   7  -5.662  -0.604   0.567
   70    H2*    A   7           H2*        A   7  -6.083  -1.784   2.654
   71   2HO*    A   7          2HO*        A   7  -8.470  -1.605   2.589
   72    H1*    A   7           H1*        A   7  -6.512  -4.027   1.293
   73    H8     A   7           H8         A   7  -4.172  -2.064  -0.935
   74   1H6     A   7          1H6         A   7   0.336  -4.024   2.884
   75   2H6     A   7          2H6         A   7  -0.018  -3.283   1.335
   76    H2     A   7           H2         A   7  -3.607  -5.016   4.714
   77   1H5*    U   8          1H5*        U   8  -8.144   1.606   4.500
   78   2H5*    U   8          2H5*        U   8  -6.715   0.962   3.696
   79    H4*    U   8           H4*        U   8  -8.232  -0.478   5.923
   80    H3*    U   8           H3*        U   8  -5.772   1.265   5.828
   81    H2*    U   8           H2*        U   8  -4.871   0.039   7.703
   82   2HO*    U   8          2HO*        U   8  -6.989  -0.503   8.695
   83    H1*    U   8           H1*        U   8  -5.252  -2.277   6.461
   84    H3     U   8           H3         U   8  -0.916  -0.684   5.937
   85    H5     U   8           H5         U   8  -3.016   0.297   2.438
   86    H6     U   8           H6         U   8  -5.076  -0.326   3.556
   87   1H5*    G   9          1H5*        G   9  -7.114   2.883  10.510
   88   2H5*    G   9          2H5*        G   9  -5.982   2.666   9.178
   89    H4*    G   9           H4*        G   9  -5.849   1.213  11.859
   90    H3*    G   9           H3*        G   9  -4.683   3.692  10.693
   91    H2*    G   9           H2*        G   9  -2.478   3.246  11.394
   92   2HO*    G   9          2HO*        G   9  -2.976   2.572  13.504
   93    H1*    G   9           H1*        G   9  -2.439   0.602  10.871
   94    H8     G   9           H8         G   9  -4.477   1.960   8.061
   95    H1     G   9           H1         G   9   1.849   2.855   7.370
   96   1H2     G   9          1H2         G   9   2.858   2.617   9.337
   97   2H2     G   9          2H2         G   9   1.950   2.149  10.770
   98   1H5*    A  10          1H5*        A  10  -4.380   7.224  11.380
   99   2H5*    A  10          2H5*        A  10  -3.936   5.557  11.015
  100    H4*    A  10           H4*        A  10  -2.491   6.756  13.321
  101    H3*    A  10           H3*        A  10  -2.378   7.950  10.556
  102    H2*    A  10           H2*        A  10   0.025   8.255  10.875
  103   2HO*    A  10          2HO*        A  10  -0.300   8.658  13.227
  104    H1*    A  10           H1*        A  10   0.463   5.728  11.589
  105    H8     A  10           H8         A  10  -2.531   5.070   9.606
  106   1H6     A  10          1H6         A  10   0.762   6.194   4.449
  107   2H6     A  10          2H6         A  10  -0.777   5.635   5.083
  108    H2     A  10           H2         A  10   3.211   7.381   7.956
  109   1H5*    U  11          1H5*        U  11   0.107  10.197  12.899
  110   2H5*    U  11          2H5*        U  11  -0.214  11.938  12.808
  111    H4*    U  11           H4*        U  11   2.164  11.401  12.267
  112    H3*    U  11           H3*        U  11   0.341  12.592  10.190
  113    H2*    U  11           H2*        U  11   2.155  12.642   8.631
  114   2HO*    U  11          2HO*        U  11   3.700  13.411  10.150
  115    H1*    U  11           H1*        U  11   3.229  10.216   9.278
  116    H3     U  11           H3         U  11   1.405  10.040   5.084
  117    H5     U  11           H5         U  11  -1.729   9.075   7.700
  118    H6     U  11           H6         U  11  -0.301   9.682   9.525
  119   1H5*    A  12          1H5*        A  12   2.220  16.860   8.655
  120   2H5*    A  12          2H5*        A  12   1.585  15.374   7.936
  121    H4*    A  12           H4*        A  12   4.534  16.170   8.008
  122    H3*    A  12           H3*        A  12   2.282  16.532   6.047
  123    H2*    A  12           H2*        A  12   3.803  16.109   4.203
  124   2HO*    A  12          2HO*        A  12   5.598  17.195   5.399
  125    H1*    A  12           H1*        A  12   4.806  13.899   5.213
  126    H8     A  12           H8         A  12   1.487  13.651   6.841
  127   1H6     A  12          1H6         A  12  -0.646  11.726   1.338
  128   2H6     A  12          2H6         A  12  -1.022  11.852   3.056
  129    H2     A  12           H2         A  12   3.387  13.409   0.723
  130   1H5*    C  13          1H5*        C  13   5.349  18.281   4.050
  131   2H5*    C  13          2H5*        C  13   4.985  19.997   3.722
  132    H4*    C  13           H4*        C  13   5.630  18.894   1.641
  133    H3*    C  13           H3*        C  13   2.727  19.651   1.881
  134    H2*    C  13           H2*        C  13   2.405  18.795  -0.342
  135   2HO*    C  13          2HO*        C  13   4.319  19.745  -1.181
  136    H1*    C  13           H1*        C  13   4.028  16.611  -0.110
  137   1H4     C  13          1H4         C  13  -1.815  14.473   0.846
  138   2H4     C  13          2H4         C  13  -1.672  14.737   2.571
  139    H5     C  13           H5         C  13   0.329  15.796   3.574
  140    H6     C  13           H6         C  13   2.382  16.906   3.065
  141   1H5*    A  14          1H5*        A  14   1.020  22.670  -1.397
  142   2H5*    A  14          2H5*        A  14   0.602  21.451  -0.190
  143    H4*    A  14           H4*        A  14   1.006  20.974  -3.174
  144    H3*    A  14           H3*        A  14  -1.260  21.034  -1.198
  145    H2*    A  14           H2*        A  14  -2.452  19.303  -2.365
  146   2HO*    A  14          2HO*        A  14  -1.653  19.766  -4.552
  147    H1*    A  14           H1*        A  14  -0.405  17.688  -2.247
  148    H8     A  14           H8         A  14   0.733  19.612   0.649
  149   1H6     A  14          1H6         A  14  -3.796  16.940   3.923
  150   2H6     A  14          2H6         A  14  -2.329  17.908   4.010
  151    H2     A  14           H2         A  14  -4.574  16.142  -0.362
  152   1H5*    A  15          1H5*        A  15  -4.198  21.997  -5.580
  153   2H5*    A  15          2H5*        A  15  -4.024  21.665  -3.850
  154    H4*    A  15           H4*        A  15  -4.403  19.451  -5.921
  155    H3*    A  15           H3*        A  15  -6.328  21.302  -5.620
  156    H2*    A  15           H2*        A  15  -5.894  21.444  -3.262
  157   2HO*    A  15          2HO*        A  15  -8.293  20.091  -3.819
  158    H1*    A  15           H1*        A  15  -6.430  18.452  -3.162
  159    H8     A  15           H8         A  15  -3.823  20.909  -1.829
  160   1H6     A  15          1H6         A  15  -5.846  19.345   3.825
  161   2H6     A  15          2H6         A  15  -4.740  20.386   2.935
  162    H2     A  15           H2         A  15  -8.028  16.930   0.833
  163   1H5*    U  16          1H5*        U  16  -8.302  16.886  -4.201
  164   2H5*    U  16          2H5*        U  16  -9.779  17.000  -5.178
  165    H4*    U  16           H4*        U  16 -10.474  16.056  -3.129
  166    H3*    U  16           H3*        U  16 -11.048  19.014  -3.407
  167    H2*    U  16           H2*        U  16 -11.934  19.205  -1.407
  168   2HO*    U  16          2HO*        U  16 -12.817  16.534  -1.733
  169    H1*    U  16           H1*        U  16 -10.672  16.912  -0.210
  170    H3     U  16           H3         U  16  -9.940  20.367   2.719
  171    H5     U  16           H5         U  16  -8.195  21.648  -0.902
  172    H6     U  16           H6         U  16  -8.915  19.613  -1.877
  173   1H5*    U  17          1H5*        U  17 -11.638  16.339  -6.738
  174   2H5*    U  17          2H5*        U  17 -12.949  15.156  -6.741
  175    H4*    U  17           H4*        U  17 -11.074  13.399  -6.314
  176    H3*    U  17           H3*        U  17  -9.460  15.704  -6.475
  177    H2*    U  17           H2*        U  17  -8.868  15.949  -8.668
  178   2HO*    U  17          2HO*        U  17  -7.461  14.185  -8.350
  179    H1*    U  17           H1*        U  17 -10.318  14.064 -10.086
  180    H3     U  17           H3         U  17 -13.725  16.774 -11.532
  181    H5     U  17           H5         U  17 -11.642  19.061  -8.689
  182    H6     U  17           H6         U  17 -10.335  17.164  -8.172
  183   1H5*    U  18          1H5*        U  18  -5.305  12.778  -7.575
  184   2H5*    U  18          2H5*        U  18  -6.910  12.145  -7.957
  185    H4*    U  18           H4*        U  18  -5.084  10.595  -6.118
  186    H3*    U  18           H3*        U  18  -4.478  11.313  -8.835
  187    H2*    U  18           H2*        U  18  -5.056   9.413 -10.070
  188   2HO*    U  18          2HO*        U  18  -3.640   8.112  -8.645
  189    H1*    U  18           H1*        U  18  -7.028   8.272  -8.590
  190    H3     U  18           H3         U  18 -10.678  10.495 -10.124
  191    H5     U  18           H5         U  18  -7.420  12.684 -11.590
  192    H6     U  18           H6         U  18  -5.981  11.388 -10.210
  193   1H5*    G  19          1H5*        G  19   0.390   9.248  -7.178
  194   2H5*    G  19          2H5*        G  19  -0.959   9.645  -6.091
  195    H4*    G  19           H4*        G  19   1.244  11.636  -6.745
  196    H3*    G  19           H3*        G  19   1.127   9.573  -4.522
  197    H2*    G  19           H2*        G  19   2.392  11.177  -3.227
  198   2HO*    G  19          2HO*        G  19   3.679  11.776  -5.121
  199    H1*    G  19           H1*        G  19   0.892  13.326  -4.040
  200    H8     G  19           H8         G  19   0.543  13.476  -1.454
  201    H1     G  19           H1         G  19  -2.839   8.026  -1.380
  202   1H2     G  19          1H2         G  19  -2.810   7.090  -3.416
  203   2H2     G  19          2H2         G  19  -1.935   7.835  -4.732
  204   1H5*    A  20          1H5*        A  20   5.263  10.787  -4.616
  205   2H5*    A  20          2H5*        A  20   6.230   9.307  -4.438
  206    H4*    A  20           H4*        A  20   6.848  10.974  -2.754
  207    H3*    A  20           H3*        A  20   5.469   8.506  -1.607
  208    H2*    A  20           H2*        A  20   6.068   9.441   0.534
  209   2HO*    A  20          2HO*        A  20   8.131  10.275  -0.263
  210    H1*    A  20           H1*        A  20   5.134  11.904  -0.030
  211    H8     A  20           H8         A  20   2.828   9.731  -2.025
  212   1H6     A  20          1H6         A  20  -0.169   8.753   3.339
  213   2H6     A  20          2H6         A  20  -0.266   8.579   1.590
  214    H2     A  20           H2         A  20   3.761  10.565   4.260
  215   1H5*    U  21          1H5*        U  21   9.095   9.059   0.541
  216   2H5*    U  21          2H5*        U  21   9.872   7.478   0.750
  217    H4*    U  21           H4*        U  21   9.526   8.574   2.923
  218    H3*    U  21           H3*        U  21   7.645   6.219   2.502
  219    H2*    U  21           H2*        U  21   7.296   6.383   4.880
  220   2HO*    U  21          2HO*        U  21   9.449   7.215   5.444
  221    H1*    U  21           H1*        U  21   6.743   8.999   4.645
  222    H3     U  21           H3         U  21   2.880   6.645   5.050
  223    H5     U  21           H5         U  21   3.686   6.686   0.922
  224    H6     U  21           H6         U  21   5.833   7.673   1.387
  225   1H5*    C  22          1H5*        C  22  10.447   3.533   5.425
  226   2H5*    C  22          2H5*        C  22   8.916   4.093   4.765
  227    H4*    C  22           H4*        C  22   9.703   4.349   7.697
  228    H3*    C  22           H3*        C  22   8.172   2.226   6.174
  229    H2*    C  22           H2*        C  22   6.763   1.990   8.134
  230   2HO*    C  22          2HO*        C  22   8.592   2.318   9.594
  231    H1*    C  22           H1*        C  22   6.389   4.634   8.497
  232   1H4     C  22          1H4         C  22   1.660   2.875   4.679
  233   2H4     C  22          2H4         C  22   2.595   3.352   3.272
  234    H5     C  22           H5         C  22   4.960   4.015   3.413
  235    H6     C  22           H6         C  22   6.810   4.437   4.921
  236   1H5*    A  23          1H5*        A  23   8.808   0.812  10.137
  237   2H5*    A  23          2H5*        A  23   9.172  -0.923  10.143
  238    H4*    A  23           H4*        A  23   7.208  -0.366  11.556
  239    H3*    A  23           H3*        A  23   6.691  -2.064   9.102
  240    H2*    A  23           H2*        A  23   4.416  -2.281   9.961
  241   2HO*    A  23          2HO*        A  23   5.095  -2.386  12.185
  242    H1*    A  23           H1*        A  23   4.095   0.337  10.458
  243    H8     A  23           H8         A  23   6.313   0.212   7.428
  244   1H6     A  23          1H6         A  23   1.092  -0.621   4.176
  245   2H6     A  23          2H6         A  23   2.828  -0.339   4.074
  246    H2     A  23           H2         A  23   0.124  -1.065   8.477
  247   1H5*    G  24          1H5*        G  24   4.928  -3.752  12.771
  248   2H5*    G  24          2H5*        G  24   5.075  -5.516  12.729
  249    H4*    G  24           H4*        G  24   2.710  -4.738  13.057
  250    H3*    G  24           H3*        G  24   3.463  -6.334  10.610
  251    H2*    G  24           H2*        G  24   1.146  -6.331   9.970
  252   2HO*    G  24          2HO*        G  24   0.336  -6.699  12.094
  253    H1*    G  24           H1*        G  24   0.676  -3.716  10.591
  254    H8     G  24           H8         G  24   4.104  -3.988   9.019
  255    H1     G  24           H1         G  24  -0.766  -4.015   4.859
  256   1H2     G  24          1H2         G  24  -2.686  -4.153   5.978
  257   2H2     G  24          2H2         G  24  -2.715  -4.233   7.725
  258   1H5*    U  25          1H5*        U  25   0.469 -10.557  10.917
  259   2H5*    U  25          2H5*        U  25   1.130  -9.564   9.613
  260    H4*    U  25           H4*        U  25  -1.661  -9.320  10.828
  261    H3*    U  25           H3*        U  25  -0.501 -10.462   8.287
  262    H2*    U  25           H2*        U  25  -2.443  -9.737   7.085
  263   2HO*    U  25          2HO*        U  25  -3.965 -10.275   8.716
  264    H1*    U  25           H1*        U  25  -2.545  -7.264   8.157
  265    H3     U  25           H3         U  25  -0.812  -6.803   3.956
  266    H5     U  25           H5         U  25   2.473  -7.815   6.349
  267    H6     U  25           H6         U  25   0.957  -8.146   8.204
  268   1H5*    A  26          1H5*        A  26  -4.554 -13.578   6.729
  269   2H5*    A  26          2H5*        A  26  -3.400 -12.499   5.941
  270    H4*    A  26           H4*        A  26  -6.243 -11.808   6.792
  271    H3*    A  26           H3*        A  26  -4.789 -12.384   4.223
  272    H2*    A  26           H2*        A  26  -5.948 -10.632   3.067
  273   2HO*    A  26          2HO*        A  26  -7.971 -11.147   4.220
  274    H1*    A  26           H1*        A  26  -5.662  -8.759   4.954
  275    H8     A  26           H8         A  26  -2.561 -10.838   5.332
  276   1H6     A  26          1H6         A  26  -0.201  -7.316   0.792
  277   2H6     A  26          2H6         A  26   0.172  -8.542   2.003
  278    H2     A  26           H2         A  26  -4.552  -6.546   1.014
  279   1H5*    U  27          1H5*        U  27  -8.526 -12.013   2.741
  280   2H5*    U  27          2H5*        U  27  -8.922 -13.350   1.641
  281    H4*    U  27           H4*        U  27  -9.055 -11.237   0.437
  282    H3*    U  27           H3*        U  27  -6.618 -12.881  -0.354
  283    H2*    U  27           H2*        U  27  -6.354 -11.227  -2.105
  284   2HO*    U  27          2HO*        U  27  -8.660 -11.006  -2.448
  285    H1*    U  27           H1*        U  27  -6.653  -9.121  -0.451
  286    H3     U  27           H3         U  27  -2.211  -9.557  -1.387
  287    H5     U  27           H5         U  27  -2.891 -12.260   1.745
  288    H6     U  27           H6         U  27  -5.254 -11.797   1.558
  289   1H5*    A  28          1H5*        A  28  -8.928 -12.160  -3.912
  290   2H5*    A  28          2H5*        A  28  -8.965 -13.621  -4.919
  291    H4*    A  28           H4*        A  28  -8.231 -11.707  -6.240
  292    H3*    A  28           H3*        A  28  -6.013 -13.725  -5.710
  293    H2*    A  28           H2*        A  28  -4.676 -12.351  -7.180
  294   2HO*    A  28          2HO*        A  28  -6.536 -11.879  -8.578
  295    H1*    A  28           H1*        A  28  -5.313 -10.023  -5.996
  296    H8     A  28           H8         A  28  -5.418 -12.511  -3.166
  297   1H6     A  28          1H6         A  28   0.715 -11.714  -2.810
  298   2H6     A  28          2H6         A  28  -0.705 -12.360  -2.005
  299    H2     A  28           H2         A  28  -0.675  -9.961  -6.653
  300   1H5*    U  29          1H5*        U  29  -6.054 -12.855  -9.800
  301   2H5*    U  29          2H5*        U  29  -5.734 -14.272 -10.808
  302    H4*    U  29           H4*        U  29  -4.121 -12.458 -11.238
  303    H3*    U  29           H3*        U  29  -2.877 -14.923  -9.945
  304    H2*    U  29           H2*        U  29  -0.779 -13.778 -10.378
  305   2HO*    U  29          2HO*        U  29  -1.461 -12.872 -12.404
  306    H1*    U  29           H1*        U  29  -1.599 -11.419  -9.365
  307    H3     U  29           H3         U  29   1.197 -13.459  -6.388
  308    H5     U  29           H5         U  29  -2.623 -14.933  -5.475
  309    H6     U  29           H6         U  29  -3.471 -13.878  -7.466
  310   1H5*    C  30          1H5*        C  30  -0.719 -13.886 -13.371
  311   2H5*    C  30          2H5*        C  30  -0.178 -15.295 -14.296
  312    H4*    C  30           H4*        C  30   1.712 -13.838 -13.658
  313    H3*    C  30           H3*        C  30   1.709 -16.572 -12.304
  314    H2*    C  30           H2*        C  30   3.915 -15.909 -11.519
  315   2HO*    C  30          2HO*        C  30   4.296 -14.733 -13.589
  316    H1*    C  30           H1*        C  30   3.124 -13.463 -10.683
  317   1H4     C  30          1H4         C  30   2.283 -17.153  -5.645
  318   2H4     C  30          2H4         C  30   0.603 -17.425  -6.082
  319    H5     C  30           H5         C  30  -0.333 -16.683  -8.234
  320    H6     C  30           H6         C  30   0.147 -15.488 -10.266
  321   1H5*    C  31          1H5*        C  31   5.469 -15.908 -13.933
  322   2H5*    C  31          2H5*        C  31   6.011 -17.305 -14.880
  323    H4*    C  31           H4*        C  31   7.720 -16.750 -13.227
  324    H3*    C  31           H3*        C  31   6.129 -19.261 -12.568
  325    H2*    C  31           H2*        C  31   7.758 -19.617 -10.820
  326   2HO*    C  31          2HO*        C  31   9.534 -18.798 -12.178
  327    H1*    C  31           H1*        C  31   7.673 -17.023  -9.955
  328   1H4     C  31          1H4         C  31   3.473 -20.154  -6.451
  329   2H4     C  31          2H4         C  31   2.189 -19.823  -7.613
  330    H5     C  31           H5         C  31   2.623 -18.760  -9.783
  331    H6     C  31           H6         C  31   4.325 -17.791 -11.184
  332    H3T    C  31           H3T        C  31   7.351 -19.344 -14.492
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  -7.396 -24.807   7.517
    2   2H5*    G   1          2H5*        G   1  -7.335 -23.088   7.955
    3    H4*    G   1           H4*        G   1  -5.537 -24.233   9.099
    4    H3*    G   1           H3*        G   1  -4.612 -22.518   6.785
    5    H2*    G   1           H2*        G   1  -2.351 -23.006   7.516
    6   2HO*    G   1          2HO*        G   1  -2.866 -22.951   9.787
    7    H1*    G   1           H1*        G   1  -2.752 -25.655   7.720
    8    H8     G   1           H8         G   1  -5.075 -24.862   4.931
    9    H1     G   1           H1         G   1   1.084 -24.331   3.221
   10   1H2     G   1          1H2         G   1   2.364 -24.330   5.037
   11   2H2     G   1          2H2         G   1   1.674 -24.497   6.640
   12    H5T    G   1           H5T        G   1  -6.314 -22.663   5.980
   13   1H5*    G   2          1H5*        G   2  -2.346 -21.404  10.106
   14   2H5*    G   2          2H5*        G   2  -2.200 -19.645  10.241
   15    H4*    G   2           H4*        G   2   0.001 -20.740  10.262
   16    H3*    G   2           H3*        G   2  -0.557 -19.021   7.830
   17    H2*    G   2           H2*        G   2   1.765 -19.470   7.216
   18   2HO*    G   2          2HO*        G   2   2.468 -19.409   9.468
   19    H1*    G   2           H1*        G   2   1.605 -22.127   7.615
   20    H8     G   2           H8         G   2  -1.851 -21.373   6.439
   21    H1     G   2           H1         G   2   2.516 -20.870   1.764
   22   1H2     G   2          1H2         G   2   4.554 -20.832   2.641
   23   2H2     G   2          2H2         G   2   4.808 -21.015   4.370
   24   1H5*    A   3          1H5*        A   3   3.270 -18.026   9.302
   25   2H5*    A   3          2H5*        A   3   3.522 -16.277   9.368
   26    H4*    A   3           H4*        A   3   5.316 -17.397   8.110
   27    H3*    A   3           H3*        A   3   3.518 -15.584   6.479
   28    H2*    A   3           H2*        A   3   5.061 -16.023   4.639
   29   2HO*    A   3          2HO*        A   3   6.932 -16.061   6.086
   30    H1*    A   3           H1*        A   3   5.089 -18.686   4.979
   31    H8     A   3           H8         A   3   1.605 -17.877   6.044
   32   1H6     A   3          1H6         A   3   0.210 -17.602   0.011
   33   2H6     A   3          2H6         A   3  -0.431 -17.698   1.639
   34    H2     A   3           H2         A   3   4.636 -17.444   0.407
   35   1H5*    U   4          1H5*        U   4   7.505 -14.647   5.527
   36   2H5*    U   4          2H5*        U   4   7.790 -12.900   5.434
   37    H4*    U   4           H4*        U   4   8.439 -14.053   3.338
   38    H3*    U   4           H3*        U   4   6.075 -12.160   3.119
   39    H2*    U   4           H2*        U   4   6.211 -12.591   0.721
   40   2HO*    U   4          2HO*        U   4   8.565 -12.703   0.772
   41    H1*    U   4           H1*        U   4   6.367 -15.276   0.986
   42    H3     U   4           H3         U   4   2.186 -13.946  -0.372
   43    H5     U   4           H5         U   4   2.028 -14.051   3.821
   44    H6     U   4           H6         U   4   4.410 -14.357   3.849
   45   1H5*    A   5          1H5*        A   5   8.734 -11.261  -0.009
   46   2H5*    A   5          2H5*        A   5   8.917  -9.518  -0.250
   47    H4*    A   5           H4*        A   5   8.272 -10.652  -2.328
   48    H3*    A   5           H3*        A   5   6.143  -8.790  -1.215
   49    H2*    A   5           H2*        A   5   4.949  -9.248  -3.273
   50   2HO*    A   5          2HO*        A   5   6.896  -9.326  -4.574
   51    H1*    A   5           H1*        A   5   5.231 -11.917  -3.114
   52    H8     A   5           H8         A   5   5.113 -10.970   0.500
   53   1H6     A   5          1H6         A   5  -1.031 -10.536  -0.195
   54   2H6     A   5          2H6         A   5   0.278 -10.623   0.977
   55    H2     A   5           H2         A   5   0.796 -10.588  -4.222
   56   1H5*    U   6          1H5*        U   6   6.702  -7.874  -5.311
   57   2H5*    U   6          2H5*        U   6   6.707  -6.117  -5.551
   58    H4*    U   6           H4*        U   6   5.001  -7.285  -6.942
   59    H3*    U   6           H3*        U   6   3.978  -5.323  -4.854
   60    H2*    U   6           H2*        U   6   1.811  -5.693  -5.801
   61   2HO*    U   6          2HO*        U   6   2.483  -5.723  -7.981
   62    H1*    U   6           H1*        U   6   2.043  -8.404  -5.978
   63    H3     U   6           H3         U   6  -0.856  -7.270  -2.626
   64    H5     U   6           H5         U   6   2.934  -7.333  -0.823
   65    H6     U   6           H6         U   6   3.920  -7.586  -3.002
   66   1H5*    A   7          1H5*        A   7   1.436  -1.808  -7.464
   67   2H5*    A   7          2H5*        A   7   1.292  -2.690  -5.941
   68    H4*    A   7           H4*        A   7  -0.046  -3.485  -8.568
   69    H3*    A   7           H3*        A   7  -0.848  -1.792  -6.247
   70    H2*    A   7           H2*        A   7  -2.903  -2.918  -5.868
   71   2HO*    A   7          2HO*        A   7  -3.237  -3.051  -8.253
   72    H1*    A   7           H1*        A   7  -2.044  -5.448  -6.133
   73    H8     A   7           H8         A   7   1.074  -4.215  -4.625
   74   1H6     A   7          1H6         A   7  -2.066  -3.628   0.718
   75   2H6     A   7          2H6         A   7  -0.451  -3.667  -0.004
   76    H2     A   7           H2         A   7  -4.999  -4.170  -2.525
   77   1H5*    U   8          1H5*        U   8  -4.536  -1.700  -7.803
   78   2H5*    U   8          2H5*        U   8  -5.018  -0.011  -8.054
   79    H4*    U   8           H4*        U   8  -6.564  -1.164  -6.527
   80    H3*    U   8           H3*        U   8  -4.894   1.057  -5.331
   81    H2*    U   8           H2*        U   8  -6.165   0.711  -3.288
   82   2HO*    U   8          2HO*        U   8  -8.162   0.360  -4.421
   83    H1*    U   8           H1*        U   8  -5.991  -1.981  -3.292
   84    H3     U   8           H3         U   8  -3.131  -0.064  -0.196
   85    H5     U   8           H5         U   8  -0.889  -0.614  -3.703
   86    H6     U   8           H6         U   8  -2.919  -1.164  -4.855
   87   1H5*    G   9          1H5*        G   9  -9.057   1.860  -4.142
   88   2H5*    G   9          2H5*        G   9  -9.309   3.605  -4.335
   89    H4*    G   9           H4*        G   9  -9.866   2.830  -2.061
   90    H3*    G   9           H3*        G   9  -7.495   4.724  -2.243
   91    H2*    G   9           H2*        G   9  -7.548   4.712   0.182
   92   2HO*    G   9          2HO*        G   9  -9.912   4.605   0.233
   93    H1*    G   9           H1*        G   9  -7.656   2.035   0.397
   94    H8     G   9           H8         G   9  -5.661   2.491  -2.769
   95    H1     G   9           H1         G   9  -2.404   4.045   2.530
   96   1H2     G   9          1H2         G   9  -3.802   4.257   4.240
   97   2H2     G   9          2H2         G   9  -5.520   3.916   4.062
   98   1H5*    A  10          1H5*        A  10  -9.886   6.083   0.953
   99   2H5*    A  10          2H5*        A  10 -10.152   7.823   0.749
  100    H4*    A  10           H4*        A  10  -9.279   7.319   2.991
  101    H3*    A  10           H3*        A  10  -7.279   8.703   1.177
  102    H2*    A  10           H2*        A  10  -6.019   9.098   3.204
  103   2HO*    A  10          2HO*        A  10  -7.867   9.225   4.694
  104    H1*    A  10           H1*        A  10  -6.117   6.517   3.821
  105    H8     A  10           H8         A  10  -6.268   6.348   0.089
  106   1H6     A  10          1H6         A  10  -1.414   6.868  -0.753
  107   2H6     A  10          2H6         A  10  -0.146   7.491   0.200
  108    H2     A  10           H2         A  10  -1.725   8.245   4.216
  109   1H5*    U  11          1H5*        U  11  -8.061  12.811   3.964
  110   2H5*    U  11          2H5*        U  11  -7.163  11.712   2.917
  111    H4*    U  11           H4*        U  11  -6.561  12.159   5.876
  112    H3*    U  11           H3*        U  11  -5.428  13.314   3.320
  113    H2*    U  11           H2*        U  11  -3.283  13.430   4.467
  114   2HO*    U  11          2HO*        U  11  -4.108  13.971   6.551
  115    H1*    U  11           H1*        U  11  -3.402  10.900   5.376
  116    H3     U  11           H3         U  11  -0.598  11.146   1.746
  117    H5     U  11           H5         U  11  -4.428  10.467   0.149
  118    H6     U  11           H6         U  11  -5.348  10.770   2.369
  119   1H5*    A  12          1H5*        A  12  -4.198  15.570   6.809
  120   2H5*    A  12          2H5*        A  12  -4.154  17.302   6.421
  121    H4*    A  12           H4*        A  12  -2.008  16.582   7.382
  122    H3*    A  12           H3*        A  12  -1.852  17.097   4.406
  123    H2*    A  12           H2*        A  12   0.581  17.153   4.867
  124   2HO*    A  12          2HO*        A  12  -0.021  17.698   7.344
  125    H1*    A  12           H1*        A  12   0.412  14.750   5.907
  126    H8     A  12           H8         A  12  -2.486  14.935   3.506
  127   1H6     A  12          1H6         A  12   1.637  13.909  -1.022
  128   2H6     A  12          2H6         A  12  -0.081  13.967  -0.632
  129    H2     A  12           H2         A  12   3.853  14.675   2.730
  130   1H5*    C  13          1H5*        C  13   1.531  18.862   7.614
  131   2H5*    C  13          2H5*        C  13   1.383  20.638   7.781
  132    H4*    C  13           H4*        C  13   3.580  20.202   6.901
  133    H3*    C  13           H3*        C  13   1.722  20.858   4.606
  134    H2*    C  13           H2*        C  13   3.768  21.071   3.313
  135   2HO*    C  13          2HO*        C  13   5.143  21.867   5.077
  136    H1*    C  13           H1*        C  13   4.636  18.701   4.229
  137   1H4     C  13          1H4         C  13   1.417  17.093  -0.936
  138   2H4     C  13          2H4         C  13  -0.121  17.235  -0.101
  139    H5     C  13           H5         C  13  -0.297  18.062   2.199
  140    H6     C  13           H6         C  13   0.940  18.832   4.101
  141   1H5*    A  14          1H5*        A  14   4.207  25.395   4.235
  142   2H5*    A  14          2H5*        A  14   3.134  24.072   3.735
  143    H4*    A  14           H4*        A  14   6.019  24.470   2.825
  144    H3*    A  14           H3*        A  14   3.299  24.656   1.517
  145    H2*    A  14           H2*        A  14   4.359  24.091  -0.597
  146   2HO*    A  14          2HO*        A  14   6.474  25.064  -0.135
  147    H1*    A  14           H1*        A  14   5.459  21.939   0.475
  148    H8     A  14           H8         A  14   2.400  22.294   2.605
  149   1H6     A  14          1H6         A  14  -0.699  19.676  -2.085
  150   2H6     A  14          2H6         A  14  -0.791  20.143  -0.385
  151    H2     A  14           H2         A  14   3.356  20.648  -3.512
  152   1H5*    A  15          1H5*        A  15   5.913  28.294  -1.617
  153   2H5*    A  15          2H5*        A  15   4.458  27.378  -1.179
  154    H4*    A  15           H4*        A  15   6.645  26.299  -3.022
  155    H3*    A  15           H3*        A  15   5.135  28.312  -3.830
  156    H2*    A  15           H2*        A  15   3.162  27.492  -2.725
  157   2HO*    A  15          2HO*        A  15   3.024  27.834  -5.304
  158    H1*    A  15           H1*        A  15   3.639  24.950  -4.262
  159    H8     A  15           H8         A  15   2.998  25.748  -0.605
  160   1H6     A  15          1H6         A  15  -2.217  22.417  -1.348
  161   2H6     A  15          2H6         A  15  -1.284  23.352  -0.183
  162    H2     A  15           H2         A  15   0.025  22.494  -5.196
  163   1H5*    U  16          1H5*        U  16   2.516  26.357  -6.859
  164   2H5*    U  16          2H5*        U  16   3.482  25.076  -6.148
  165    H4*    U  16           H4*        U  16   2.361  25.209  -8.966
  166    H3*    U  16           H3*        U  16   1.326  24.411  -6.445
  167    H2*    U  16           H2*        U  16   1.758  22.161  -6.253
  168   2HO*    U  16          2HO*        U  16   0.182  21.898  -8.008
  169    H1*    U  16           H1*        U  16   3.384  21.558  -8.362
  170    H3     U  16           H3         U  16   7.228  20.979  -6.043
  171    H5     U  16           H5         U  16   4.731  23.195  -3.483
  172    H6     U  16           H6         U  16   3.168  23.367  -5.207
  173   1H5*    U  17          1H5*        U  17  -1.261  21.478  -9.009
  174   2H5*    U  17          2H5*        U  17  -2.863  21.791  -8.347
  175    H4*    U  17           H4*        U  17  -0.880  19.986  -6.919
  176    H3*    U  17           H3*        U  17  -2.032  19.410  -9.468
  177    H2*    U  17           H2*        U  17  -3.968  18.185  -8.983
  178   2HO*    U  17          2HO*        U  17  -2.725  16.528  -8.023
  179    H1*    U  17           H1*        U  17  -4.557  18.783  -6.394
  180    H3     U  17           H3         U  17  -7.256  22.418  -7.068
  181    H5     U  17           H5         U  17  -5.438  21.741 -10.786
  182    H6     U  17           H6         U  17  -4.037  20.093  -9.752
  183   1H5*    U  18          1H5*        U  18   0.096  14.281  -7.406
  184   2H5*    U  18          2H5*        U  18  -1.032  15.599  -7.077
  185    H4*    U  18           H4*        U  18   1.927  16.012  -6.719
  186    H3*    U  18           H3*        U  18   0.322  14.159  -5.159
  187    H2*    U  18           H2*        U  18   0.122  15.314  -3.137
  188   2HO*    U  18          2HO*        U  18   2.424  15.537  -2.930
  189    H1*    U  18           H1*        U  18   0.293  17.925  -3.897
  190    H3     U  18           H3         U  18  -4.121  18.621  -3.690
  191    H5     U  18           H5         U  18  -3.869  14.690  -5.154
  192    H6     U  18           H6         U  18  -1.501  14.910  -5.168
  193   1H5*    G  19          1H5*        G  19   4.208  12.347  -6.173
  194   2H5*    G  19          2H5*        G  19   4.057  11.008  -5.020
  195    H4*    G  19           H4*        G  19   6.256  10.852  -5.936
  196    H3*    G  19           H3*        G  19   5.921  11.024  -3.239
  197    H2*    G  19           H2*        G  19   6.324  13.450  -3.220
  198   2HO*    G  19          2HO*        G  19   7.788  12.409  -1.709
  199    H1*    G  19           H1*        G  19   8.617  12.599  -5.039
  200    H8     G  19           H8         G  19  10.214  14.624  -4.430
  201    H1     G  19           H1         G  19   5.675  18.810  -6.174
  202   1H2     G  19          1H2         G  19   3.698  17.733  -6.350
  203   2H2     G  19          2H2         G  19   3.594  16.018  -5.982
  204   1H5*    A  20          1H5*        A  20   9.391  10.978  -1.397
  205   2H5*    A  20          2H5*        A  20   9.538   9.329  -0.760
  206    H4*    A  20           H4*        A  20   9.303  10.829   1.130
  207    H3*    A  20           H3*        A  20   6.745   9.361   0.492
  208    H2*    A  20           H2*        A  20   5.913  10.157   2.629
  209   2HO*    A  20          2HO*        A  20   8.063  10.300   3.711
  210    H1*    A  20           H1*        A  20   6.449  12.680   1.934
  211    H8     A  20           H8         A  20   6.070  11.531  -1.455
  212   1H6     A  20          1H6         A  20  -0.003  10.758  -0.577
  213   2H6     A  20          2H6         A  20   1.287  10.893  -1.763
  214    H2     A  20           H2         A  20   1.914  11.306   3.404
  215   1H5*    U  21          1H5*        U  21   7.429   6.588   4.701
  216   2H5*    U  21          2H5*        U  21   6.510   7.221   3.338
  217    H4*    U  21           H4*        U  21   6.218   8.185   6.221
  218    H3*    U  21           H3*        U  21   4.664   6.291   4.457
  219    H2*    U  21           H2*        U  21   2.650   6.926   5.643
  220   2HO*    U  21          2HO*        U  21   3.654   7.420   7.726
  221    H1*    U  21           H1*        U  21   3.085   9.486   5.139
  222    H3     U  21           H3         U  21   0.310   7.483   1.944
  223    H5     U  21           H5         U  21   4.170   7.824   0.275
  224    H6     U  21           H6         U  21   5.023   8.408   2.442
  225   1H5*    C  22          1H5*        C  22   3.217   4.028   9.028
  226   2H5*    C  22          2H5*        C  22   3.137   4.252   7.276
  227    H4*    C  22           H4*        C  22   1.290   5.598   9.301
  228    H3*    C  22           H3*        C  22   1.065   3.132   7.580
  229    H2*    C  22           H2*        C  22  -1.259   3.662   7.148
  230   2HO*    C  22          2HO*        C  22  -1.569   4.455   9.359
  231    H1*    C  22           H1*        C  22  -0.870   6.256   6.594
  232   1H4     C  22          1H4         C  22  -0.079   3.202   1.090
  233   2H4     C  22          2H4         C  22   1.661   3.205   1.319
  234    H5     C  22           H5         C  22   2.708   4.053   3.376
  235    H6     C  22           H6         C  22   2.266   4.982   5.566
  236   1H5*    A  23          1H5*        A  23  -2.523   3.217   9.789
  237   2H5*    A  23          2H5*        A  23  -2.823   1.621  10.499
  238    H4*    A  23           H4*        A  23  -4.733   2.419   9.128
  239    H3*    A  23           H3*        A  23  -3.238  -0.051   8.239
  240    H2*    A  23           H2*        A  23  -4.877  -0.261   6.455
  241   2HO*    A  23          2HO*        A  23  -6.642   0.386   7.845
  242    H1*    A  23           H1*        A  23  -4.921   2.352   5.775
  243    H8     A  23           H8         A  23  -1.337   1.676   6.627
  244   1H6     A  23          1H6         A  23  -0.835  -0.480   0.819
  245   2H6     A  23          2H6         A  23   0.056  -0.076   2.280
  246    H2     A  23           H2         A  23  -5.133   0.091   1.715
  247   1H5*    G  24          1H5*        G  24  -7.591  -0.559   8.302
  248   2H5*    G  24          2H5*        G  24  -8.066  -2.186   8.780
  249    H4*    G  24           H4*        G  24  -8.835  -1.231   6.463
  250    H3*    G  24           H3*        G  24  -7.728  -3.997   6.906
  251    H2*    G  24           H2*        G  24  -8.224  -4.374   4.555
  252   2HO*    G  24          2HO*        G  24 -10.088  -3.085   4.367
  253    H1*    G  24           H1*        G  24  -6.799  -2.326   3.723
  254    H8     G  24           H8         G  24  -4.512  -2.189   6.130
  255    H1     G  24           H1         G  24  -4.600  -8.392   4.526
  256   1H2     G  24          1H2         G  24  -6.521  -8.885   3.486
  257   2H2     G  24          2H2         G  24  -7.757  -7.692   3.266
  258   1H5*    U  25          1H5*        U  25 -10.645  -6.914   4.420
  259   2H5*    U  25          2H5*        U  25  -9.165  -5.988   4.299
  260    H4*    U  25           H4*        U  25 -11.619  -5.618   2.522
  261    H3*    U  25           H3*        U  25  -9.028  -7.124   2.296
  262    H2*    U  25           H2*        U  25  -8.992  -6.663  -0.073
  263   2HO*    U  25          2HO*        U  25 -11.260  -6.970  -0.384
  264    H1*    U  25           H1*        U  25  -9.685  -4.064   0.178
  265    H3     U  25           H3         U  25  -5.668  -2.151   1.121
  266    H5     U  25           H5         U  25  -5.006  -6.275   1.483
  267    H6     U  25           H6         U  25  -7.382  -6.630   1.253
  268   1H5*    A  26          1H5*        A  26 -10.165 -10.718  -1.413
  269   2H5*    A  26          2H5*        A  26  -8.671  -9.918  -0.929
  270    H4*    A  26           H4*        A  26 -10.557  -9.089  -3.176
  271    H3*    A  26           H3*        A  26  -7.870 -10.357  -2.820
  272    H2*    A  26           H2*        A  26  -6.893  -9.162  -4.656
  273   2HO*    A  26          2HO*        A  26  -8.938  -9.306  -5.902
  274    H1*    A  26           H1*        A  26  -7.746  -6.756  -3.895
  275    H8     A  26           H8         A  26  -7.764  -8.214  -0.544
  276   1H6     A  26          1H6         A  26  -1.577  -7.772  -0.482
  277   2H6     A  26          2H6         A  26  -3.012  -8.061   0.486
  278    H2     A  26           H2         A  26  -2.952  -7.259  -4.671
  279   1H5*    U  27          1H5*        U  27  -8.012 -10.877  -6.818
  280   2H5*    U  27          2H5*        U  27  -7.805 -12.584  -7.266
  281    H4*    U  27           H4*        U  27  -6.067 -11.178  -8.299
  282    H3*    U  27           H3*        U  27  -5.108 -13.116  -6.175
  283    H2*    U  27           H2*        U  27  -2.864 -12.395  -6.741
  284   2HO*    U  27          2HO*        U  27  -3.374 -12.223  -9.029
  285    H1*    U  27           H1*        U  27  -3.413  -9.760  -6.696
  286    H3     U  27           H3         U  27  -1.234 -11.208  -2.863
  287    H5     U  27           H5         U  27  -5.333 -11.224  -1.978
  288    H6     U  27           H6         U  27  -5.782 -10.842  -4.310
  289   1H5*    A  28          1H5*        A  28  -2.653 -13.698  -9.613
  290   2H5*    A  28          2H5*        A  28  -2.416 -15.423  -9.942
  291    H4*    A  28           H4*        A  28  -0.268 -14.270  -9.804
  292    H3*    A  28           H3*        A  28  -0.779 -16.183  -7.500
  293    H2*    A  28           H2*        A  28   1.496 -15.666  -6.825
  294   2HO*    A  28          2HO*        A  28   2.259 -15.568  -9.054
  295    H1*    A  28           H1*        A  28   1.237 -13.001  -7.076
  296    H8     A  28           H8         A  28  -2.201 -14.058  -6.014
  297   1H6     A  28          1H6         A  28   0.021 -14.039  -0.223
  298   2H6     A  28          2H6         A  28  -1.422 -14.049  -1.212
  299    H2     A  28           H2         A  28   3.477 -13.981  -3.030
  300   1H5*    U  29          1H5*        U  29   3.041 -16.954  -9.088
  301   2H5*    U  29          2H5*        U  29   3.424 -18.683  -9.154
  302    H4*    U  29           H4*        U  29   5.104 -17.412  -7.857
  303    H3*    U  29           H3*        U  29   3.446 -19.359  -6.204
  304    H2*    U  29           H2*        U  29   5.005 -18.784  -4.417
  305   2HO*    U  29          2HO*        U  29   6.822 -18.586  -5.915
  306    H1*    U  29           H1*        U  29   4.754 -16.128  -4.772
  307    H3     U  29           H3         U  29   2.291 -17.519  -1.165
  308    H5     U  29           H5         U  29  -0.302 -17.813  -4.447
  309    H6     U  29           H6         U  29   1.558 -17.361  -5.898
  310   1H5*    C  30          1H5*        C  30   7.480 -20.033  -5.358
  311   2H5*    C  30          2H5*        C  30   7.879 -21.756  -5.265
  312    H4*    C  30           H4*        C  30   8.544 -20.551  -3.219
  313    H3*    C  30           H3*        C  30   6.292 -22.561  -2.805
  314    H2*    C  30           H2*        C  30   6.607 -22.062  -0.441
  315   2HO*    C  30          2HO*        C  30   8.972 -21.768  -0.820
  316    H1*    C  30           H1*        C  30   6.537 -19.388  -0.783
  317   1H4     C  30          1H4         C  30   0.486 -21.144  -0.122
  318   2H4     C  30          2H4         C  30   0.277 -21.124  -1.869
  319    H5     C  30           H5         C  30   2.163 -20.842  -3.414
  320    H6     C  30           H6         C  30   4.531 -20.463  -3.549
  321   1H5*    C  31          1H5*        C  31   9.153 -23.170   0.156
  322   2H5*    C  31          2H5*        C  31   9.604 -24.884   0.255
  323    H4*    C  31           H4*        C  31   8.958 -24.096   2.475
  324    H3*    C  31           H3*        C  31   6.923 -25.925   1.146
  325    H2*    C  31           H2*        C  31   5.785 -25.937   3.276
  326   2HO*    C  31          2HO*        C  31   7.826 -25.924   4.495
  327    H1*    C  31           H1*        C  31   5.943 -23.232   3.593
  328   1H4     C  31          1H4         C  31   0.465 -24.368   0.658
  329   2H4     C  31          2H4         C  31   1.230 -24.196  -0.916
  330    H5     C  31           H5         C  31   3.657 -23.938  -1.181
  331    H6     C  31           H6         C  31   5.743 -23.758   0.002
  332    H3T    C  31           H3T        C  31   8.951 -26.856   1.593
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1 -12.004 -23.038   4.545
    2   2H5*    G   1          2H5*        G   1 -11.511 -21.560   5.393
    3    H4*    G   1           H4*        G   1 -10.105 -23.361   6.143
    4    H3*    G   1           H3*        G   1  -8.682 -21.447   4.284
    5    H2*    G   1           H2*        G   1  -6.669 -22.671   4.796
    6   2HO*    G   1          2HO*        G   1  -7.249 -23.030   7.015
    7    H1*    G   1           H1*        G   1  -7.723 -25.068   4.353
    8    H8     G   1           H8         G   1  -9.713 -23.062   1.946
    9    H1     G   1           H1         G   1  -3.575 -23.729   0.159
   10   1H2     G   1          1H2         G   1  -2.405 -24.476   1.877
   11   2H2     G   1          2H2         G   1  -3.197 -24.848   3.410
   12    H5T    G   1           H5T        G   1 -10.378 -20.922   3.525
   13   1H5*    G   2          1H5*        G   2  -6.296 -21.839   7.675
   14   2H5*    G   2          2H5*        G   2  -5.706 -20.273   8.235
   15    H4*    G   2           H4*        G   2  -3.866 -21.850   7.885
   16    H3*    G   2           H3*        G   2  -3.907 -19.480   6.001
   17    H2*    G   2           H2*        G   2  -1.767 -20.342   5.188
   18   2HO*    G   2          2HO*        G   2  -1.155 -21.042   7.341
   19    H1*    G   2           H1*        G   2  -2.592 -22.843   4.866
   20    H8     G   2           H8         G   2  -5.728 -20.990   4.124
   21    H1     G   2           H1         G   2  -1.303 -20.386  -0.512
   22   1H2     G   2          1H2         G   2   0.639 -21.052   0.242
   23   2H2     G   2          2H2         G   2   0.784 -21.731   1.867
   24   1H5*    A   3          1H5*        A   3   0.005 -19.926   7.617
   25   2H5*    A   3          2H5*        A   3   0.707 -18.375   8.083
   26    H4*    A   3           H4*        A   3   2.170 -19.605   6.546
   27    H3*    A   3           H3*        A   3   1.019 -17.028   5.433
   28    H2*    A   3           H2*        A   3   2.419 -17.460   3.494
   29   2HO*    A   3          2HO*        A   3   4.137 -18.371   4.795
   30    H1*    A   3           H1*        A   3   1.653 -19.971   3.159
   31    H8     A   3           H8         A   3  -1.444 -18.471   4.607
   32   1H6     A   3          1H6         A   3  -2.571 -16.263  -1.048
   33   2H6     A   3          2H6         A   3  -3.205 -16.545   0.581
   34    H2     A   3           H2         A   3   1.622 -17.657  -0.978
   35   1H5*    U   4          1H5*        U   4   5.153 -17.107   4.684
   36   2H5*    U   4          2H5*        U   4   5.918 -15.545   4.985
   37    H4*    U   4           H4*        U   4   6.330 -16.344   2.685
   38    H3*    U   4           H3*        U   4   4.644 -13.814   2.883
   39    H2*    U   4           H2*        U   4   4.760 -13.787   0.471
   40   2HO*    U   4          2HO*        U   4   6.945 -14.581   0.454
   41    H1*    U   4           H1*        U   4   4.110 -16.348   0.123
   42    H3     U   4           H3         U   4   0.515 -13.740  -0.888
   43    H5     U   4           H5         U   4   0.134 -14.536   3.203
   44    H6     U   4           H6         U   4   2.325 -15.500   3.175
   45   1H5*    A   5          1H5*        A   5   7.732 -13.217   0.075
   46   2H5*    A   5          2H5*        A   5   8.476 -11.629   0.261
   47    H4*    A   5           H4*        A   5   7.721 -11.986  -2.020
   48    H3*    A   5           H3*        A   5   6.186  -9.803  -0.592
   49    H2*    A   5           H2*        A   5   5.085  -9.382  -2.612
   50   2HO*    A   5          2HO*        A   5   6.948  -9.645  -3.930
   51    H1*    A   5           H1*        A   5   4.509 -11.926  -3.186
   52    H8     A   5           H8         A   5   4.410 -11.855   0.562
   53   1H6     A   5          1H6         A   5  -1.419  -9.885  -0.076
   54   2H6     A   5          2H6         A   5  -0.186 -10.511   1.032
   55    H2     A   5           H2         A   5   0.546  -9.502  -4.012
   56   1H5*    U   6          1H5*        U   6   7.296  -5.552  -3.361
   57   2H5*    U   6          2H5*        U   6   5.992  -6.104  -2.329
   58    H4*    U   6           H4*        U   6   6.208  -6.498  -5.349
   59    H3*    U   6           H3*        U   6   4.654  -4.801  -3.446
   60    H2*    U   6           H2*        U   6   2.633  -5.046  -4.677
   61   2HO*    U   6          2HO*        U   6   3.541  -4.901  -6.740
   62    H1*    U   6           H1*        U   6   2.739  -7.657  -4.991
   63    H3     U   6           H3         U   6  -0.082  -6.484  -1.541
   64    H5     U   6           H5         U   6   3.608  -7.461   0.224
   65    H6     U   6           H6         U   6   4.605  -7.537  -1.966
   66   1H5*    A   7          1H5*        A   7   2.414  -1.135  -6.417
   67   2H5*    A   7          2H5*        A   7   2.287  -1.681  -4.753
   68    H4*    A   7           H4*        A   7   0.815  -2.833  -7.154
   69    H3*    A   7           H3*        A   7   0.240  -0.850  -5.045
   70    H2*    A   7           H2*        A   7  -1.621  -1.862  -4.089
   71   2HO*    A   7          2HO*        A   7  -2.599  -2.150  -6.184
   72    H1*    A   7           H1*        A   7  -1.020  -4.470  -4.306
   73    H8     A   7           H8         A   7   2.345  -3.345  -3.537
   74   1H6     A   7          1H6         A   7   0.563  -2.661   2.338
   75   2H6     A   7          2H6         A   7   1.957  -2.690   1.238
   76    H2     A   7           H2         A   7  -3.039  -3.251  -0.054
   77   1H5*    U   8          1H5*        U   8  -3.568   1.849  -5.378
   78   2H5*    U   8          2H5*        U   8  -2.348   1.241  -4.276
   79    H4*    U   8           H4*        U   8  -5.149   0.087  -4.634
   80    H3*    U   8           H3*        U   8  -3.816   1.966  -2.708
   81    H2*    U   8           H2*        U   8  -5.068   1.004  -0.871
   82   2HO*    U   8          2HO*        U   8  -6.980   0.752  -2.167
   83    H1*    U   8           H1*        U   8  -4.494  -1.530  -1.464
   84    H3     U   8           H3         U   8  -1.632   0.087   1.829
   85    H5     U   8           H5         U   8   0.439   0.283  -1.812
   86    H6     U   8           H6         U   8  -1.608  -0.172  -2.967
   87   1H5*    G   9          1H5*        G   9  -7.965   2.357  -1.449
   88   2H5*    G   9          2H5*        G   9  -8.313   4.100  -1.383
   89    H4*    G   9           H4*        G   9  -8.698   3.100   0.812
   90    H3*    G   9           H3*        G   9  -6.187   4.760   0.703
   91    H2*    G   9           H2*        G   9  -6.210   4.550   3.159
   92   2HO*    G   9          2HO*        G   9  -8.742   4.089   3.047
   93    H1*    G   9           H1*        G   9  -6.236   1.945   2.970
   94    H8     G   9           H8         G   9  -4.604   2.837  -0.291
   95    H1     G   9           H1         G   9  -0.766   3.914   4.703
   96   1H2     G   9          1H2         G   9  -1.939   3.992   6.548
   97   2H2     G   9          2H2         G   9  -3.665   3.589   6.521
   98   1H5*    A  10          1H5*        A  10  -8.993   5.318   4.702
   99   2H5*    A  10          2H5*        A  10  -9.563   6.991   4.829
  100    H4*    A  10           H4*        A  10  -8.009   6.405   6.618
  101    H3*    A  10           H3*        A  10  -6.862   8.458   4.683
  102    H2*    A  10           H2*        A  10  -5.024   8.572   6.226
  103   2HO*    A  10          2HO*        A  10  -6.362   8.383   8.093
  104    H1*    A  10           H1*        A  10  -4.677   5.936   6.452
  105    H8     A  10           H8         A  10  -5.916   6.471   2.945
  106   1H6     A  10          1H6         A  10   0.085   7.499   1.629
  107   2H6     A  10          2H6         A  10  -1.535   7.292   0.937
  108    H2     A  10           H2         A  10  -0.378   7.542   5.982
  109   1H5*    U  11          1H5*        U  11  -6.289   9.955   8.657
  110   2H5*    U  11          2H5*        U  11  -6.685  11.684   8.633
  111    H4*    U  11           H4*        U  11  -4.379  11.276   9.438
  112    H3*    U  11           H3*        U  11  -4.579  12.556   6.712
  113    H2*    U  11           H2*        U  11  -2.235  13.056   6.945
  114   2HO*    U  11          2HO*        U  11  -2.220  13.311   9.301
  115    H1*    U  11           H1*        U  11  -1.689  10.533   7.694
  116    H3     U  11           H3         U  11  -0.184  11.140   3.490
  117    H5     U  11           H5         U  11  -4.242  10.192   2.977
  118    H6     U  11           H6         U  11  -4.527  10.316   5.389
  119   1H5*    A  12          1H5*        A  12  -3.019  16.823   8.884
  120   2H5*    A  12          2H5*        A  12  -3.066  15.630   7.574
  121    H4*    A  12           H4*        A  12  -0.597  16.257   9.244
  122    H3*    A  12           H3*        A  12  -1.486  17.211   6.500
  123    H2*    A  12           H2*        A  12   0.897  17.386   6.022
  124   2HO*    A  12          2HO*        A  12   1.321  18.144   8.224
  125    H1*    A  12           H1*        A  12   1.550  15.075   7.133
  126    H8     A  12           H8         A  12  -1.709  14.482   5.410
  127   1H6     A  12          1H6         A  12   1.678  13.748   0.221
  128   2H6     A  12          2H6         A  12   0.080  13.529   0.938
  129    H2     A  12           H2         A  12   4.337  15.214   3.389
  130   1H5*    C  13          1H5*        C  13   1.795  19.595   7.900
  131   2H5*    C  13          2H5*        C  13   1.385  21.316   7.646
  132    H4*    C  13           H4*        C  13   3.588  20.912   6.722
  133    H3*    C  13           H3*        C  13   1.512  21.302   4.612
  134    H2*    C  13           H2*        C  13   3.371  21.160   3.073
  135   2HO*    C  13          2HO*        C  13   4.787  22.421   4.262
  136    H1*    C  13           H1*        C  13   4.627  19.074   4.210
  137   1H4     C  13          1H4         C  13   0.944  16.583  -0.214
  138   2H4     C  13          2H4         C  13  -0.458  16.560   0.865
  139    H5     C  13           H5         C  13  -0.367  17.499   3.114
  140    H6     C  13           H6         C  13   0.988  18.713   4.620
  141   1H5*    A  14          1H5*        A  14   3.226  25.269   1.847
  142   2H5*    A  14          2H5*        A  14   2.197  23.858   1.685
  143    H4*    A  14           H4*        A  14   5.171  24.016   1.086
  144    H3*    A  14           H3*        A  14   2.579  23.681  -0.378
  145    H2*    A  14           H2*        A  14   3.466  22.200  -2.017
  146   2HO*    A  14          2HO*        A  14   5.680  23.104  -2.080
  147    H1*    A  14           H1*        A  14   4.458  20.603  -0.272
  148    H8     A  14           H8         A  14   1.859  21.890   2.041
  149   1H6     A  14          1H6         A  14  -2.148  18.448  -1.169
  150   2H6     A  14          2H6         A  14  -1.915  19.407   0.318
  151    H2     A  14           H2         A  14   1.528  18.664  -3.503
  152   1H5*    A  15          1H5*        A  15   5.497  25.854  -4.444
  153   2H5*    A  15          2H5*        A  15   4.001  25.118  -3.852
  154    H4*    A  15           H4*        A  15   6.190  23.547  -5.303
  155    H3*    A  15           H3*        A  15   4.564  25.472  -6.430
  156    H2*    A  15           H2*        A  15   2.628  24.746  -5.513
  157   2HO*    A  15          2HO*        A  15   2.860  23.475  -8.025
  158    H1*    A  15           H1*        A  15   3.268  21.844  -6.230
  159    H8     A  15           H8         A  15   2.316  23.672  -2.980
  160   1H6     A  15          1H6         A  15  -2.884  20.330  -3.435
  161   2H6     A  15          2H6         A  15  -2.044  21.588  -2.504
  162    H2     A  15           H2         A  15  -0.292  19.234  -6.774
  163   1H5*    U  16          1H5*        U  16   3.494  20.026  -8.812
  164   2H5*    U  16          2H5*        U  16   3.983  20.933 -10.246
  165    H4*    U  16           H4*        U  16   1.792  20.136 -10.714
  166    H3*    U  16           H3*        U  16   1.566  22.974  -9.730
  167    H2*    U  16           H2*        U  16  -0.649  22.951 -10.429
  168   2HO*    U  16          2HO*        U  16  -0.276  21.733 -12.481
  169    H1*    U  16           H1*        U  16  -0.985  20.228  -9.696
  170    H3     U  16           H3         U  16  -3.995  22.309  -6.967
  171    H5     U  16           H5         U  16  -0.344  24.225  -6.097
  172    H6     U  16           H6         U  16   0.687  22.787  -7.710
  173   1H5*    U  17          1H5*        U  17   3.776  20.285 -12.263
  174   2H5*    U  17          2H5*        U  17   3.783  20.339 -14.010
  175    H4*    U  17           H4*        U  17   1.990  18.268 -13.544
  176    H3*    U  17           H3*        U  17   3.579  18.540 -11.149
  177    H2*    U  17           H2*        U  17   5.147  16.804 -11.355
  178   2HO*    U  17          2HO*        U  17   3.353  15.276 -11.845
  179    H1*    U  17           H1*        U  17   5.541  16.639 -13.988
  180    H3     U  17           H3         U  17   8.195  20.269 -14.952
  181    H5     U  17           H5         U  17   7.113  20.758 -10.955
  182    H6     U  17           H6         U  17   5.613  18.912 -11.146
  183   1H5*    U  18          1H5*        U  18   4.041  14.701  -8.643
  184   2H5*    U  18          2H5*        U  18   4.691  14.934 -10.228
  185    H4*    U  18           H4*        U  18   2.987  12.516  -9.564
  186    H3*    U  18           H3*        U  18   5.608  13.075  -8.494
  187    H2*    U  18           H2*        U  18   7.011  11.764  -9.819
  188   2HO*    U  18          2HO*        U  18   5.898   9.880  -9.230
  189    H1*    U  18           H1*        U  18   5.648  11.471 -12.157
  190    H3     U  18           H3         U  18   7.454  14.912 -14.468
  191    H5     U  18           H5         U  18   8.021  16.018 -10.465
  192    H6     U  18           H6         U  18   6.772  14.115  -9.798
  193   1H5*    G  19          1H5*        G  19   6.783  10.802  -4.541
  194   2H5*    G  19          2H5*        G  19   5.262  11.652  -4.197
  195    H4*    G  19           H4*        G  19   7.891  13.076  -4.806
  196    H3*    G  19           H3*        G  19   7.735  11.548  -2.555
  197    H2*    G  19           H2*        G  19   5.616  12.201  -1.880
  198   2HO*    G  19          2HO*        G  19   7.616  13.743  -0.667
  199    H1*    G  19           H1*        G  19   6.044  15.102  -2.260
  200    H8     G  19           H8         G  19   4.002  13.504  -0.619
  201    H1     G  19           H1         G  19   0.432  15.334  -5.648
  202   1H2     G  19          1H2         G  19   1.774  16.077  -7.305
  203   2H2     G  19          2H2         G  19   3.480  16.088  -7.062
  204   1H5*    A  20          1H5*        A  20   9.936  10.798   0.303
  205   2H5*    A  20          2H5*        A  20   8.282  11.159  -0.201
  206    H4*    A  20           H4*        A  20   9.612  12.214   2.328
  207    H3*    A  20           H3*        A  20   7.744   9.848   1.936
  208    H2*    A  20           H2*        A  20   6.688  10.432   3.992
  209   2HO*    A  20          2HO*        A  20   8.778  11.122   4.953
  210    H1*    A  20           H1*        A  20   6.359  13.019   3.451
  211    H8     A  20           H8         A  20   6.283  11.276   0.120
  212   1H6     A  20          1H6         A  20   0.300  10.137   1.434
  213   2H6     A  20          2H6         A  20   1.556  10.043   0.191
  214    H2     A  20           H2         A  20   2.197  11.713   5.054
  215   1H5*    U  21          1H5*        U  21   8.811   9.805   6.052
  216   2H5*    U  21          2H5*        U  21   9.009   8.139   6.602
  217    H4*    U  21           H4*        U  21   7.242   9.402   7.820
  218    H3*    U  21           H3*        U  21   6.213   7.078   6.166
  219    H2*    U  21           H2*        U  21   4.160   7.384   7.395
  220   2HO*    U  21          2HO*        U  21   5.104   8.147   9.407
  221    H1*    U  21           H1*        U  21   4.079   9.950   6.837
  222    H3     U  21           H3         U  21   1.259   7.717   4.028
  223    H5     U  21           H5         U  21   4.975   7.698   2.080
  224    H6     U  21           H6         U  21   5.980   8.571   4.053
  225   1H5*    C  22          1H5*        C  22   5.517   4.756  10.750
  226   2H5*    C  22          2H5*        C  22   5.212   4.981   9.038
  227    H4*    C  22           H4*        C  22   3.389   5.980  11.274
  228    H3*    C  22           H3*        C  22   3.404   3.433   9.635
  229    H2*    C  22           H2*        C  22   1.069   3.495   9.453
  230   2HO*    C  22          2HO*        C  22   0.712   4.113  11.625
  231    H1*    C  22           H1*        C  22   0.797   6.108   8.912
  232   1H4     C  22          1H4         C  22   1.325   3.306   3.283
  233   2H4     C  22          2H4         C  22   3.073   3.569   3.286
  234    H5     C  22           H5         C  22   4.240   4.542   5.157
  235    H6     C  22           H6         C  22   3.988   5.409   7.408
  236   1H5*    A  23          1H5*        A  23   0.574   0.026  11.952
  237   2H5*    A  23          2H5*        A  23   1.087   0.507  10.343
  238    H4*    A  23           H4*        A  23  -1.505   1.360  11.700
  239    H3*    A  23           H3*        A  23  -0.665  -0.714   9.707
  240    H2*    A  23           H2*        A  23  -2.666  -0.362   8.397
  241   2HO*    A  23          2HO*        A  23  -3.910   0.059  10.419
  242    H1*    A  23           H1*        A  23  -2.406   2.251   8.244
  243    H8     A  23           H8         A  23   1.170   1.583   8.645
  244   1H6     A  23          1H6         A  23   1.090  -0.309   2.709
  245   2H6     A  23          2H6         A  23   2.131   0.109   4.092
  246    H2     A  23           H2         A  23  -3.040  -0.360   4.185
  247   1H5*    G  24          1H5*        G  24  -4.389  -1.474   9.109
  248   2H5*    G  24          2H5*        G  24  -4.901  -2.741  10.237
  249    H4*    G  24           H4*        G  24  -5.835  -3.170   8.069
  250    H3*    G  24           H3*        G  24  -4.222  -4.876   9.561
  251    H2*    G  24           H2*        G  24  -2.416  -5.120   8.360
  252   2HO*    G  24          2HO*        G  24  -4.359  -6.708   7.244
  253    H1*    G  24           H1*        G  24  -3.604  -4.588   5.677
  254    H8     G  24           H8         G  24  -1.781  -2.253   7.956
  255    H1     G  24           H1         G  24   1.881  -4.959   3.403
  256   1H2     G  24          1H2         G  24   0.684  -6.634   2.442
  257   2H2     G  24          2H2         G  24  -0.881  -7.037   3.129
  258   1H5*    U  25          1H5*        U  25  -9.309  -5.794   6.641
  259   2H5*    U  25          2H5*        U  25  -7.659  -6.292   6.296
  260    H4*    U  25           H4*        U  25  -9.005  -3.739   5.289
  261    H3*    U  25           H3*        U  25  -8.364  -6.403   4.046
  262    H2*    U  25           H2*        U  25  -7.628  -5.376   2.042
  263   2HO*    U  25          2HO*        U  25  -9.357  -3.873   1.960
  264    H1*    U  25           H1*        U  25  -6.248  -3.329   3.173
  265    H3     U  25           H3         U  25  -2.530  -5.666   2.349
  266    H5     U  25           H5         U  25  -4.741  -8.351   4.677
  267    H6     U  25           H6         U  25  -6.519  -6.709   4.753
  268   1H5*    A  26          1H5*        A  26 -10.788  -7.082  -0.288
  269   2H5*    A  26          2H5*        A  26  -9.161  -7.294   0.343
  270    H4*    A  26           H4*        A  26 -10.112  -5.086  -1.528
  271    H3*    A  26           H3*        A  26  -8.463  -7.591  -1.802
  272    H2*    A  26           H2*        A  26  -6.909  -6.509  -3.237
  273   2HO*    A  26          2HO*        A  26  -8.703  -5.326  -4.298
  274    H1*    A  26           H1*        A  26  -6.619  -4.262  -1.846
  275    H8     A  26           H8         A  26  -7.251  -6.882   0.759
  276   1H6     A  26          1H6         A  26  -1.131  -7.831   0.452
  277   2H6     A  26          2H6         A  26  -2.580  -8.178   1.394
  278    H2     A  26           H2         A  26  -2.293  -5.524  -3.072
  279   1H5*    U  27          1H5*        U  27  -8.395  -6.423  -5.666
  280   2H5*    U  27          2H5*        U  27  -8.760  -7.768  -6.751
  281    H4*    U  27           H4*        U  27  -6.569  -6.889  -7.254
  282    H3*    U  27           H3*        U  27  -6.392  -9.612  -5.918
  283    H2*    U  27           H2*        U  27  -4.036  -9.458  -6.452
  284   2HO*    U  27          2HO*        U  27  -4.459  -8.430  -8.495
  285    H1*    U  27           H1*        U  27  -3.733  -6.943  -5.545
  286    H3     U  27           H3         U  27  -1.866  -9.710  -2.451
  287    H5     U  27           H5         U  27  -5.961  -9.677  -1.511
  288    H6     U  27           H6         U  27  -6.381  -8.470  -3.558
  289   1H5*    A  28          1H5*        A  28  -4.144  -9.803  -9.501
  290   2H5*    A  28          2H5*        A  28  -4.347 -11.368 -10.299
  291    H4*    A  28           H4*        A  28  -1.991 -10.869  -9.901
  292    H3*    A  28           H3*        A  28  -3.011 -13.214  -8.252
  293    H2*    A  28           H2*        A  28  -0.730 -13.451  -7.544
  294   2HO*    A  28          2HO*        A  28   0.067 -12.862  -9.688
  295    H1*    A  28           H1*        A  28  -0.333 -10.870  -6.954
  296    H8     A  28           H8         A  28  -3.959 -11.407  -6.164
  297   1H6     A  28          1H6         A  28  -1.908 -13.498  -0.684
  298   2H6     A  28          2H6         A  28  -3.322 -13.004  -1.604
  299    H2     A  28           H2         A  28   1.536 -13.325  -3.425
  300   1H5*    U  29          1H5*        U  29   0.553 -14.411 -10.082
  301   2H5*    U  29          2H5*        U  29   0.496 -16.089 -10.628
  302    H4*    U  29           H4*        U  29   2.342 -15.702  -9.065
  303    H3*    U  29           H3*        U  29   0.191 -17.532  -7.925
  304    H2*    U  29           H2*        U  29   1.771 -17.819  -6.107
  305   2HO*    U  29          2HO*        U  29   3.615 -17.797  -7.476
  306    H1*    U  29           H1*        U  29   2.253 -15.213  -5.766
  307    H3     U  29           H3         U  29  -0.527 -16.640  -2.434
  308    H5     U  29           H5         U  29  -3.086 -15.557  -5.568
  309    H6     U  29           H6         U  29  -1.182 -15.314  -7.014
  310   1H5*    C  30          1H5*        C  30   3.926 -19.406  -7.484
  311   2H5*    C  30          2H5*        C  30   3.839 -21.142  -7.805
  312    H4*    C  30           H4*        C  30   4.744 -20.677  -5.573
  313    H3*    C  30           H3*        C  30   2.023 -22.060  -5.512
  314    H2*    C  30           H2*        C  30   2.416 -22.192  -3.129
  315   2HO*    C  30          2HO*        C  30   4.760 -22.471  -3.538
  316    H1*    C  30           H1*        C  30   3.070 -19.618  -2.832
  317   1H4     C  30          1H4         C  30  -3.169 -19.669  -2.238
  318   2H4     C  30          2H4         C  30  -3.371 -19.229  -3.937
  319    H5     C  30           H5         C  30  -1.526 -19.226  -5.499
  320    H6     C  30           H6         C  30   0.841 -19.505  -5.703
  321   1H5*    C  31          1H5*        C  31   4.558 -24.082  -2.910
  322   2H5*    C  31          2H5*        C  31   4.538 -25.815  -3.262
  323    H4*    C  31           H4*        C  31   4.061 -25.490  -0.904
  324    H3*    C  31           H3*        C  31   1.611 -26.275  -2.529
  325    H2*    C  31           H2*        C  31   0.479 -26.506  -0.428
  326   2HO*    C  31          2HO*        C  31   2.436 -27.389   0.621
  327    H1*    C  31           H1*        C  31   1.382 -24.136   0.565
  328   1H4     C  31          1H4         C  31  -4.075 -22.850  -2.250
  329   2H4     C  31          2H4         C  31  -3.258 -22.504  -3.785
  330    H5     C  31           H5         C  31  -0.911 -22.931  -4.133
  331    H6     C  31           H6         C  31   1.108 -23.671  -3.079
  332    H3T    C  31           H3T        C  31   3.265 -27.818  -2.474
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  -8.049 -20.673   6.483
    2   2H5*    G   1          2H5*        G   1  -7.292 -21.673   5.253
    3    H4*    G   1           H4*        G   1  -6.734 -21.894   8.247
    4    H3*    G   1           H3*        G   1  -5.381 -20.326   6.052
    5    H2*    G   1           H2*        G   1  -3.246 -20.862   7.066
    6   2HO*    G   1          2HO*        G   1  -4.079 -20.716   9.236
    7    H1*    G   1           H1*        G   1  -3.689 -23.461   7.280
    8    H8     G   1           H8         G   1  -5.788 -22.701   4.307
    9    H1     G   1           H1         G   1   0.517 -22.434   3.073
   10   1H2     G   1          1H2         G   1   1.622 -22.390   4.999
   11   2H2     G   1          2H2         G   1   0.753 -22.493   6.529
   12    H5T    G   1           H5T        G   1  -8.129 -23.519   6.424
   13   1H5*    G   2          1H5*        G   2  -3.403 -19.267   9.540
   14   2H5*    G   2          2H5*        G   2  -3.201 -17.520   9.663
   15    H4*    G   2           H4*        G   2  -1.056 -18.691   9.872
   16    H3*    G   2           H3*        G   2  -1.355 -16.967   7.397
   17    H2*    G   2           H2*        G   2   0.986 -17.507   6.975
   18   2HO*    G   2          2HO*        G   2   1.477 -17.459   9.269
   19    H1*    G   2           H1*        G   2   0.721 -20.129   7.333
   20    H8     G   2           H8         G   2  -2.613 -19.269   5.920
   21    H1     G   2           H1         G   2   2.115 -18.960   1.571
   22   1H2     G   2          1H2         G   2   4.053 -18.995   2.590
   23   2H2     G   2          2H2         G   2   4.139 -19.171   4.344
   24   1H5*    A   3          1H5*        A   3   2.367 -16.093   9.238
   25   2H5*    A   3          2H5*        A   3   2.682 -14.358   9.274
   26    H4*    A   3           H4*        A   3   4.518 -15.586   8.210
   27    H3*    A   3           H3*        A   3   2.979 -13.744   6.352
   28    H2*    A   3           H2*        A   3   4.667 -14.343   4.699
   29   2HO*    A   3          2HO*        A   3   6.367 -14.430   6.304
   30    H1*    A   3           H1*        A   3   4.463 -16.958   5.063
   31    H8     A   3           H8         A   3   0.980 -15.861   5.850
   32   1H6     A   3          1H6         A   3   0.101 -15.468  -0.260
   33   2H6     A   3          2H6         A   3  -0.655 -15.419   1.339
   34    H2     A   3           H2         A   3   4.440 -15.915   0.435
   35   1H5*    U   4          1H5*        U   4   7.114 -13.003   5.870
   36   2H5*    U   4          2H5*        U   4   7.472 -11.277   5.716
   37    H4*    U   4           H4*        U   4   8.318 -12.571   3.789
   38    H3*    U   4           H3*        U   4   6.091 -10.605   3.128
   39    H2*    U   4           H2*        U   4   6.497 -11.239   0.816
   40   2HO*    U   4          2HO*        U   4   8.798 -11.463   1.192
   41    H1*    U   4           H1*        U   4   6.445 -13.872   1.266
   42    H3     U   4           H3         U   4   2.541 -12.494  -0.634
   43    H5     U   4           H5         U   4   1.890 -12.184   3.491
   44    H6     U   4           H6         U   4   4.217 -12.621   3.836
   45   1H5*    A   5          1H5*        A   5   9.039 -10.143   0.226
   46   2H5*    A   5          2H5*        A   5   9.429  -8.444  -0.029
   47    H4*    A   5           H4*        A   5   8.884  -9.552  -2.132
   48    H3*    A   5           H3*        A   5   6.894  -7.418  -1.286
   49    H2*    A   5           H2*        A   5   5.738  -7.769  -3.269
   50   2HO*    A   5          2HO*        A   5   7.629  -7.949  -4.579
   51    H1*    A   5           H1*        A   5   5.815 -10.469  -3.253
   52    H8     A   5           H8         A   5   5.484  -9.549   0.352
   53   1H6     A   5          1H6         A   5  -0.581  -9.011  -0.860
   54   2H6     A   5          2H6         A   5   0.651  -9.136   0.415
   55    H2     A   5           H2         A   5   1.543  -9.059  -4.703
   56   1H5*    U   6          1H5*        U   6   6.929  -3.678  -4.442
   57   2H5*    U   6          2H5*        U   6   5.845  -4.526  -3.349
   58    H4*    U   6           H4*        U   6   6.064  -4.972  -6.363
   59    H3*    U   6           H3*        U   6   4.239  -3.489  -4.502
   60    H2*    U   6           H2*        U   6   2.313  -4.102  -5.784
   61   2HO*    U   6          2HO*        U   6   3.306  -3.878  -7.822
   62    H1*    U   6           H1*        U   6   2.906  -6.695  -5.973
   63    H3     U   6           H3         U   6  -0.213  -5.871  -2.692
   64    H5     U   6           H5         U   6   3.513  -6.077  -0.761
   65    H6     U   6           H6         U   6   4.597  -6.108  -2.902
   66   1H5*    A   7          1H5*        A   7   1.568  -0.085  -6.918
   67   2H5*    A   7          2H5*        A   7   1.456  -1.052  -5.460
   68    H4*    A   7           H4*        A   7   0.275  -1.811  -8.166
   69    H3*    A   7           H3*        A   7  -0.712  -0.251  -5.833
   70    H2*    A   7           H2*        A   7  -2.664  -1.519  -5.472
   71   2HO*    A   7          2HO*        A   7  -2.963  -1.566  -7.861
   72    H1*    A   7           H1*        A   7  -1.719  -3.982  -5.861
   73    H8     A   7           H8         A   7   1.345  -2.756  -4.328
   74   1H6     A   7          1H6         A   7  -1.744  -2.642   1.080
   75   2H6     A   7          2H6         A   7  -0.140  -2.549   0.318
   76    H2     A   7           H2         A   7  -4.679  -3.106  -2.136
   77   1H5*    U   8          1H5*        U   8  -4.335  -0.251  -7.489
   78   2H5*    U   8          2H5*        U   8  -4.837   1.438  -7.688
   79    H4*    U   8           H4*        U   8  -6.377   0.260  -6.213
   80    H3*    U   8           H3*        U   8  -4.672   2.362  -4.847
   81    H2*    U   8           H2*        U   8  -6.048   1.893  -2.895
   82   2HO*    U   8          2HO*        U   8  -7.980   1.735  -4.109
   83    H1*    U   8           H1*        U   8  -5.991  -0.775  -3.106
   84    H3     U   8           H3         U   8  -3.390   0.491   0.447
   85    H5     U   8           H5         U   8  -0.819   0.428  -2.878
   86    H6     U   8           H6         U   8  -2.739   0.166  -4.314
   87   1H5*    G   9          1H5*        G   9  -8.960   3.171  -3.933
   88   2H5*    G   9          2H5*        G   9  -9.155   4.936  -3.917
   89    H4*    G   9           H4*        G   9  -9.884   3.897  -1.789
   90    H3*    G   9           H3*        G   9  -7.370   5.551  -1.565
   91    H2*    G   9           H2*        G   9  -7.687   5.369   0.839
   92   2HO*    G   9          2HO*        G   9 -10.091   5.156   0.751
   93    H1*    G   9           H1*        G   9  -7.777   2.731   0.674
   94    H8     G   9           H8         G   9  -5.637   3.678  -2.315
   95    H1     G   9           H1         G   9  -2.666   4.438   3.310
   96   1H2     G   9          1H2         G   9  -4.145   4.367   4.943
   97   2H2     G   9          2H2         G   9  -5.834   4.000   4.590
   98   1H5*    A  10          1H5*        A  10 -10.034   9.077   0.847
   99   2H5*    A  10          2H5*        A  10  -8.560   8.179   0.543
  100    H4*    A  10           H4*        A  10 -10.120   8.177   3.178
  101    H3*    A  10           H3*        A  10  -7.599   9.503   2.197
  102    H2*    A  10           H2*        A  10  -6.739   9.461   4.468
  103   2HO*    A  10          2HO*        A  10  -9.150   9.319   5.362
  104    H1*    A  10           H1*        A  10  -7.106   6.870   4.615
  105    H8     A  10           H8         A  10  -6.818   7.164   0.923
  106   1H6     A  10          1H6         A  10  -0.690   7.510   1.819
  107   2H6     A  10          2H6         A  10  -1.976   7.258   0.645
  108    H2     A  10           H2         A  10  -2.646   8.056   5.738
  109   1H5*    U  11          1H5*        U  11  -8.308  13.459   5.037
  110   2H5*    U  11          2H5*        U  11  -7.343  12.339   4.093
  111    H4*    U  11           H4*        U  11  -7.150  12.708   7.119
  112    H3*    U  11           H3*        U  11  -5.638  13.831   4.760
  113    H2*    U  11           H2*        U  11  -3.602  13.716   6.041
  114   2HO*    U  11          2HO*        U  11  -4.674  14.367   8.001
  115    H1*    U  11           H1*        U  11  -3.971  11.254   6.974
  116    H3     U  11           H3         U  11  -0.868  11.133   3.615
  117    H5     U  11           H5         U  11  -4.556  10.650   1.701
  118    H6     U  11           H6         U  11  -5.671  11.100   3.820
  119   1H5*    A  12          1H5*        A  12  -4.142  16.133   8.179
  120   2H5*    A  12          2H5*        A  12  -4.190  17.825   7.636
  121    H4*    A  12           H4*        A  12  -1.955  17.262   8.428
  122    H3*    A  12           H3*        A  12  -2.202  17.726   5.447
  123    H2*    A  12           H2*        A  12   0.228  17.538   5.406
  124   2HO*    A  12          2HO*        A  12   0.390  18.663   7.474
  125    H1*    A  12           H1*        A  12   0.377  15.391   6.928
  126    H8     A  12           H8         A  12  -2.760  15.107   4.849
  127   1H6     A  12          1H6         A  12   1.008  12.603   0.620
  128   2H6     A  12          2H6         A  12  -0.689  12.854   1.036
  129    H2     A  12           H2         A  12   3.496  14.176   3.823
  130   1H5*    C  13          1H5*        C  13   1.151  19.925   7.054
  131   2H5*    C  13          2H5*        C  13   1.040  21.617   6.478
  132    H4*    C  13           H4*        C  13   3.287  20.796   6.110
  133    H3*    C  13           H3*        C  13   1.695  21.097   3.580
  134    H2*    C  13           H2*        C  13   3.713  20.401   2.457
  135   2HO*    C  13          2HO*        C  13   4.995  21.722   3.947
  136    H1*    C  13           H1*        C  13   4.461  18.449   4.118
  137   1H4     C  13          1H4         C  13   1.452  15.325  -0.328
  138   2H4     C  13          2H4         C  13  -0.133  15.655   0.385
  139    H5     C  13           H5         C  13  -0.388  17.165   2.284
  140    H6     C  13           H6         C  13   0.789  18.573   3.817
  141   1H5*    A  14          1H5*        A  14   5.517  22.743   2.612
  142   2H5*    A  14          2H5*        A  14   5.256  24.120   1.537
  143    H4*    A  14           H4*        A  14   6.507  22.278   0.424
  144    H3*    A  14           H3*        A  14   3.879  23.049  -0.724
  145    H2*    A  14           H2*        A  14   4.248  21.332  -2.398
  146   2HO*    A  14          2HO*        A  14   6.432  21.806  -2.722
  147    H1*    A  14           H1*        A  14   5.133  19.424  -0.782
  148    H8     A  14           H8         A  14   2.427  21.170   1.151
  149   1H6     A  14          1H6         A  14  -1.396  17.377  -1.853
  150   2H6     A  14          2H6         A  14  -1.237  18.556  -0.538
  151    H2     A  14           H2         A  14   2.548  17.027  -3.754
  152   1H5*    A  15          1H5*        A  15   5.724  23.708  -5.742
  153   2H5*    A  15          2H5*        A  15   4.171  23.659  -4.950
  154    H4*    A  15           H4*        A  15   5.797  21.223  -5.859
  155    H3*    A  15           H3*        A  15   4.372  22.756  -7.522
  156    H2*    A  15           H2*        A  15   2.641  23.107  -5.877
  157   2HO*    A  15          2HO*        A  15   1.827  21.479  -7.980
  158    H1*    A  15           H1*        A  15   2.354  20.080  -5.862
  159    H8     A  15           H8         A  15   2.932  22.694  -3.172
  160   1H6     A  15          1H6         A  15  -2.754  21.118  -1.161
  161   2H6     A  15          2H6         A  15  -1.324  22.099  -0.824
  162    H2     A  15           H2         A  15  -1.885  18.842  -4.812
  163   1H5*    U  16          1H5*        U  16   1.738  18.348  -7.831
  164   2H5*    U  16          2H5*        U  16   1.765  18.265  -9.592
  165    H4*    U  16           H4*        U  16  -0.479  17.828  -9.037
  166    H3*    U  16           H3*        U  16  -0.181  20.799  -9.629
  167    H2*    U  16           H2*        U  16  -2.313  21.192  -9.289
  168   2HO*    U  16          2HO*        U  16  -2.755  18.583 -10.262
  169    H1*    U  16           H1*        U  16  -2.802  18.945  -7.560
  170    H3     U  16           H3         U  16  -4.466  22.608  -5.319
  171    H5     U  16           H5         U  16  -0.390  23.496  -5.951
  172    H6     U  16           H6         U  16  -0.216  21.398  -7.048
  173   1H5*    U  17          1H5*        U  17   0.810  15.608 -12.443
  174   2H5*    U  17          2H5*        U  17  -0.475  15.412 -11.280
  175    H4*    U  17           H4*        U  17   2.410  15.862 -10.402
  176    H3*    U  17           H3*        U  17   1.356  13.493 -11.639
  177    H2*    U  17           H2*        U  17   0.843  12.080  -9.842
  178   2HO*    U  17          2HO*        U  17   2.947  12.132  -9.124
  179    H1*    U  17           H1*        U  17   0.341  13.785  -7.785
  180    H3     U  17           H3         U  17  -4.048  14.916  -8.724
  181    H5     U  17           H5         U  17  -2.746  12.793 -12.071
  182    H6     U  17           H6         U  17  -0.543  12.778 -11.194
  183   1H5*    U  18          1H5*        U  18   4.739  11.314  -8.803
  184   2H5*    U  18          2H5*        U  18   4.773  13.069  -8.795
  185    H4*    U  18           H4*        U  18   7.337  11.540  -9.273
  186    H3*    U  18           H3*        U  18   5.708  11.424  -6.881
  187    H2*    U  18           H2*        U  18   6.948  12.778  -5.378
  188   2HO*    U  18          2HO*        U  18   8.896  11.656  -5.869
  189    H1*    U  18           H1*        U  18   7.869  14.702  -7.013
  190    H3     U  18           H3         U  18   4.144  17.309  -7.761
  191    H5     U  18           H5         U  18   2.766  13.955  -5.646
  192    H6     U  18           H6         U  18   4.898  12.941  -5.872
  193   1H5*    G  19          1H5*        G  19   8.132   9.288  -2.972
  194   2H5*    G  19          2H5*        G  19   6.500   9.982  -3.114
  195    H4*    G  19           H4*        G  19   9.000  11.682  -2.800
  196    H3*    G  19           H3*        G  19   8.106  10.000  -0.763
  197    H2*    G  19           H2*        G  19   5.956  10.927  -0.566
  198   2HO*    G  19          2HO*        G  19   7.835  12.273   1.038
  199    H1*    G  19           H1*        G  19   7.053  13.672  -0.996
  200    H8     G  19           H8         G  19   4.791  14.571   0.124
  201    H1     G  19           H1         G  19   1.216  11.467  -4.218
  202   1H2     G  19          1H2         G  19   4.254  10.019  -5.119
  203   2H2     G  19          2H2         G  19   2.537  10.125  -5.475
  204   1H5*    A  20          1H5*        A  20   9.412   8.869   2.321
  205   2H5*    A  20          2H5*        A  20   8.017   9.587   1.513
  206    H4*    A  20           H4*        A  20   8.906  10.230   4.350
  207    H3*    A  20           H3*        A  20   6.734   8.349   3.348
  208    H2*    A  20           H2*        A  20   5.439   9.010   5.254
  209   2HO*    A  20          2HO*        A  20   7.358   9.202   6.629
  210    H1*    A  20           H1*        A  20   5.695  11.619   4.833
  211    H8     A  20           H8         A  20   6.056   9.990   1.463
  212   1H6     A  20          1H6         A  20  -0.139  10.013   1.295
  213   2H6     A  20          2H6         A  20   1.341   9.610   0.403
  214    H2     A  20           H2         A  20   1.110  11.211   5.350
  215   1H5*    U  21          1H5*        U  21   7.101   7.752   7.524
  216   2H5*    U  21          2H5*        U  21   6.886   6.046   7.957
  217    H4*    U  21           H4*        U  21   5.252   7.600   9.060
  218    H3*    U  21           H3*        U  21   4.154   5.431   7.251
  219    H2*    U  21           H2*        U  21   1.977   6.212   7.940
  220   2HO*    U  21          2HO*        U  21   2.649   6.576  10.124
  221    H1*    U  21           H1*        U  21   2.444   8.824   7.672
  222    H3     U  21           H3         U  21  -0.297   7.494   4.276
  223    H5     U  21           H5         U  21   3.592   6.847   2.853
  224    H6     U  21           H6         U  21   4.438   7.292   5.044
  225   1H5*    C  22          1H5*        C  22   1.846   5.389  10.875
  226   2H5*    C  22          2H5*        C  22   1.421   3.723  11.279
  227    H4*    C  22           H4*        C  22  -0.546   5.225  10.896
  228    H3*    C  22           H3*        C  22  -0.238   2.815   9.084
  229    H2*    C  22           H2*        C  22  -2.387   3.457   8.184
  230   2HO*    C  22          2HO*        C  22  -3.219   4.047  10.258
  231    H1*    C  22           H1*        C  22  -1.883   6.074   7.973
  232   1H4     C  22          1H4         C  22  -0.463   3.790   2.300
  233   2H4     C  22          2H4         C  22   1.206   3.518   2.788
  234    H5     C  22           H5         C  22   1.981   3.807   5.094
  235    H6     C  22           H6         C  22   1.305   4.445   7.312
  236   1H5*    A  23          1H5*        A  23  -4.333   2.870  10.783
  237   2H5*    A  23          2H5*        A  23  -4.733   1.193  11.202
  238    H4*    A  23           H4*        A  23  -6.404   2.266   9.687
  239    H3*    A  23           H3*        A  23  -4.908  -0.169   8.739
  240    H2*    A  23           H2*        A  23  -6.271  -0.057   6.715
  241   2HO*    A  23          2HO*        A  23  -8.137   0.645   8.041
  242    H1*    A  23           H1*        A  23  -5.983   2.579   6.311
  243    H8     A  23           H8         A  23  -2.657   1.604   7.712
  244   1H6     A  23          1H6         A  23  -1.298  -0.075   1.887
  245   2H6     A  23          2H6         A  23  -0.630   0.273   3.499
  246    H2     A  23           H2         A  23  -5.673   0.240   2.234
  247   1H5*    G  24          1H5*        G  24  -8.596  -0.924   7.249
  248   2H5*    G  24          2H5*        G  24  -9.198  -2.509   7.725
  249    H4*    G  24           H4*        G  24  -9.028  -2.141   5.248
  250    H3*    G  24           H3*        G  24  -7.584  -4.418   6.561
  251    H2*    G  24           H2*        G  24  -6.777  -5.089   4.403
  252   2HO*    G  24          2HO*        G  24  -8.681  -4.498   3.211
  253    H1*    G  24           H1*        G  24  -5.874  -2.687   3.635
  254    H8     G  24           H8         G  24  -5.067  -1.702   6.852
  255    H1     G  24           H1         G  24  -1.794  -7.084   5.684
  256   1H2     G  24          1H2         G  24  -2.577  -8.069   3.850
  257   2H2     G  24          2H2         G  24  -3.907  -7.335   2.968
  258   1H5*    U  25          1H5*        U  25 -11.177  -4.413   3.373
  259   2H5*    U  25          2H5*        U  25 -11.758  -6.067   3.096
  260    H4*    U  25           H4*        U  25 -11.685  -4.784   0.989
  261    H3*    U  25           H3*        U  25  -9.840  -7.131   1.263
  262    H2*    U  25           H2*        U  25  -8.927  -6.641  -0.892
  263   2HO*    U  25          2HO*        U  25 -10.942  -6.281  -1.874
  264    H1*    U  25           H1*        U  25  -8.930  -3.920  -0.717
  265    H3     U  25           H3         U  25  -4.515  -3.813   0.034
  266    H5     U  25           H5         U  25  -5.750  -7.045   2.381
  267    H6     U  25           H6         U  25  -8.020  -6.603   1.738
  268   1H5*    A  26          1H5*        A  26 -10.058  -9.885  -2.785
  269   2H5*    A  26          2H5*        A  26  -8.968  -8.997  -1.728
  270    H4*    A  26           H4*        A  26  -9.931  -7.935  -4.415
  271    H3*    A  26           H3*        A  26  -7.532  -9.591  -3.643
  272    H2*    A  26           H2*        A  26  -6.205  -8.329  -5.233
  273   2HO*    A  26          2HO*        A  26  -7.993  -8.190  -6.747
  274    H1*    A  26           H1*        A  26  -7.016  -5.934  -4.404
  275    H8     A  26           H8         A  26  -7.223  -8.007  -1.304
  276   1H6     A  26          1H6         A  26  -1.135  -6.905  -0.695
  277   2H6     A  26          2H6         A  26  -2.585  -7.501   0.103
  278    H2     A  26           H2         A  26  -2.285  -5.816  -4.788
  279   1H5*    U  27          1H5*        U  27  -7.192  -9.518  -7.735
  280   2H5*    U  27          2H5*        U  27  -6.871 -11.141  -8.379
  281    H4*    U  27           H4*        U  27  -5.090  -9.592  -9.020
  282    H3*    U  27           H3*        U  27  -4.222 -11.713  -7.031
  283    H2*    U  27           H2*        U  27  -2.003 -10.851  -7.349
  284   2HO*    U  27          2HO*        U  27  -2.319 -10.479  -9.608
  285    H1*    U  27           H1*        U  27  -2.671  -8.272  -7.065
  286    H3     U  27           H3         U  27  -0.659  -9.737  -3.240
  287    H5     U  27           H5         U  27  -4.718 -10.578  -2.693
  288    H6     U  27           H6         U  27  -5.087  -9.993  -5.004
  289   1H5*    A  28          1H5*        A  28  -1.457 -12.034 -10.265
  290   2H5*    A  28          2H5*        A  28  -1.237 -13.747 -10.663
  291    H4*    A  28           H4*        A  28   0.917 -12.748 -10.281
  292    H3*    A  28           H3*        A  28   0.130 -14.647  -8.038
  293    H2*    A  28           H2*        A  28   2.338 -14.228  -7.182
  294   2HO*    A  28          2HO*        A  28   3.244 -14.142  -9.381
  295    H1*    A  28           H1*        A  28   2.233 -11.569  -7.408
  296    H8     A  28           H8         A  28  -1.315 -12.557  -6.674
  297   1H6     A  28          1H6         A  28   0.447 -12.598  -0.718
  298   2H6     A  28          2H6         A  28  -0.902 -12.639  -1.829
  299    H2     A  28           H2         A  28   4.103 -12.497  -3.196
  300   1H5*    U  29          1H5*        U  29   4.019 -15.622  -9.205
  301   2H5*    U  29          2H5*        U  29   4.301 -17.364  -9.221
  302    H4*    U  29           H4*        U  29   5.882 -16.197  -7.750
  303    H3*    U  29           H3*        U  29   3.952 -18.021  -6.247
  304    H2*    U  29           H2*        U  29   5.342 -17.480  -4.335
  305   2HO*    U  29          2HO*        U  29   7.302 -17.455  -5.541
  306    H1*    U  29           H1*        U  29   5.319 -14.845  -4.734
  307    H3     U  29           H3         U  29   2.417 -15.864  -1.348
  308    H5     U  29           H5         U  29   0.135 -16.138  -4.845
  309    H6     U  29           H6         U  29   2.137 -15.914  -6.143
  310   1H5*    C  30          1H5*        C  30   7.872 -18.871  -5.063
  311   2H5*    C  30          2H5*        C  30   8.147 -20.601  -4.847
  312    H4*    C  30           H4*        C  30   8.683 -19.330  -2.813
  313    H3*    C  30           H3*        C  30   6.284 -21.197  -2.508
  314    H2*    C  30           H2*        C  30   6.427 -20.582  -0.164
  315   2HO*    C  30          2HO*        C  30   8.810 -20.441  -0.332
  316    H1*    C  30           H1*        C  30   6.510 -17.946  -0.615
  317   1H4     C  30          1H4         C  30   0.379 -19.247  -0.373
  318   2H4     C  30          2H4         C  30   0.300 -19.361  -2.134
  319    H5     C  30           H5         C  30   2.280 -19.371  -3.522
  320    H6     C  30           H6         C  30   4.662 -19.139  -3.507
  321   1H5*    C  31          1H5*        C  31   8.868 -21.827   0.700
  322   2H5*    C  31          2H5*        C  31   9.216 -23.553   0.876
  323    H4*    C  31           H4*        C  31   8.429 -22.678   3.007
  324    H3*    C  31           H3*        C  31   6.398 -24.428   1.567
  325    H2*    C  31           H2*        C  31   5.095 -24.309   3.577
  326   2HO*    C  31          2HO*        C  31   7.046 -24.395   4.945
  327    H1*    C  31           H1*        C  31   5.372 -21.614   3.856
  328   1H4     C  31          1H4         C  31   0.149 -22.491   0.480
  329   2H4     C  31          2H4         C  31   1.059 -22.404  -1.040
  330    H5     C  31           H5         C  31   3.471 -22.321  -1.105
  331    H6     C  31           H6         C  31   5.450 -22.244   0.237
  332    H3T    C  31           H3T        C  31   8.314 -25.466   2.179
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  -6.000 -23.592   7.972
    2   2H5*    G   1          2H5*        G   1  -5.834 -21.905   8.502
    3    H4*    G   1           H4*        G   1  -3.979 -23.155   9.395
    4    H3*    G   1           H3*        G   1  -3.193 -21.366   7.080
    5    H2*    G   1           H2*        G   1  -0.915 -21.961   7.575
    6   2HO*    G   1          2HO*        G   1  -1.223 -21.998   9.872
    7    H1*    G   1           H1*        G   1  -1.381 -24.580   7.672
    8    H8     G   1           H8         G   1  -3.948 -23.581   5.182
    9    H1     G   1           H1         G   1   2.041 -23.199   2.883
   10   1H2     G   1          1H2         G   1   3.468 -23.343   4.575
   11   2H2     G   1          2H2         G   1   2.896 -23.546   6.221
   12    H5T    G   1           H5T        G   1  -5.001 -21.388   6.454
   13   1H5*    G   2          1H5*        G   2  -0.631 -20.349  10.241
   14   2H5*    G   2          2H5*        G   2  -0.490 -18.590  10.390
   15    H4*    G   2           H4*        G   2   1.712 -19.646  10.207
   16    H3*    G   2           H3*        G   2   0.932 -17.905   7.844
   17    H2*    G   2           H2*        G   2   3.176 -18.320   7.036
   18   2HO*    G   2          2HO*        G   2   4.072 -18.245   9.191
   19    H1*    G   2           H1*        G   2   3.112 -20.965   7.412
   20    H8     G   2           H8         G   2  -0.442 -20.275   6.548
   21    H1     G   2           H1         G   2   3.532 -19.641   1.534
   22   1H2     G   2          1H2         G   2   5.623 -19.647   2.259
   23   2H2     G   2          2H2         G   2   5.986 -19.856   3.977
   24   1H5*    A   3          1H5*        A   3   4.840 -16.736   9.039
   25   2H5*    A   3          2H5*        A   3   4.970 -14.975   9.155
   26    H4*    A   3           H4*        A   3   6.742 -15.880   7.748
   27    H3*    A   3           H3*        A   3   4.688 -14.223   6.254
   28    H2*    A   3           H2*        A   3   6.139 -14.527   4.323
   29   2HO*    A   3          2HO*        A   3   8.081 -14.379   5.606
   30    H1*    A   3           H1*        A   3   6.417 -17.158   4.602
   31    H8     A   3           H8         A   3   2.973 -16.684   5.950
   32   1H6     A   3          1H6         A   3   1.084 -16.423   0.054
   33   2H6     A   3          2H6         A   3   0.614 -16.598   1.741
   34    H2     A   3           H2         A   3   5.493 -15.897   0.091
   35   1H5*    U   4          1H5*        U   4   8.521 -12.915   5.073
   36   2H5*    U   4          2H5*        U   4   8.626 -11.153   4.993
   37    H4*    U   4           H4*        U   4   9.259 -12.214   2.853
   38    H3*    U   4           H3*        U   4   6.715 -10.532   2.750
   39    H2*    U   4           H2*        U   4   6.786 -10.957   0.369
   40   2HO*    U   4          2HO*        U   4   9.111 -10.866   0.292
   41    H1*    U   4           H1*        U   4   7.151 -13.600   0.594
   42    H3     U   4           H3         U   4   2.786 -12.601  -0.459
   43    H5     U   4           H5         U   4   2.900 -12.794   3.715
   44    H6     U   4           H6         U   4   5.286 -12.905   3.607
   45   1H5*    A   5          1H5*        A   5   9.163  -9.425  -0.472
   46   2H5*    A   5          2H5*        A   5   9.254  -7.672  -0.638
   47    H4*    A   5           H4*        A   5   8.612  -8.725  -2.738
   48    H3*    A   5           H3*        A   5   6.438  -6.985  -1.514
   49    H2*    A   5           H2*        A   5   5.127  -7.430  -3.388
   50   2HO*    A   5          2HO*        A   5   6.880  -7.246  -4.895
   51    H1*    A   5           H1*        A   5   5.607 -10.075  -3.535
   52    H8     A   5           H8         A   5   5.618  -9.380   0.146
   53   1H6     A   5          1H6         A   5  -0.525 -10.052  -0.226
   54   2H6     A   5          2H6         A   5   0.875  -9.978   0.850
   55    H2     A   5           H2         A   5   1.004  -9.445  -4.330
   56   1H5*    U   6          1H5*        U   6   5.565  -3.207  -4.702
   57   2H5*    U   6          2H5*        U   6   4.724  -4.173  -3.496
   58    H4*    U   6           H4*        U   6   4.779  -4.708  -6.500
   59    H3*    U   6           H3*        U   6   2.860  -3.514  -4.527
   60    H2*    U   6           H2*        U   6   0.995  -4.527  -5.674
   61   2HO*    U   6          2HO*        U   6   1.996  -4.230  -7.783
   62    H1*    U   6           H1*        U   6   2.052  -6.971  -5.759
   63    H3     U   6           H3         U   6  -0.887  -6.459  -2.214
   64    H5     U   6           H5         U   6   2.989  -6.007  -0.660
   65    H6     U   6           H6         U   6   3.864  -5.943  -2.890
   66   1H5*    A   7          1H5*        A   7   0.742  -2.872  -8.042
   67   2H5*    A   7          2H5*        A   7   0.216  -1.178  -8.124
   68    H4*    A   7           H4*        A   7  -1.699  -2.739  -8.188
   69    H3*    A   7           H3*        A   7  -1.500  -0.932  -5.745
   70    H2*    A   7           H2*        A   7  -3.589  -1.850  -5.057
   71   2HO*    A   7          2HO*        A   7  -4.368  -1.914  -7.298
   72    H1*    A   7           H1*        A   7  -2.979  -4.422  -5.529
   73    H8     A   7           H8         A   7   0.295  -3.013  -4.418
   74   1H6     A   7          1H6         A   7  -1.901  -3.407   1.385
   75   2H6     A   7          2H6         A   7  -0.512  -3.114   0.367
   76    H2     A   7           H2         A   7  -5.255  -4.213  -1.469
   77   1H5*    U   8          1H5*        U   8  -5.532  -0.713  -6.973
   78   2H5*    U   8          2H5*        U   8  -5.978   0.994  -7.063
   79    H4*    U   8           H4*        U   8  -7.492  -0.290  -5.595
   80    H3*    U   8           H3*        U   8  -5.710   1.683  -4.164
   81    H2*    U   8           H2*        U   8  -7.261   1.359  -2.301
   82   2HO*    U   8          2HO*        U   8  -9.171   0.864  -3.623
   83    H1*    U   8           H1*        U   8  -6.929  -1.277  -2.447
   84    H3     U   8           H3         U   8  -4.358   0.689   0.877
   85    H5     U   8           H5         U   8  -1.856   0.235  -2.472
   86    H6     U   8           H6         U   8  -3.781  -0.293  -3.808
   87   1H5*    G   9          1H5*        G   9  -9.806   4.626  -3.709
   88   2H5*    G   9          2H5*        G   9  -8.290   3.974  -3.127
   89    H4*    G   9           H4*        G   9 -11.004   3.493  -1.824
   90    H3*    G   9           H3*        G   9  -8.792   5.494  -1.352
   91    H2*    G   9           H2*        G   9  -9.120   5.281   1.031
   92   2HO*    G   9          2HO*        G   9 -11.467   5.047   0.728
   93    H1*    G   9           H1*        G   9  -9.089   2.625   1.085
   94    H8     G   9           H8         G   9  -6.872   3.218  -1.870
   95    H1     G   9           H1         G   9  -4.067   4.769   3.696
   96   1H2     G   9          1H2         G   9  -5.587   4.923   5.285
   97   2H2     G   9          2H2         G   9  -7.263   4.541   4.950
   98   1H5*    A  10          1H5*        A  10 -11.684   6.562   1.568
   99   2H5*    A  10          2H5*        A  10 -12.043   8.283   1.353
  100    H4*    A  10           H4*        A  10 -11.411   7.789   3.673
  101    H3*    A  10           H3*        A  10  -9.491   9.567   2.093
  102    H2*    A  10           H2*        A  10  -8.207   9.796   4.006
  103   2HO*    A  10          2HO*        A  10  -9.968  10.075   5.455
  104    H1*    A  10           H1*        A  10  -8.309   7.232   4.855
  105    H8     A  10           H8         A  10  -8.098   7.049   1.127
  106   1H6     A  10          1H6         A  10  -1.969   7.532   1.953
  107   2H6     A  10          2H6         A  10  -3.256   7.178   0.824
  108    H2     A  10           H2         A  10  -3.938   8.570   5.778
  109   1H5*    U  11          1H5*        U  11  -9.268  14.003   4.113
  110   2H5*    U  11          2H5*        U  11  -8.292  12.843   3.220
  111    H4*    U  11           H4*        U  11  -8.283  13.226   6.244
  112    H3*    U  11           H3*        U  11  -6.553  14.097   3.938
  113    H2*    U  11           H2*        U  11  -4.580  13.795   5.293
  114   2HO*    U  11          2HO*        U  11  -5.681  14.535   7.237
  115    H1*    U  11           H1*        U  11  -5.222  11.353   6.159
  116    H3     U  11           H3         U  11  -2.257  11.156   2.622
  117    H5     U  11           H5         U  11  -6.100  10.602   1.000
  118    H6     U  11           H6         U  11  -7.047  11.213   3.111
  119   1H5*    A  12          1H5*        A  12  -4.887  16.067   7.311
  120   2H5*    A  12          2H5*        A  12  -4.680  17.778   6.904
  121    H4*    A  12           H4*        A  12  -2.565  16.778   7.663
  122    H3*    A  12           H3*        A  12  -2.696  17.602   4.747
  123    H2*    A  12           H2*        A  12  -0.308  17.113   4.752
  124   2HO*    A  12          2HO*        A  12  -0.055  17.965   6.920
  125    H1*    A  12           H1*        A  12  -0.486  14.828   5.999
  126    H8     A  12           H8         A  12  -3.553  14.880   3.849
  127   1H6     A  12          1H6         A  12   0.264  12.774  -0.600
  128   2H6     A  12          2H6         A  12  -1.438  13.007  -0.155
  129    H2     A  12           H2         A  12   2.722  14.150   2.760
  130   1H5*    C  13          1H5*        C  13   0.853  19.147   6.628
  131   2H5*    C  13          2H5*        C  13   1.057  20.866   6.191
  132    H4*    C  13           H4*        C  13   3.142  19.649   5.822
  133    H3*    C  13           H3*        C  13   1.804  20.482   3.285
  134    H2*    C  13           H2*        C  13   3.810  19.582   2.244
  135   2HO*    C  13          2HO*        C  13   5.159  20.452   3.937
  136    H1*    C  13           H1*        C  13   4.000  17.340   3.716
  137   1H4     C  13          1H4         C  13   0.881  15.745  -1.494
  138   2H4     C  13          2H4         C  13  -0.669  16.128  -0.747
  139    H5     C  13           H5         C  13  -0.812  17.143   1.487
  140    H6     C  13           H6         C  13   0.440  18.030   3.279
  141   1H5*    A  14          1H5*        A  14   5.945  21.586   2.970
  142   2H5*    A  14          2H5*        A  14   6.065  23.083   2.045
  143    H4*    A  14           H4*        A  14   7.217  21.120   0.945
  144    H3*    A  14           H3*        A  14   4.953  22.321  -0.588
  145    H2*    A  14           H2*        A  14   5.799  20.874  -2.359
  146   2HO*    A  14          2HO*        A  14   8.022  20.961  -1.862
  147    H1*    A  14           H1*        A  14   5.699  18.676  -0.810
  148    H8     A  14           H8         A  14   2.908  20.490   0.794
  149   1H6     A  14          1H6         A  14  -0.359  19.516  -4.446
  150   2H6     A  14          2H6         A  14  -0.476  19.940  -2.715
  151    H2     A  14           H2         A  14   3.851  18.741  -5.334
  152   1H5*    A  15          1H5*        A  15   7.447  25.174  -4.116
  153   2H5*    A  15          2H5*        A  15   6.062  25.791  -3.205
  154    H4*    A  15           H4*        A  15   5.632  25.809  -5.611
  155    H3*    A  15           H3*        A  15   3.767  24.917  -3.867
  156    H2*    A  15           H2*        A  15   4.589  22.629  -3.920
  157   2HO*    A  15          2HO*        A  15   2.223  22.927  -4.658
  158    H1*    A  15           H1*        A  15   4.542  22.925  -6.856
  159    H8     A  15           H8         A  15   6.507  21.422  -4.111
  160   1H6     A  15          1H6         A  15   6.684  16.294  -7.629
  161   2H6     A  15          2H6         A  15   7.153  16.987  -6.100
  162    H2     A  15           H2         A  15   5.026  19.646 -10.032
  163   1H5*    U  16          1H5*        U  16  -0.520  24.011  -7.386
  164   2H5*    U  16          2H5*        U  16  -0.039  22.858  -6.119
  165    H4*    U  16           H4*        U  16  -0.788  21.640  -8.026
  166    H3*    U  16           H3*        U  16   2.090  21.596  -7.333
  167    H2*    U  16           H2*        U  16   2.922  20.694  -9.311
  168   2HO*    U  16          2HO*        U  16   0.356  19.655  -9.590
  169    H1*    U  16           H1*        U  16   1.325  21.948 -11.085
  170    H3     U  16           H3         U  16   3.264  26.070 -11.357
  171    H5     U  16           H5         U  16   5.322  24.103  -8.285
  172    H6     U  16           H6         U  16   3.628  22.396  -8.309
  173   1H5*    U  17          1H5*        U  17   2.142  17.653  -7.422
  174   2H5*    U  17          2H5*        U  17   1.228  17.428  -8.907
  175    H4*    U  17           H4*        U  17   1.012  15.345  -6.719
  176    H3*    U  17           H3*        U  17   3.475  16.026  -8.092
  177    H2*    U  17           H2*        U  17   3.717  14.150  -9.549
  178   2HO*    U  17          2HO*        U  17   3.140  12.658  -7.761
  179    H1*    U  17           H1*        U  17   1.192  13.781 -10.316
  180    H3     U  17           H3         U  17   0.260  17.505 -12.915
  181    H5     U  17           H5         U  17   4.152  18.042 -11.477
  182    H6     U  17           H6         U  17   3.873  16.167 -10.060
  183   1H5*    U  18          1H5*        U  18   6.479  12.224  -7.947
  184   2H5*    U  18          2H5*        U  18   4.972  12.313  -8.799
  185    H4*    U  18           H4*        U  18   5.513  10.126  -6.797
  186    H3*    U  18           H3*        U  18   6.753  10.514  -9.406
  187    H2*    U  18           H2*        U  18   5.678   9.021 -10.792
  188   2HO*    U  18          2HO*        U  18   5.445   7.475  -8.445
  189    H1*    U  18           H1*        U  18   3.258   8.702  -9.581
  190    H3     U  18           H3         U  18   0.985  11.825 -11.928
  191    H5     U  18           H5         U  18   4.966  13.136 -12.160
  192    H6     U  18           H6         U  18   5.583  11.376 -10.720
  193   1H5*    G  19          1H5*        G  19   7.730   8.037  -4.079
  194   2H5*    G  19          2H5*        G  19   6.046   8.411  -4.440
  195    H4*    G  19           H4*        G  19   8.172  10.418  -3.587
  196    H3*    G  19           H3*        G  19   5.806   9.175  -2.145
  197    H2*    G  19           H2*        G  19   5.797  11.206  -0.809
  198   2HO*    G  19          2HO*        G  19   8.153  11.325  -0.843
  199    H1*    G  19           H1*        G  19   5.949  12.840  -2.983
  200    H8     G  19           H8         G  19   3.689  13.151  -1.448
  201    H1     G  19           H1         G  19   1.003   8.275  -4.648
  202   1H2     G  19          1H2         G  19   2.581   7.202  -5.864
  203   2H2     G  19          2H2         G  19   4.239   7.790  -5.883
  204   1H5*    A  20          1H5*        A  20   8.212  10.642   1.278
  205   2H5*    A  20          2H5*        A  20   8.303   9.203   2.320
  206    H4*    A  20           H4*        A  20   7.463  11.100   3.607
  207    H3*    A  20           H3*        A  20   5.330   9.063   2.946
  208    H2*    A  20           H2*        A  20   3.988  10.224   4.607
  209   2HO*    A  20          2HO*        A  20   5.781  10.979   5.962
  210    H1*    A  20           H1*        A  20   4.361  12.520   3.345
  211    H8     A  20           H8         A  20   4.692  10.178   0.468
  212   1H6     A  20          1H6         A  20  -1.502   9.714   0.638
  213   2H6     A  20          2H6         A  20  -0.061   9.369  -0.315
  214    H2     A  20           H2         A  20  -0.179  11.555   4.418
  215   1H5*    U  21          1H5*        U  21   5.366   7.656   7.827
  216   2H5*    U  21          2H5*        U  21   4.660   7.828   6.232
  217    H4*    U  21           H4*        U  21   3.916   9.533   8.646
  218    H3*    U  21           H3*        U  21   2.667   7.023   7.478
  219    H2*    U  21           H2*        U  21   0.507   7.953   7.974
  220   2HO*    U  21          2HO*        U  21   1.350   8.932   9.978
  221    H1*    U  21           H1*        U  21   0.972  10.380   6.959
  222    H3     U  21           H3         U  21  -1.567   7.906   4.061
  223    H5     U  21           H5         U  21   2.429   7.334   2.864
  224    H6     U  21           H6         U  21   3.153   8.434   4.904
  225   1H5*    C  22          1H5*        C  22   0.250   7.899  10.782
  226   2H5*    C  22          2H5*        C  22  -0.017   6.429  11.716
  227    H4*    C  22           H4*        C  22  -2.134   7.499  10.962
  228    H3*    C  22           H3*        C  22  -1.529   4.724   9.896
  229    H2*    C  22           H2*        C  22  -3.695   4.762   8.920
  230   2HO*    C  22          2HO*        C  22  -4.785   5.744  10.642
  231    H1*    C  22           H1*        C  22  -3.574   7.263   7.999
  232   1H4     C  22          1H4         C  22  -1.783   4.135   2.928
  233   2H4     C  22          2H4         C  22  -0.102   4.224   3.420
  234    H5     C  22           H5         C  22   0.597   5.060   5.612
  235    H6     C  22           H6         C  22  -0.184   6.049   7.656
  236   1H5*    A  23          1H5*        A  23  -3.896   1.113  11.497
  237   2H5*    A  23          2H5*        A  23  -3.360   1.144   9.824
  238    H4*    A  23           H4*        A  23  -5.976   2.169  10.990
  239    H3*    A  23           H3*        A  23  -4.936   0.167   9.030
  240    H2*    A  23           H2*        A  23  -6.773   0.444   7.528
  241   2HO*    A  23          2HO*        A  23  -8.334   0.713   9.279
  242    H1*    A  23           H1*        A  23  -6.668   3.087   7.432
  243    H8     A  23           H8         A  23  -3.190   2.690   8.356
  244   1H6     A  23          1H6         A  23  -1.979   0.782   2.589
  245   2H6     A  23          2H6         A  23  -1.298   1.273   4.148
  246    H2     A  23           H2         A  23  -6.369   0.805   3.111
  247   1H5*    G  24          1H5*        G  24  -8.972  -0.956   9.252
  248   2H5*    G  24          2H5*        G  24  -9.147  -2.714   9.424
  249    H4*    G  24           H4*        G  24 -10.198  -1.849   7.339
  250    H3*    G  24           H3*        G  24  -7.726  -3.541   6.951
  251    H2*    G  24           H2*        G  24  -8.317  -3.609   4.606
  252   2HO*    G  24          2HO*        G  24 -10.671  -3.451   4.917
  253    H1*    G  24           H1*        G  24  -8.492  -0.927   4.529
  254    H8     G  24           H8         G  24  -5.910  -1.362   7.185
  255    H1     G  24           H1         G  24  -3.778  -2.875   1.324
  256   1H2     G  24          1H2         G  24  -5.441  -2.861  -0.072
  257   2H2     G  24          2H2         G  24  -7.077  -2.483   0.453
  258   1H5*    U  25          1H5*        U  25 -11.317  -7.043   5.058
  259   2H5*    U  25          2H5*        U  25  -9.664  -6.430   5.220
  260    H4*    U  25           H4*        U  25 -11.510  -5.917   2.840
  261    H3*    U  25           H3*        U  25  -9.188  -7.819   3.261
  262    H2*    U  25           H2*        U  25  -8.701  -7.538   0.916
  263   2HO*    U  25          2HO*        U  25 -10.858  -7.476   0.183
  264    H1*    U  25           H1*        U  25  -8.890  -4.843   0.956
  265    H3     U  25           H3         U  25  -4.445  -5.885   0.874
  266    H5     U  25           H5         U  25  -5.502  -6.238   4.898
  267    H6     U  25           H6         U  25  -7.828  -5.886   4.282
  268   1H5*    A  26          1H5*        A  26 -10.304 -11.093  -0.917
  269   2H5*    A  26          2H5*        A  26  -8.835 -10.384  -0.266
  270    H4*    A  26           H4*        A  26 -10.537  -9.235  -2.517
  271    H3*    A  26           H3*        A  26  -7.963 -10.768  -2.305
  272    H2*    A  26           H2*        A  26  -6.889  -9.401  -3.931
  273   2HO*    A  26          2HO*        A  26  -8.909  -9.310  -5.216
  274    H1*    A  26           H1*        A  26  -7.703  -7.039  -3.026
  275    H8     A  26           H8         A  26  -7.435  -9.031   0.114
  276   1H6     A  26          1H6         A  26  -1.409  -7.566   0.005
  277   2H6     A  26          2H6         A  26  -2.721  -8.236   0.966
  278    H2     A  26           H2         A  26  -3.104  -6.615  -3.964
  279   1H5*    U  27          1H5*        U  27  -8.144 -10.465  -6.308
  280   2H5*    U  27          2H5*        U  27  -7.843 -12.020  -7.093
  281    H4*    U  27           H4*        U  27  -6.170 -10.416  -7.795
  282    H3*    U  27           H3*        U  27  -5.013 -12.520  -5.919
  283    H2*    U  27           H2*        U  27  -2.890 -11.537  -6.522
  284   2HO*    U  27          2HO*        U  27  -3.521 -11.191  -8.722
  285    H1*    U  27           H1*        U  27  -3.692  -8.988  -6.157
  286    H3     U  27           H3         U  27  -1.079 -10.152  -2.584
  287    H5     U  27           H5         U  27  -4.913 -11.552  -1.613
  288    H6     U  27           H6         U  27  -5.639 -11.014  -3.852
  289   1H5*    A  28          1H5*        A  28  -2.663 -12.491  -9.435
  290   2H5*    A  28          2H5*        A  28  -2.241 -14.142  -9.910
  291    H4*    A  28           H4*        A  28  -0.234 -12.777  -9.709
  292    H3*    A  28           H3*        A  28  -0.457 -14.904  -7.537
  293    H2*    A  28           H2*        A  28   1.748 -14.190  -6.904
  294   2HO*    A  28          2HO*        A  28   2.393 -13.862  -9.141
  295    H1*    A  28           H1*        A  28   1.206 -11.569  -6.936
  296    H8     A  28           H8         A  28  -2.026 -13.143  -5.842
  297   1H6     A  28          1H6         A  28   0.499 -13.115  -0.157
  298   2H6     A  28          2H6         A  28  -0.991 -13.223  -1.075
  299    H2     A  28           H2         A  28   3.747 -12.480  -3.097
  300   1H5*    U  29          1H5*        U  29   3.340 -15.229  -9.227
  301   2H5*    U  29          2H5*        U  29   3.850 -16.910  -9.397
  302    H4*    U  29           H4*        U  29   5.441 -15.613  -8.057
  303    H3*    U  29           H3*        U  29   3.968 -17.744  -6.435
  304    H2*    U  29           H2*        U  29   5.556 -17.130  -4.708
  305   2HO*    U  29          2HO*        U  29   7.267 -16.766  -6.296
  306    H1*    U  29           H1*        U  29   5.138 -14.488  -4.937
  307    H3     U  29           H3         U  29   2.933 -16.087  -1.268
  308    H5     U  29           H5         U  29   0.209 -16.504  -4.423
  309    H6     U  29           H6         U  29   1.951 -15.921  -5.968
  310   1H5*    C  30          1H5*        C  30   8.051 -18.188  -5.755
  311   2H5*    C  30          2H5*        C  30   8.540 -19.886  -5.767
  312    H4*    C  30           H4*        C  30   9.217 -18.758  -3.690
  313    H3*    C  30           H3*        C  30   7.092 -20.926  -3.295
  314    H2*    C  30           H2*        C  30   7.453 -20.522  -0.948
  315   2HO*    C  30          2HO*        C  30   9.774 -20.094  -1.372
  316    H1*    C  30           H1*        C  30   7.281 -17.846  -1.111
  317   1H4     C  30          1H4         C  30   1.356 -19.665  -0.192
  318   2H4     C  30          2H4         C  30   1.014 -19.529  -1.924
  319    H5     C  30           H5         C  30   2.795 -19.263  -3.571
  320    H6     C  30           H6         C  30   5.135 -18.863  -3.849
  321   1H5*    C  31          1H5*        C  31  10.001 -21.539  -0.449
  322   2H5*    C  31          2H5*        C  31  10.561 -23.211  -0.477
  323    H4*    C  31           H4*        C  31   9.874 -22.656   1.785
  324    H3*    C  31           H3*        C  31   7.889 -24.460   0.337
  325    H2*    C  31           H2*        C  31   6.823 -24.702   2.479
  326   2HO*    C  31          2HO*        C  31   8.896 -24.717   3.637
  327    H1*    C  31           H1*        C  31   6.906 -22.036   3.046
  328   1H4     C  31          1H4         C  31   1.324 -23.045   0.378
  329   2H4     C  31          2H4         C  31   1.985 -22.736  -1.235
  330    H5     C  31           H5         C  31   4.371 -22.419  -1.636
  331    H6     C  31           H6         C  31   6.525 -22.265  -0.598
  332    H3T    C  31           H3T        C  31   9.958 -25.349   0.631
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  -3.645 -23.868   6.800
    2   2H5*    G   1          2H5*        G   1  -4.044 -25.187   7.929
    3    H4*    G   1           H4*        G   1  -2.103 -24.475   9.362
    4    H3*    G   1           H3*        G   1  -1.733 -22.496   7.093
    5    H2*    G   1           H2*        G   1   0.659 -22.718   7.435
    6   2HO*    G   1          2HO*        G   1   0.481 -22.903   9.741
    7    H1*    G   1           H1*        G   1   0.656 -25.369   7.427
    8    H8     G   1           H8         G   1  -2.224 -24.748   5.173
    9    H1     G   1           H1         G   1   3.409 -23.215   2.492
   10   1H2     G   1          1H2         G   1   4.959 -23.168   4.076
   11   2H2     G   1          2H2         G   1   4.561 -23.555   5.735
   12    H5T    G   1           H5T        G   1  -3.867 -22.426   8.640
   13   1H5*    G   2          1H5*        G   2   0.923 -21.331  10.114
   14   2H5*    G   2          2H5*        G   2   0.870 -19.586  10.381
   15    H4*    G   2           H4*        G   2   3.156 -20.360   9.939
   16    H3*    G   2           H3*        G   2   1.954 -18.562   7.809
   17    H2*    G   2           H2*        G   2   4.171 -18.644   6.781
   18   2HO*    G   2          2HO*        G   2   5.233 -18.643   8.856
   19    H1*    G   2           H1*        G   2   4.424 -21.282   6.918
   20    H8     G   2           H8         G   2   0.756 -20.957   6.432
   21    H1     G   2           H1         G   2   4.133 -19.528   1.148
   22   1H2     G   2          1H2         G   2   6.250 -19.252   1.695
   23   2H2     G   2          2H2         G   2   6.795 -19.533   3.344
   24   1H5*    A   3          1H5*        A   3   5.849 -17.139   8.789
   25   2H5*    A   3          2H5*        A   3   5.877 -15.388   8.962
   26    H4*    A   3           H4*        A   3   7.560 -16.167   7.351
   27    H3*    A   3           H3*        A   3   5.311 -14.479   6.177
   28    H2*    A   3           H2*        A   3   6.523 -14.629   4.098
   29   2HO*    A   3          2HO*        A   3   8.604 -14.541   5.230
   30    H1*    A   3           H1*        A   3   6.922 -17.254   4.172
   31    H8     A   3           H8         A   3   3.630 -16.964   5.886
   32   1H6     A   3          1H6         A   3   1.164 -16.417   0.241
   33   2H6     A   3          2H6         A   3   0.862 -16.652   1.965
   34    H2     A   3           H2         A   3   5.542 -15.896  -0.148
   35   1H5*    U   4          1H5*        U   4   8.925 -13.040   4.637
   36   2H5*    U   4          2H5*        U   4   9.006 -11.287   4.644
   37    H4*    U   4           H4*        U   4   9.363 -12.213   2.388
   38    H3*    U   4           H3*        U   4   6.813 -10.578   2.725
   39    H2*    U   4           H2*        U   4   6.583 -10.860   0.322
   40   2HO*    U   4          2HO*        U   4   8.864 -10.694  -0.034
   41    H1*    U   4           H1*        U   4   7.060 -13.496   0.316
   42    H3     U   4           H3         U   4   2.584 -12.650  -0.243
   43    H5     U   4           H5         U   4   3.150 -13.018   3.899
   44    H6     U   4           H6         U   4   5.509 -13.016   3.550
   45   1H5*    A   5          1H5*        A   5   8.844  -9.210  -0.704
   46   2H5*    A   5          2H5*        A   5   8.808  -7.456  -0.833
   47    H4*    A   5           H4*        A   5   7.937  -8.527  -2.856
   48    H3*    A   5           H3*        A   5   5.844  -6.939  -1.285
   49    H2*    A   5           H2*        A   5   4.386  -7.448  -3.125
   50   2HO*    A   5          2HO*        A   5   6.031  -7.206  -4.714
   51    H1*    A   5           H1*        A   5   4.942 -10.046  -3.236
   52    H8     A   5           H8         A   5   5.319  -9.337   0.409
   53   1H6     A   5          1H6         A   5  -0.870  -9.813   0.661
   54   2H6     A   5          2H6         A   5   0.634  -9.745   1.611
   55    H2     A   5           H2         A   5   0.281  -9.400  -3.566
   56   1H5*    U   6          1H5*        U   6   5.655  -5.656  -5.396
   57   2H5*    U   6          2H5*        U   6   5.376  -3.910  -5.420
   58    H4*    U   6           H4*        U   6   3.615  -5.201  -6.614
   59    H3*    U   6           H3*        U   6   2.723  -3.643  -4.152
   60    H2*    U   6           H2*        U   6   0.490  -4.276  -4.864
   61   2HO*    U   6          2HO*        U   6   0.923  -4.017  -7.089
   62    H1*    U   6           H1*        U   6   1.069  -6.860  -5.293
   63    H3     U   6           H3         U   6  -1.360  -6.450  -1.473
   64    H5     U   6           H5         U   6   2.622  -5.942  -0.248
   65    H6     U   6           H6         U   6   3.297  -5.903  -2.557
   66   1H5*    A   7          1H5*        A   7   0.117  -2.551  -7.482
   67   2H5*    A   7          2H5*        A   7  -0.238  -0.819  -7.358
   68    H4*    A   7           H4*        A   7  -2.288  -2.194  -7.418
   69    H3*    A   7           H3*        A   7  -1.780  -0.886  -4.726
   70    H2*    A   7           H2*        A   7  -4.060  -1.537  -4.228
   71   2HO*    A   7          2HO*        A   7  -4.893  -1.438  -6.429
   72    H1*    A   7           H1*        A   7  -3.537  -4.028  -4.836
   73    H8     A   7           H8         A   7  -0.170  -2.803  -3.773
   74   1H6     A   7          1H6         A   7  -2.295  -3.416   2.011
   75   2H6     A   7          2H6         A   7  -0.848  -3.228   1.013
   76    H2     A   7           H2         A   7  -5.716  -3.722  -0.743
   77   1H5*    U   8          1H5*        U   8  -5.722   2.163  -5.866
   78   2H5*    U   8          2H5*        U   8  -4.619   1.378  -4.768
   79    H4*    U   8           H4*        U   8  -7.500   0.491  -5.213
   80    H3*    U   8           H3*        U   8  -6.119   2.285  -3.216
   81    H2*    U   8           H2*        U   8  -7.662   1.609  -1.510
   82   2HO*    U   8          2HO*        U   8  -9.519   1.255  -2.982
   83    H1*    U   8           H1*        U   8  -7.331  -0.933  -1.997
   84    H3     U   8           H3         U   8  -4.806   0.426   1.625
   85    H5     U   8           H5         U   8  -2.214   0.378  -1.682
   86    H6     U   8           H6         U   8  -4.142   0.144  -3.149
   87   1H5*    G   9          1H5*        G   9 -10.482   4.990  -3.113
   88   2H5*    G   9          2H5*        G   9  -8.893   4.533  -2.549
   89    H4*    G   9           H4*        G   9 -11.519   3.926  -1.132
   90    H3*    G   9           H3*        G   9  -9.325   5.988  -0.935
   91    H2*    G   9           H2*        G   9  -9.315   5.924   1.426
   92   2HO*    G   9          2HO*        G   9 -11.570   5.845   1.670
   93    H1*    G   9           H1*        G   9  -9.386   3.307   1.722
   94    H8     G   9           H8         G   9  -7.449   3.599  -1.463
   95    H1     G   9           H1         G   9  -3.995   4.860   3.799
   96   1H2     G   9          1H2         G   9  -5.324   5.128   5.540
   97   2H2     G   9          2H2         G   9  -7.061   4.915   5.363
   98   1H5*    A  10          1H5*        A  10 -11.139   9.834   1.895
   99   2H5*    A  10          2H5*        A  10  -9.605   9.159   1.417
  100    H4*    A  10           H4*        A  10 -11.130   8.505   3.969
  101    H3*    A  10           H3*        A  10  -8.866  10.225   3.067
  102    H2*    A  10           H2*        A  10  -7.487   9.724   4.944
  103   2HO*    A  10          2HO*        A  10  -9.409   9.705   6.375
  104    H1*    A  10           H1*        A  10  -7.814   7.121   4.906
  105    H8     A  10           H8         A  10  -8.262   7.712   1.312
  106   1H6     A  10          1H6         A  10  -2.031   7.934   1.023
  107   2H6     A  10          2H6         A  10  -3.530   7.859   0.064
  108    H2     A  10           H2         A  10  -3.217   8.316   5.237
  109   1H5*    U  11          1H5*        U  11  -8.675  11.157   7.130
  110   2H5*    U  11          2H5*        U  11  -8.830  12.907   7.309
  111    H4*    U  11           H4*        U  11  -6.709  12.147   8.261
  112    H3*    U  11           H3*        U  11  -6.501  13.765   5.704
  113    H2*    U  11           H2*        U  11  -4.126  13.721   6.069
  114   2HO*    U  11          2HO*        U  11  -4.333  14.076   8.322
  115    H1*    U  11           H1*        U  11  -3.966  11.153   6.858
  116    H3     U  11           H3         U  11  -1.847  11.409   2.870
  117    H5     U  11           H5         U  11  -5.942  11.213   1.882
  118    H6     U  11           H6         U  11  -6.468  11.377   4.242
  119   1H5*    A  12          1H5*        A  12  -3.872  15.565   9.011
  120   2H5*    A  12          2H5*        A  12  -4.103  17.307   8.793
  121    H4*    A  12           H4*        A  12  -1.719  16.769   8.832
  122    H3*    A  12           H3*        A  12  -2.832  17.707   6.170
  123    H2*    A  12           H2*        A  12  -0.541  17.691   5.400
  124   2HO*    A  12          2HO*        A  12   0.234  18.516   7.423
  125    H1*    A  12           H1*        A  12   0.145  15.404   6.497
  126    H8     A  12           H8         A  12  -3.361  15.305   5.142
  127   1H6     A  12          1H6         A  12  -0.632  12.974   0.083
  128   2H6     A  12          2H6         A  12  -2.181  13.231   0.862
  129    H2     A  12           H2         A  12   2.525  14.440   2.798
  130   1H5*    C  13          1H5*        C  13   0.860  19.842   7.293
  131   2H5*    C  13          2H5*        C  13   0.605  21.578   6.959
  132    H4*    C  13           H4*        C  13   2.687  20.911   5.801
  133    H3*    C  13           H3*        C  13   0.498  21.232   3.896
  134    H2*    C  13           H2*        C  13   2.337  20.931   2.394
  135   2HO*    C  13          2HO*        C  13   3.824  22.182   3.477
  136    H1*    C  13           H1*        C  13   3.474  18.796   3.614
  137   1H4     C  13          1H4         C  13  -0.482  15.932  -0.267
  138   2H4     C  13          2H4         C  13  -1.907  16.467   0.627
  139    H5     C  13           H5         C  13  -1.716  17.891   2.577
  140    H6     C  13           H6         C  13  -0.206  19.069   3.994
  141   1H5*    A  14          1H5*        A  14   1.923  24.811   0.824
  142   2H5*    A  14          2H5*        A  14   1.563  23.080   0.856
  143    H4*    A  14           H4*        A  14   4.323  24.289   0.518
  144    H3*    A  14           H3*        A  14   2.411  22.934  -1.351
  145    H2*    A  14           H2*        A  14   4.349  22.167  -2.618
  146   2HO*    A  14          2HO*        A  14   5.755  24.018  -2.053
  147    H1*    A  14           H1*        A  14   5.356  21.059  -0.481
  148    H8     A  14           H8         A  14   1.815  20.947   0.680
  149   1H6     A  14          1H6         A  14   1.087  16.319  -3.367
  150   2H6     A  14          2H6         A  14   0.364  17.226  -2.024
  151    H2     A  14           H2         A  14   4.972  18.169  -4.222
  152   1H5*    A  15          1H5*        A  15   4.789  26.177  -4.910
  153   2H5*    A  15          2H5*        A  15   3.801  24.745  -4.586
  154    H4*    A  15           H4*        A  15   6.797  24.604  -5.170
  155    H3*    A  15           H3*        A  15   5.135  25.505  -7.032
  156    H2*    A  15           H2*        A  15   3.397  23.971  -6.498
  157   2HO*    A  15          2HO*        A  15   4.711  23.159  -8.842
  158    H1*    A  15           H1*        A  15   5.431  21.846  -6.811
  159    H8     A  15           H8         A  15   3.130  22.672  -4.143
  160   1H6     A  15          1H6         A  15   0.019  17.476  -5.842
  161   2H6     A  15          2H6         A  15  -0.030  18.825  -4.686
  162    H2     A  15           H2         A  15   3.601  17.937  -8.282
  163   1H5*    U  16          1H5*        U  16   6.352  23.234 -11.735
  164   2H5*    U  16          2H5*        U  16   4.684  23.367 -11.139
  165    H4*    U  16           H4*        U  16   4.966  21.368 -12.446
  166    H3*    U  16           H3*        U  16   4.464  21.117  -9.542
  167    H2*    U  16           H2*        U  16   5.059  18.887  -9.279
  168   2HO*    U  16          2HO*        U  16   4.444  18.688 -11.982
  169    H1*    U  16           H1*        U  16   7.074  18.712 -11.029
  170    H3     U  16           H3         U  16  10.507  19.990  -8.402
  171    H5     U  16           H5         U  16   7.112  20.935  -6.182
  172    H6     U  16           H6         U  16   5.767  20.597  -8.077
  173   1H5*    U  17          1H5*        U  17   1.738  18.156 -10.322
  174   2H5*    U  17          2H5*        U  17   2.485  17.480 -11.741
  175    H4*    U  17           H4*        U  17  -0.531  17.597 -11.603
  176    H3*    U  17           H3*        U  17   1.111  16.108  -9.770
  177    H2*    U  17           H2*        U  17   1.022  13.923 -10.663
  178   2HO*    U  17          2HO*        U  17  -1.348  14.055 -10.709
  179    H1*    U  17           H1*        U  17   0.872  14.321 -13.290
  180    H3     U  17           H3         U  17   5.208  15.477 -14.293
  181    H5     U  17           H5         U  17   5.082  15.109 -10.130
  182    H6     U  17           H6         U  17   2.746  14.954 -10.223
  183   1H5*    U  18          1H5*        U  18   0.216  12.867  -7.683
  184   2H5*    U  18          2H5*        U  18   0.124  12.764  -9.368
  185    H4*    U  18           H4*        U  18  -1.956  11.465  -7.634
  186    H3*    U  18           H3*        U  18   0.795  10.595  -7.903
  187    H2*    U  18           H2*        U  18   0.594   8.794  -9.424
  188   2HO*    U  18          2HO*        U  18  -1.229   8.042  -7.936
  189    H1*    U  18           H1*        U  18  -1.581   9.442 -10.907
  190    H3     U  18           H3         U  18   0.568  11.540 -14.276
  191    H5     U  18           H5         U  18   3.182  11.959 -11.020
  192    H6     U  18           H6         U  18   1.590  10.986  -9.652
  193   1H5*    G  19          1H5*        G  19   1.857   9.136  -3.447
  194   2H5*    G  19          2H5*        G  19   2.356  10.770  -3.908
  195    H4*    G  19           H4*        G  19   3.725   8.214  -4.883
  196    H3*    G  19           H3*        G  19   3.841   8.916  -2.309
  197    H2*    G  19           H2*        G  19   4.194  11.288  -2.811
  198   2HO*    G  19          2HO*        G  19   5.920  10.377  -1.337
  199    H1*    G  19           H1*        G  19   6.399  10.182  -4.589
  200    H8     G  19           H8         G  19   7.845  12.362  -4.698
  201    H1     G  19           H1         G  19   2.731  15.883  -6.411
  202   1H2     G  19          1H2         G  19   0.910  14.627  -6.237
  203   2H2     G  19          2H2         G  19   0.974  13.021  -5.517
  204   1H5*    A  20          1H5*        A  20   7.663   9.357  -0.768
  205   2H5*    A  20          2H5*        A  20   7.763   7.853   0.164
  206    H4*    A  20           H4*        A  20   7.755   9.709   1.717
  207    H3*    A  20           H3*        A  20   5.109   8.260   1.602
  208    H2*    A  20           H2*        A  20   4.503   9.519   3.590
  209   2HO*    A  20          2HO*        A  20   6.740   9.747   4.421
  210    H1*    A  20           H1*        A  20   5.077  11.797   2.429
  211    H8     A  20           H8         A  20   4.257   9.969  -0.619
  212   1H6     A  20          1H6         A  20  -1.702  10.269   0.935
  213   2H6     A  20          2H6         A  20  -0.543   9.889  -0.326
  214    H2     A  20           H2         A  20   0.669  11.377   4.503
  215   1H5*    U  21          1H5*        U  21   6.093   6.323   6.218
  216   2H5*    U  21          2H5*        U  21   5.086   6.705   4.847
  217    H4*    U  21           H4*        U  21   5.124   8.247   7.479
  218    H3*    U  21           H3*        U  21   3.357   6.069   6.350
  219    H2*    U  21           H2*        U  21   1.435   7.177   7.332
  220   2HO*    U  21          2HO*        U  21   2.666   7.773   9.244
  221    H1*    U  21           H1*        U  21   2.029   9.624   6.488
  222    H3     U  21           H3         U  21  -1.234   7.820   3.783
  223    H5     U  21           H5         U  21   2.394   6.968   1.890
  224    H6     U  21           H6         U  21   3.584   7.766   3.838
  225   1H5*    C  22          1H5*        C  22   1.705   6.417  10.275
  226   2H5*    C  22          2H5*        C  22   1.506   4.773  10.912
  227    H4*    C  22           H4*        C  22  -0.632   5.993  10.828
  228    H3*    C  22           H3*        C  22  -0.424   3.765   8.793
  229    H2*    C  22           H2*        C  22  -2.830   4.095   8.543
  230   2HO*    C  22          2HO*        C  22  -3.265   4.754  10.749
  231    H1*    C  22           H1*        C  22  -2.533   6.667   8.164
  232   1H4     C  22          1H4         C  22  -1.743   4.015   2.487
  233   2H4     C  22          2H4         C  22  -0.011   3.924   2.722
  234    H5     C  22           H5         C  22   1.045   4.541   4.817
  235    H6     C  22           H6         C  22   0.629   5.352   7.037
  236   1H5*    A  23          1H5*        A  23  -3.933   1.353  12.019
  237   2H5*    A  23          2H5*        A  23  -3.180   1.580  10.447
  238    H4*    A  23           H4*        A  23  -5.902   2.681  11.290
  239    H3*    A  23           H3*        A  23  -5.079   0.330   9.615
  240    H2*    A  23           H2*        A  23  -6.969   0.749   8.151
  241   2HO*    A  23          2HO*        A  23  -8.410   1.482   9.881
  242    H1*    A  23           H1*        A  23  -6.387   3.305   7.772
  243    H8     A  23           H8         A  23  -2.940   2.159   8.526
  244   1H6     A  23          1H6         A  23  -2.665  -0.065   2.779
  245   2H6     A  23          2H6         A  23  -1.781   0.310   4.273
  246    H2     A  23           H2         A  23  -6.927   0.675   3.746
  247   1H5*    G  24          1H5*        G  24  -8.856  -0.416   8.087
  248   2H5*    G  24          2H5*        G  24  -9.474  -1.913   8.798
  249    H4*    G  24           H4*        G  24  -9.067  -2.244   6.453
  250    H3*    G  24           H3*        G  24  -7.110  -3.704   8.240
  251    H2*    G  24           H2*        G  24  -6.251  -4.712   6.200
  252   2HO*    G  24          2HO*        G  24  -8.353  -4.851   5.157
  253    H1*    G  24           H1*        G  24  -6.046  -2.442   4.830
  254    H8     G  24           H8         G  24  -5.545  -1.095   8.227
  255    H1     G  24           H1         G  24  -0.484  -4.508   6.311
  256   1H2     G  24          1H2         G  24  -0.999  -5.594   4.437
  257   2H2     G  24          2H2         G  24  -2.607  -5.489   3.787
  258   1H5*    U  25          1H5*        U  25 -10.984  -5.190   5.931
  259   2H5*    U  25          2H5*        U  25 -11.223  -6.948   5.941
  260    H4*    U  25           H4*        U  25 -11.838  -5.844   3.771
  261    H3*    U  25           H3*        U  25  -9.725  -7.976   3.786
  262    H2*    U  25           H2*        U  25  -9.366  -7.595   1.452
  263   2HO*    U  25          2HO*        U  25 -11.556  -7.467   0.904
  264    H1*    U  25           H1*        U  25  -9.559  -4.906   1.441
  265    H3     U  25           H3         U  25  -5.108  -4.642   1.136
  266    H5     U  25           H5         U  25  -5.610  -7.269   4.336
  267    H6     U  25           H6         U  25  -7.985  -7.005   4.108
  268   1H5*    A  26          1H5*        A  26 -10.753 -11.039  -0.078
  269   2H5*    A  26          2H5*        A  26  -9.441 -10.163   0.694
  270    H4*    A  26           H4*        A  26 -10.973  -9.178  -1.747
  271    H3*    A  26           H3*        A  26  -8.387 -10.695  -1.388
  272    H2*    A  26           H2*        A  26  -7.385  -9.383  -3.140
  273   2HO*    A  26          2HO*        A  26  -9.427  -9.380  -4.358
  274    H1*    A  26           H1*        A  26  -8.203  -7.006  -2.275
  275    H8     A  26           H8         A  26  -7.795  -9.000   0.850
  276   1H6     A  26          1H6         A  26  -1.790  -7.491   0.555
  277   2H6     A  26          2H6         A  26  -3.073  -8.231   1.511
  278    H2     A  26           H2         A  26  -3.666  -6.344  -3.284
  279   1H5*    U  27          1H5*        U  27  -8.649 -10.545  -5.451
  280   2H5*    U  27          2H5*        U  27  -8.315 -12.116  -6.188
  281    H4*    U  27           H4*        U  27  -6.740 -10.439  -6.994
  282    H3*    U  27           H3*        U  27  -5.437 -12.529  -5.189
  283    H2*    U  27           H2*        U  27  -3.380 -11.473  -5.848
  284   2HO*    U  27          2HO*        U  27  -4.078 -11.122  -8.016
  285    H1*    U  27           H1*        U  27  -4.194  -8.977  -5.414
  286    H3     U  27           H3         U  27  -1.490 -10.257  -1.952
  287    H5     U  27           H5         U  27  -5.337 -11.493  -0.841
  288    H6     U  27           H6         U  27  -6.104 -10.945  -3.055
  289   1H5*    A  28          1H5*        A  28  -3.343 -12.434  -8.937
  290   2H5*    A  28          2H5*        A  28  -2.912 -14.073  -9.444
  291    H4*    A  28           H4*        A  28  -0.948 -12.621  -9.415
  292    H3*    A  28           H3*        A  28  -0.891 -14.819  -7.294
  293    H2*    A  28           H2*        A  28   1.310 -14.009  -6.797
  294   2HO*    A  28          2HO*        A  28   1.762 -13.575  -9.070
  295    H1*    A  28           H1*        A  28   0.668 -11.431  -6.674
  296    H8     A  28           H8         A  28  -2.458 -13.124  -5.484
  297   1H6     A  28          1H6         A  28   0.288 -13.409   0.036
  298   2H6     A  28          2H6         A  28  -1.215 -13.569  -0.877
  299    H2     A  28           H2         A  28   3.397 -12.360  -2.943
  300   1H5*    U  29          1H5*        U  29   2.769 -14.862  -9.299
  301   2H5*    U  29          2H5*        U  29   3.352 -16.495  -9.602
  302    H4*    U  29           H4*        U  29   4.973 -15.170  -8.313
  303    H3*    U  29           H3*        U  29   3.767 -17.500  -6.723
  304    H2*    U  29           H2*        U  29   5.409 -16.863  -5.076
  305   2HO*    U  29          2HO*        U  29   7.036 -16.343  -6.589
  306    H1*    U  29           H1*        U  29   4.858 -14.261  -5.119
  307    H3     U  29           H3         U  29   3.038 -16.153  -1.370
  308    H5     U  29           H5         U  29   0.077 -16.505  -4.310
  309    H6     U  29           H6         U  29   1.655 -15.774  -5.969
  310   1H5*    C  30          1H5*        C  30   7.953 -17.657  -6.533
  311   2H5*    C  30          2H5*        C  30   8.565 -19.305  -6.635
  312    H4*    C  30           H4*        C  30   9.343 -18.165  -4.597
  313    H3*    C  30           H3*        C  30   7.437 -20.514  -4.064
  314    H2*    C  30           H2*        C  30   8.020 -20.120  -1.756
  315   2HO*    C  30          2HO*        C  30  10.230 -19.508  -2.410
  316    H1*    C  30           H1*        C  30   7.589 -17.482  -1.822
  317   1H4     C  30          1H4         C  30   1.963 -19.856  -0.408
  318   2H4     C  30          2H4         C  30   1.472 -19.783  -2.100
  319    H5     C  30           H5         C  30   3.045 -19.321  -3.889
  320    H6     C  30           H6         C  30   5.283 -18.687  -4.378
  321   1H5*    C  31          1H5*        C  31  10.775 -20.928  -1.607
  322   2H5*    C  31          2H5*        C  31  11.438 -22.554  -1.736
  323    H4*    C  31           H4*        C  31  11.015 -22.054   0.608
  324    H3*    C  31           H3*        C  31   9.009 -24.004  -0.611
  325    H2*    C  31           H2*        C  31   8.205 -24.322   1.629
  326   2HO*    C  31          2HO*        C  31  10.408 -24.185   2.527
  327    H1*    C  31           H1*        C  31   8.149 -21.657   2.218
  328   1H4     C  31          1H4         C  31   2.427 -23.060   0.080
  329   2H4     C  31          2H4         C  31   2.905 -22.695  -1.585
  330    H5     C  31           H5         C  31   5.201 -22.257  -2.216
  331    H6     C  31           H6         C  31   7.420 -21.962  -1.394
  332    H3T    C  31           H3T        C  31  11.163 -24.719  -0.553
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1 -10.537 -22.332   3.295
    2   2H5*    G   1          2H5*        G   1 -10.456 -20.681   3.944
    3    H4*    G   1           H4*        G   1  -9.475 -22.182   5.565
    4    H3*    G   1           H3*        G   1  -7.438 -20.515   4.070
    5    H2*    G   1           H2*        G   1  -5.788 -21.416   5.594
    6   2HO*    G   1          2HO*        G   1  -7.223 -21.415   7.444
    7    H1*    G   1           H1*        G   1  -6.571 -23.968   5.273
    8    H8     G   1           H8         G   1  -7.381 -22.626   1.902
    9    H1     G   1           H1         G   1  -1.062 -23.017   2.944
   10   1H2     G   1          1H2         G   1  -0.688 -23.331   5.118
   11   2H2     G   1          2H2         G   1  -2.010 -23.473   6.261
   12    H5T    G   1           H5T        G   1  -8.651 -20.299   2.639
   13   1H5*    G   2          1H5*        G   2  -6.624 -19.921   8.125
   14   2H5*    G   2          2H5*        G   2  -6.397 -18.200   8.481
   15    H4*    G   2           H4*        G   2  -4.504 -19.543   9.298
   16    H3*    G   2           H3*        G   2  -3.871 -17.658   7.017
   17    H2*    G   2           H2*        G   2  -1.547 -18.314   7.347
   18   2HO*    G   2          2HO*        G   2  -1.810 -18.429   9.691
   19    H1*    G   2           H1*        G   2  -2.057 -20.959   7.440
   20    H8     G   2           H8         G   2  -4.639 -19.831   5.005
   21    H1     G   2           H1         G   2   1.318 -19.513   2.632
   22   1H2     G   2          1H2         G   2   2.795 -19.693   4.281
   23   2H2     G   2          2H2         G   2   2.285 -19.955   5.940
   24   1H5*    A   3          1H5*        A   3  -0.913 -17.142   9.994
   25   2H5*    A   3          2H5*        A   3  -0.594 -15.434  10.326
   26    H4*    A   3           H4*        A   3   1.480 -16.655   9.814
   27    H3*    A   3           H3*        A   3   0.659 -14.556   7.785
   28    H2*    A   3           H2*        A   3   2.738 -15.052   6.649
   29   2HO*    A   3          2HO*        A   3   3.868 -15.348   8.729
   30    H1*    A   3           H1*        A   3   2.477 -17.731   6.745
   31    H8     A   3           H8         A   3  -1.083 -16.622   6.412
   32   1H6     A   3          1H6         A   3   0.080 -15.986   0.352
   33   2H6     A   3          2H6         A   3  -1.171 -16.029   1.588
   34    H2     A   3           H2         A   3   3.966 -16.436   2.460
   35   1H5*    U   4          1H5*        U   4   4.732 -14.021   8.606
   36   2H5*    U   4          2H5*        U   4   5.188 -12.317   8.755
   37    H4*    U   4           H4*        U   4   6.499 -13.466   7.004
   38    H3*    U   4           H3*        U   4   4.584 -11.350   5.970
   39    H2*    U   4           H2*        U   4   5.673 -11.734   3.818
   40   2HO*    U   4          2HO*        U   4   7.784 -12.041   4.830
   41    H1*    U   4           H1*        U   4   5.570 -14.439   4.003
   42    H3     U   4           H3         U   4   2.522 -12.984   0.938
   43    H5     U   4           H5         U   4   0.509 -12.870   4.623
   44    H6     U   4           H6         U   4   2.601 -13.311   5.731
   45   1H5*    A   5          1H5*        A   5   8.359 -10.624   4.291
   46   2H5*    A   5          2H5*        A   5   8.750  -8.897   4.231
   47    H4*    A   5           H4*        A   5   8.945  -9.950   2.016
   48    H3*    A   5           H3*        A   5   6.686  -7.930   2.248
   49    H2*    A   5           H2*        A   5   6.398  -8.270  -0.135
   50   2HO*    A   5          2HO*        A   5   8.704  -8.462  -0.534
   51    H1*    A   5           H1*        A   5   6.458 -10.962  -0.005
   52    H8     A   5           H8         A   5   4.852 -10.026   3.253
   53   1H6     A   5          1H6         A   5  -0.411  -9.407   0.010
   54   2H6     A   5          2H6         A   5   0.278  -9.529   1.623
   55    H2     A   5           H2         A   5   2.968  -9.576  -2.859
   56   1H5*    U   6          1H5*        U   6   9.019  -6.924  -1.202
   57   2H5*    U   6          2H5*        U   6   9.106  -5.162  -1.381
   58    H4*    U   6           H4*        U   6   8.140  -6.328  -3.370
   59    H3*    U   6           H3*        U   6   6.323  -4.379  -1.917
   60    H2*    U   6           H2*        U   6   4.770  -4.770  -3.720
   61   2HO*    U   6          2HO*        U   6   6.309  -4.827  -5.404
   62    H1*    U   6           H1*        U   6   5.055  -7.462  -3.743
   63    H3     U   6           H3         U   6   1.007  -6.372  -1.975
   64    H5     U   6           H5         U   6   3.675  -6.283   1.274
   65    H6     U   6           H6         U   6   5.498  -6.540  -0.275
   66   1H5*    A   7          1H5*        A   7   5.101  -1.198  -5.936
   67   2H5*    A   7          2H5*        A   7   4.307  -1.755  -4.455
   68    H4*    A   7           H4*        A   7   4.190  -3.130  -7.172
   69    H3*    A   7           H3*        A   7   2.551  -1.112  -5.782
   70    H2*    A   7           H2*        A   7   0.524  -2.295  -5.733
   71   2HO*    A   7          2HO*        A   7   0.630  -2.820  -7.989
   72    H1*    A   7           H1*        A   7   1.400  -4.834  -5.416
   73    H8     A   7           H8         A   7   3.769  -3.131  -3.135
   74   1H6     A   7          1H6         A   7  -0.853  -2.881   0.977
   75   2H6     A   7          2H6         A   7   0.883  -2.695   0.748
   76    H2     A   7           H2         A   7  -2.595  -3.948  -2.946
   77   1H5*    U   8          1H5*        U   8  -1.019   0.847  -8.117
   78   2H5*    U   8          2H5*        U   8  -0.380   0.487  -6.513
   79    H4*    U   8           H4*        U   8  -2.507  -1.159  -7.964
   80    H3*    U   8           H3*        U   8  -2.497   1.186  -6.104
   81    H2*    U   8           H2*        U   8  -4.262   0.322  -4.763
   82   2HO*    U   8          2HO*        U   8  -5.463  -0.425  -6.633
   83    H1*    U   8           H1*        U   8  -3.395  -2.222  -4.642
   84    H3     U   8           H3         U   8  -2.477  -0.137  -0.642
   85    H5     U   8           H5         U   8   0.996   0.164  -2.973
   86    H6     U   8           H6         U   8  -0.272  -0.601  -4.875
   87   1H5*    G   9          1H5*        G   9  -6.537   3.825  -6.180
   88   2H5*    G   9          2H5*        G   9  -5.228   3.454  -5.063
   89    H4*    G   9           H4*        G   9  -8.048   2.280  -4.999
   90    H3*    G   9           H3*        G   9  -6.559   4.543  -3.793
   91    H2*    G   9           H2*        G   9  -7.273   4.156  -1.561
   92   2HO*    G   9          2HO*        G   9  -9.479   3.701  -2.189
   93    H1*    G   9           H1*        G   9  -6.965   1.492  -1.533
   94    H8     G   9           H8         G   9  -4.258   2.292  -3.885
   95    H1     G   9           H1         G   9  -2.807   4.026   2.124
   96   1H2     G   9          1H2         G   9  -4.639   4.147   3.341
   97   2H2     G   9          2H2         G   9  -6.207   3.691   2.693
   98   1H5*    A  10          1H5*        A  10  -9.422   8.022  -1.896
   99   2H5*    A  10          2H5*        A  10  -7.772   7.415  -1.783
  100    H4*    A  10           H4*        A  10 -10.044   6.869   0.184
  101    H3*    A  10           H3*        A  10  -7.703   8.702  -0.090
  102    H2*    A  10           H2*        A  10  -6.999   8.438   2.174
  103   2HO*    A  10          2HO*        A  10  -9.279   8.389   2.925
  104    H1*    A  10           H1*        A  10  -7.184   5.774   2.260
  105    H8     A  10           H8         A  10  -6.426   6.076  -1.328
  106   1H6     A  10          1H6         A  10  -0.511   7.011   0.254
  107   2H6     A  10          2H6         A  10  -1.615   6.680  -1.071
  108    H2     A  10           H2         A  10  -2.993   7.538   3.893
  109   1H5*    U  11          1H5*        U  11  -9.030   9.977   3.568
  110   2H5*    U  11          2H5*        U  11  -9.202  11.742   3.591
  111    H4*    U  11           H4*        U  11  -7.578  10.957   5.295
  112    H3*    U  11           H3*        U  11  -6.495  12.610   3.004
  113    H2*    U  11           H2*        U  11  -4.370  12.562   4.174
  114   2HO*    U  11          2HO*        U  11  -5.268  12.845   6.270
  115    H1*    U  11           H1*        U  11  -4.485   9.937   4.866
  116    H3     U  11           H3         U  11  -1.219  10.484   1.718
  117    H5     U  11           H5         U  11  -4.780   9.942  -0.449
  118    H6     U  11           H6         U  11  -6.007  10.119   1.622
  119   1H5*    A  12          1H5*        A  12  -5.173  14.222   6.982
  120   2H5*    A  12          2H5*        A  12  -5.264  15.990   6.862
  121    H4*    A  12           H4*        A  12  -3.017  15.201   7.621
  122    H3*    A  12           H3*        A  12  -3.282  16.692   5.010
  123    H2*    A  12           H2*        A  12  -0.861  16.572   4.794
  124   2HO*    A  12          2HO*        A  12  -0.617  16.959   7.134
  125    H1*    A  12           H1*        A  12  -0.610  14.013   5.618
  126    H8     A  12           H8         A  12  -3.726  14.239   3.464
  127   1H6     A  12          1H6         A  12   0.118  12.955  -1.221
  128   2H6     A  12          2H6         A  12  -1.570  13.090  -0.751
  129    H2     A  12           H2         A  12   2.565  13.943   2.332
  130   1H5*    C  13          1H5*        C  13   0.098  18.298   7.086
  131   2H5*    C  13          2H5*        C  13  -0.080  20.067   7.168
  132    H4*    C  13           H4*        C  13   2.132  19.547   6.329
  133    H3*    C  13           H3*        C  13   0.311  20.625   4.199
  134    H2*    C  13           H2*        C  13   2.257  20.540   2.775
  135   2HO*    C  13          2HO*        C  13   3.683  21.439   4.323
  136    H1*    C  13           H1*        C  13   3.275  18.163   3.754
  137   1H4     C  13          1H4         C  13   0.237  16.715  -1.639
  138   2H4     C  13          2H4         C  13  -1.271  16.543  -0.758
  139    H5     C  13           H5         C  13  -1.488  17.085   1.628
  140    H6     C  13           H6         C  13  -0.322  17.960   3.553
  141   1H5*    A  14          1H5*        A  14   2.402  24.676   2.288
  142   2H5*    A  14          2H5*        A  14   1.400  23.263   1.926
  143    H4*    A  14           H4*        A  14   4.427  23.441   1.538
  144    H3*    A  14           H3*        A  14   2.068  23.654  -0.270
  145    H2*    A  14           H2*        A  14   3.344  22.483  -1.977
  146   2HO*    A  14          2HO*        A  14   5.420  23.302  -1.491
  147    H1*    A  14           H1*        A  14   3.835  20.399  -0.417
  148    H8     A  14           H8         A  14   0.968  21.319   1.582
  149   1H6     A  14          1H6         A  14  -2.790  19.953  -3.192
  150   2H6     A  14          2H6         A  14  -2.729  20.243  -1.454
  151    H2     A  14           H2         A  14   1.328  20.286  -4.738
  152   1H5*    A  15          1H5*        A  15   2.874  27.472  -3.271
  153   2H5*    A  15          2H5*        A  15   1.702  27.311  -1.950
  154    H4*    A  15           H4*        A  15   0.664  27.592  -4.214
  155    H3*    A  15           H3*        A  15  -0.392  26.023  -2.303
  156    H2*    A  15           H2*        A  15   1.035  24.128  -2.855
  157   2HO*    A  15          2HO*        A  15  -1.435  23.711  -3.012
  158    H1*    A  15           H1*        A  15   0.156  24.552  -5.690
  159    H8     A  15           H8         A  15   3.111  23.571  -3.503
  160   1H6     A  15          1H6         A  15   4.304  19.318  -7.877
  161   2H6     A  15          2H6         A  15   4.775  19.895  -6.284
  162    H2     A  15           H2         A  15   0.989  21.898  -9.287
  163   1H5*    U  16          1H5*        U  16  -4.806  23.970  -5.109
  164   2H5*    U  16          2H5*        U  16  -3.695  22.897  -4.236
  165    H4*    U  16           H4*        U  16  -4.472  21.770  -6.214
  166    H3*    U  16           H3*        U  16  -1.636  22.653  -6.081
  167    H2*    U  16           H2*        U  16  -1.109  22.323  -8.346
  168   2HO*    U  16          2HO*        U  16  -3.238  20.524  -8.243
  169    H1*    U  16           H1*        U  16  -3.363  23.251  -9.448
  170    H3     U  16           H3         U  16  -2.838  27.780  -9.130
  171    H5     U  16           H5         U  16   0.384  26.123  -7.013
  172    H6     U  16           H6         U  16  -0.703  23.979  -7.134
  173   1H5*    U  17          1H5*        U  17  -1.695  18.320  -7.837
  174   2H5*    U  17          2H5*        U  17  -2.677  16.910  -7.451
  175    H4*    U  17           H4*        U  17   0.042  17.468  -6.180
  176    H3*    U  17           H3*        U  17  -0.558  16.623  -8.876
  177    H2*    U  17           H2*        U  17  -0.101  14.317  -8.818
  178   2HO*    U  17          2HO*        U  17   2.027  14.615  -8.062
  179    H1*    U  17           H1*        U  17  -0.634  13.644  -6.253
  180    H3     U  17           H3         U  17  -5.141  12.955  -6.575
  181    H5     U  17           H5         U  17  -4.153  15.096 -10.051
  182    H6     U  17           H6         U  17  -1.934  15.339  -9.218
  183   1H5*    U  18          1H5*        U  18   4.055  14.831  -8.480
  184   2H5*    U  18          2H5*        U  18   3.596  15.917  -7.175
  185    H4*    U  18           H4*        U  18   6.211  16.195  -8.711
  186    H3*    U  18           H3*        U  18   5.407  14.125  -6.883
  187    H2*    U  18           H2*        U  18   6.371  14.756  -4.848
  188   2HO*    U  18          2HO*        U  18   8.491  14.827  -5.798
  189    H1*    U  18           H1*        U  18   6.541  17.451  -5.021
  190    H3     U  18           H3         U  18   2.469  18.692  -3.507
  191    H5     U  18           H5         U  18   2.044  14.604  -4.370
  192    H6     U  18           H6         U  18   4.245  14.611  -5.299
  193   1H5*    G  19          1H5*        G  19   8.728  11.069  -5.056
  194   2H5*    G  19          2H5*        G  19   7.006  11.479  -4.955
  195    H4*    G  19           H4*        G  19   9.214  12.811  -3.331
  196    H3*    G  19           H3*        G  19   7.208  10.626  -2.677
  197    H2*    G  19           H2*        G  19   7.136  11.489  -0.444
  198   2HO*    G  19          2HO*        G  19   9.408  11.926  -0.304
  199    H1*    G  19           H1*        G  19   7.006  14.099  -1.174
  200    H8     G  19           H8         G  19   4.970  13.155   0.419
  201    H1     G  19           H1         G  19   1.917  11.325  -4.912
  202   1H2     G  19          1H2         G  19   3.338  11.318  -6.645
  203   2H2     G  19          2H2         G  19   5.022  11.752  -6.450
  204   1H5*    A  20          1H5*        A  20   9.005   8.277   1.461
  205   2H5*    A  20          2H5*        A  20   7.449   8.619   0.704
  206    H4*    A  20           H4*        A  20   8.824  10.287   2.858
  207    H3*    A  20           H3*        A  20   6.669   8.225   2.689
  208    H2*    A  20           H2*        A  20   5.189   9.395   4.140
  209   2HO*    A  20          2HO*        A  20   6.838  10.038   5.642
  210    H1*    A  20           H1*        A  20   5.505  11.841   3.061
  211    H8     A  20           H8         A  20   6.043   9.757   0.037
  212   1H6     A  20          1H6         A  20  -0.135   9.187  -0.302
  213   2H6     A  20          2H6         A  20   1.375   8.887  -1.142
  214    H2     A  20           H2         A  20   0.863  10.817   3.680
  215   1H5*    U  21          1H5*        U  21   5.727   6.135   7.140
  216   2H5*    U  21          2H5*        U  21   4.975   6.354   5.554
  217    H4*    U  21           H4*        U  21   4.481   8.052   8.046
  218    H3*    U  21           H3*        U  21   3.005   6.042   6.352
  219    H2*    U  21           H2*        U  21   0.906   7.068   6.966
  220   2HO*    U  21          2HO*        U  21   2.002   8.008   9.087
  221    H1*    U  21           H1*        U  21   1.761   9.422   6.080
  222    H3     U  21           H3         U  21  -0.431   6.987   2.766
  223    H5     U  21           H5         U  21   3.695   6.700   2.024
  224    H6     U  21           H6         U  21   4.105   7.679   4.182
  225   1H5*    C  22          1H5*        C  22   0.571   4.238  10.332
  226   2H5*    C  22          2H5*        C  22   0.972   4.420   8.619
  227    H4*    C  22           H4*        C  22  -1.469   5.641   9.986
  228    H3*    C  22           H3*        C  22  -0.944   3.102   8.462
  229    H2*    C  22           H2*        C  22  -2.998   3.318   7.273
  230   2HO*    C  22          2HO*        C  22  -4.237   3.967   9.099
  231    H1*    C  22           H1*        C  22  -2.854   5.980   6.784
  232   1H4     C  22          1H4         C  22  -0.260   3.286   1.667
  233   2H4     C  22          2H4         C  22   1.334   3.432   2.380
  234    H5     C  22           H5         C  22   1.685   4.225   4.689
  235    H6     C  22           H6         C  22   0.568   5.010   6.687
  236   1H5*    A  23          1H5*        A  23  -5.050   0.073   9.214
  237   2H5*    A  23          2H5*        A  23  -3.771   0.380   8.025
  238    H4*    A  23           H4*        A  23  -6.498   1.747   8.105
  239    H3*    A  23           H3*        A  23  -5.236  -0.424   6.458
  240    H2*    A  23           H2*        A  23  -6.360   0.374   4.472
  241   2HO*    A  23          2HO*        A  23  -8.301   1.191   5.572
  242    H1*    A  23           H1*        A  23  -5.422   2.826   4.769
  243    H8     A  23           H8         A  23  -2.698   1.421   6.692
  244   1H6     A  23          1H6         A  23  -0.283  -0.646   1.349
  245   2H6     A  23          2H6         A  23   0.077  -0.297   3.040
  246    H2     A  23           H2         A  23  -4.582   0.134   0.712
  247   1H5*    G  24          1H5*        G  24  -7.882  -0.511   3.449
  248   2H5*    G  24          2H5*        G  24  -9.337  -1.454   3.795
  249    H4*    G  24           H4*        G  24  -8.456  -2.375   1.824
  250    H3*    G  24           H3*        G  24  -8.724  -3.865   4.163
  251    H2*    G  24           H2*        G  24  -6.579  -4.415   4.634
  252   2HO*    G  24          2HO*        G  24  -7.469  -6.295   3.204
  253    H1*    G  24           H1*        G  24  -5.421  -4.141   1.929
  254    H8     G  24           H8         G  24  -5.550  -1.777   4.927
  255    H1     G  24           H1         G  24   0.144  -4.552   3.850
  256   1H2     G  24          1H2         G  24  -0.065  -6.031   2.169
  257   2H2     G  24          2H2         G  24  -1.638  -6.392   1.494
  258   1H5*    U  25          1H5*        U  25 -11.043  -7.546  -0.142
  259   2H5*    U  25          2H5*        U  25  -9.465  -7.675   0.635
  260    H4*    U  25           H4*        U  25 -10.405  -5.533  -1.335
  261    H3*    U  25           H3*        U  25  -8.553  -7.917  -1.438
  262    H2*    U  25           H2*        U  25  -7.137  -6.748  -2.970
  263   2HO*    U  25          2HO*        U  25  -8.910  -5.898  -4.203
  264    H1*    U  25           H1*        U  25  -7.221  -4.337  -1.679
  265    H3     U  25           H3         U  25  -3.116  -5.571  -0.336
  266    H5     U  25           H5         U  25  -5.593  -8.461   1.438
  267    H6     U  25           H6         U  25  -7.478  -7.448   0.322
  268   1H5*    A  26          1H5*        A  26  -8.121  -9.707  -6.099
  269   2H5*    A  26          2H5*        A  26  -7.026  -9.320  -4.769
  270    H4*    A  26           H4*        A  26  -7.340  -7.800  -7.395
  271    H3*    A  26           H3*        A  26  -5.355  -9.672  -6.147
  272    H2*    A  26           H2*        A  26  -3.479  -8.398  -6.878
  273   2HO*    A  26          2HO*        A  26  -4.560  -7.961  -8.978
  274    H1*    A  26           H1*        A  26  -4.429  -5.972  -6.214
  275    H8     A  26           H8         A  26  -5.947  -8.180  -3.596
  276   1H6     A  26          1H6         A  26  -0.518  -7.657  -0.649
  277   2H6     A  26          2H6         A  26  -2.202  -8.137  -0.475
  278    H2     A  26           H2         A  26   0.054  -6.310  -4.824
  279   1H5*    U  27          1H5*        U  27  -3.351  -9.220  -9.539
  280   2H5*    U  27          2H5*        U  27  -2.885 -10.783 -10.236
  281    H4*    U  27           H4*        U  27  -0.886  -9.497  -9.782
  282    H3*    U  27           H3*        U  27  -1.219 -11.754  -7.769
  283    H2*    U  27           H2*        U  27   1.024 -11.139  -7.070
  284   2HO*    U  27          2HO*        U  27   1.735 -10.653  -9.252
  285    H1*    U  27           H1*        U  27   0.465  -8.493  -6.927
  286    H3     U  27           H3         U  27   0.480 -10.173  -2.674
  287    H5     U  27           H5         U  27  -3.385 -10.942  -4.132
  288    H6     U  27           H6         U  27  -2.657 -10.190  -6.301
  289   1H5*    A  28          1H5*        A  28   2.628 -12.173  -9.588
  290   2H5*    A  28          2H5*        A  28   2.990 -13.881  -9.899
  291    H4*    A  28           H4*        A  28   4.802 -12.845  -8.625
  292    H3*    A  28           H3*        A  28   3.185 -14.863  -7.024
  293    H2*    A  28           H2*        A  28   4.815 -14.504  -5.273
  294   2HO*    A  28          2HO*        A  28   6.585 -14.305  -6.857
  295    H1*    A  28           H1*        A  28   4.773 -11.805  -5.439
  296    H8     A  28           H8         A  28   1.251 -12.883  -6.276
  297   1H6     A  28          1H6         A  28   0.313 -13.004  -0.153
  298   2H6     A  28          2H6         A  28  -0.456 -13.002  -1.730
  299    H2     A  28           H2         A  28   4.695 -12.757  -0.864
  300   1H5*    U  29          1H5*        U  29   7.218 -15.763  -6.502
  301   2H5*    U  29          2H5*        U  29   7.540 -17.505  -6.486
  302    H4*    U  29           H4*        U  29   8.334 -16.410  -4.427
  303    H3*    U  29           H3*        U  29   5.992 -18.302  -3.976
  304    H2*    U  29           H2*        U  29   6.472 -17.916  -1.618
  305   2HO*    U  29          2HO*        U  29   8.778 -17.834  -1.911
  306    H1*    U  29           H1*        U  29   6.614 -15.229  -1.871
  307    H3     U  29           H3         U  29   2.637 -16.375   0.074
  308    H5     U  29           H5         U  29   1.911 -16.473  -4.061
  309    H6     U  29           H6         U  29   4.273 -16.200  -4.443
  310   1H5*    C  30          1H5*        C  30   9.115 -19.292  -1.374
  311   2H5*    C  30          2H5*        C  30   9.306 -21.043  -1.163
  312    H4*    C  30           H4*        C  30   8.975 -19.883   0.999
  313    H3*    C  30           H3*        C  30   6.692 -21.723   0.179
  314    H2*    C  30           H2*        C  30   5.844 -21.278   2.420
  315   2HO*    C  30          2HO*        C  30   8.116 -21.167   3.255
  316    H1*    C  30           H1*        C  30   6.176 -18.593   2.231
  317   1H4     C  30          1H4         C  30   0.339 -19.690   0.088
  318   2H4     C  30          2H4         C  30   0.920 -19.724  -1.571
  319    H5     C  30           H5         C  30   3.327 -19.719  -2.117
  320    H6     C  30           H6         C  30   5.545 -19.571  -1.185
  321   1H5*    C  31          1H5*        C  31   7.651 -22.566   4.090
  322   2H5*    C  31          2H5*        C  31   7.846 -24.309   4.352
  323    H4*    C  31           H4*        C  31   6.219 -23.433   5.953
  324    H3*    C  31           H3*        C  31   4.987 -25.085   3.715
  325    H2*    C  31           H2*        C  31   2.949 -24.973   5.005
  326   2HO*    C  31          2HO*        C  31   4.096 -25.156   7.071
  327    H1*    C  31           H1*        C  31   3.189 -22.288   5.494
  328   1H4     C  31          1H4         C  31  -0.400 -22.906   0.341
  329   2H4     C  31          2H4         C  31   1.013 -22.841  -0.706
  330    H5     C  31           H5         C  31   3.313 -22.824   0.187
  331    H6     C  31           H6         C  31   4.631 -22.838   2.207
  332    H3T    C  31           H3T        C  31   6.446 -26.197   5.066
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1  -9.653 -20.756   4.257
    2   2H5*    G   1          2H5*        G   1 -10.821 -21.804   5.095
    3    H4*    G   1           H4*        G   1  -9.270 -21.861   7.075
    4    H3*    G   1           H3*        G   1  -7.536 -20.227   5.207
    5    H2*    G   1           H2*        G   1  -5.626 -21.321   6.227
    6   2HO*    G   1          2HO*        G   1  -6.560 -21.351   8.350
    7    H1*    G   1           H1*        G   1  -6.617 -23.778   5.985
    8    H8     G   1           H8         G   1  -8.140 -22.171   3.002
    9    H1     G   1           H1         G   1  -1.804 -23.097   2.385
   10   1H2     G   1          1H2         G   1  -0.948 -23.533   4.379
   11   2H2     G   1          2H2         G   1  -1.993 -23.662   5.792
   12    H5T    G   1           H5T        G   1  -9.864 -19.309   6.094
   13   1H5*    G   2          1H5*        G   2  -5.719 -19.966   8.990
   14   2H5*    G   2          2H5*        G   2  -5.217 -18.305   9.338
   15    H4*    G   2           H4*        G   2  -3.346 -19.873   9.571
   16    H3*    G   2           H3*        G   2  -3.089 -17.893   7.294
   17    H2*    G   2           H2*        G   2  -0.871 -18.833   6.961
   18   2HO*    G   2          2HO*        G   2  -0.520 -19.112   9.238
   19    H1*    G   2           H1*        G   2  -1.648 -21.372   7.008
   20    H8     G   2           H8         G   2  -4.617 -19.741   5.462
   21    H1     G   2           H1         G   2   0.522 -19.926   1.581
   22   1H2     G   2          1H2         G   2   2.296 -20.376   2.774
   23   2H2     G   2          2H2         G   2   2.157 -20.746   4.487
   24   1H5*    A   3          1H5*        A   3   0.603 -17.913   9.436
   25   2H5*    A   3          2H5*        A   3   1.195 -16.269   9.702
   26    H4*    A   3           H4*        A   3   2.890 -17.673   8.610
   27    H3*    A   3           H3*        A   3   1.822 -15.384   6.922
   28    H2*    A   3           H2*        A   3   3.446 -16.075   5.275
   29   2HO*    A   3          2HO*        A   3   5.020 -16.626   6.936
   30    H1*    A   3           H1*        A   3   2.853 -18.659   5.335
   31    H8     A   3           H8         A   3  -0.475 -17.115   6.019
   32   1H6     A   3          1H6         A   3  -0.788 -16.116  -0.097
   33   2H6     A   3          2H6         A   3  -1.657 -16.071   1.447
   34    H2     A   3           H2         A   3   3.355 -17.291   0.864
   35   1H5*    U   4          1H5*        U   4   6.011 -15.308   6.612
   36   2H5*    U   4          2H5*        U   4   6.653 -13.664   6.675
   37    H4*    U   4           H4*        U   4   7.322 -14.815   4.621
   38    H3*    U   4           H3*        U   4   5.433 -12.465   4.102
   39    H2*    U   4           H2*        U   4   5.902 -12.908   1.796
   40   2HO*    U   4          2HO*        U   4   8.118 -13.451   2.220
   41    H1*    U   4           H1*        U   4   5.435 -15.535   1.920
   42    H3     U   4           H3         U   4   1.834 -13.382   0.092
   43    H5     U   4           H5         U   4   1.113 -13.358   4.215
   44    H6     U   4           H6         U   4   3.315 -14.229   4.563
   45   1H5*    A   5          1H5*        A   5   8.888 -12.036   1.683
   46   2H5*    A   5          2H5*        A   5   9.462 -10.365   1.715
   47    H4*    A   5           H4*        A   5   9.192 -11.148  -0.562
   48    H3*    A   5           H3*        A   5   7.241  -8.922   0.163
   49    H2*    A   5           H2*        A   5   6.460  -8.991  -2.013
   50   2HO*    A   5          2HO*        A   5   8.562  -9.225  -2.946
   51    H1*    A   5           H1*        A   5   6.272 -11.659  -2.249
   52    H8     A   5           H8         A   5   5.466 -11.058   1.368
   53   1H6     A   5          1H6         A   5  -0.339 -10.245  -0.619
   54   2H6     A   5          2H6         A   5   0.691 -10.537   0.779
   55    H2     A   5           H2         A   5   2.313  -9.931  -4.126
   56   1H5*    U   6          1H5*        U   6   8.222  -4.979  -2.703
   57   2H5*    U   6          2H5*        U   6   6.886  -5.771  -1.888
   58    H4*    U   6           H4*        U   6   7.673  -6.163  -4.811
   59    H3*    U   6           H3*        U   6   5.637  -4.571  -3.304
   60    H2*    U   6           H2*        U   6   3.952  -5.017  -4.950
   61   2HO*    U   6          2HO*        U   6   5.291  -4.833  -6.756
   62    H1*    U   6           H1*        U   6   4.382  -7.632  -5.118
   63    H3     U   6           H3         U   6   0.713  -6.745  -2.509
   64    H5     U   6           H5         U   6   3.939  -7.270   0.144
   65    H6     U   6           H6         U   6   5.459  -7.232  -1.731
   66   1H5*    A   7          1H5*        A   7   4.016  -0.847  -6.550
   67   2H5*    A   7          2H5*        A   7   3.433  -1.580  -5.063
   68    H4*    A   7           H4*        A   7   2.731  -2.421  -7.899
   69    H3*    A   7           H3*        A   7   1.512  -0.710  -5.816
   70    H2*    A   7           H2*        A   7  -0.477  -1.856  -5.541
   71   2HO*    A   7          2HO*        A   7  -0.909  -1.862  -7.813
   72    H1*    A   7           H1*        A   7   0.244  -4.428  -5.950
   73    H8     A   7           H8         A   7   3.189  -3.393  -4.006
   74   1H6     A   7          1H6         A   7  -0.457  -3.346   1.006
   75   2H6     A   7          2H6         A   7   1.230  -3.316   0.424
   76    H2     A   7           H2         A   7  -3.038  -3.731  -2.486
   77   1H5*    U   8          1H5*        U   8  -2.240   1.912  -6.824
   78   2H5*    U   8          2H5*        U   8  -1.305   1.227  -5.511
   79    H4*    U   8           H4*        U   8  -3.884   0.060  -6.675
   80    H3*    U   8           H3*        U   8  -3.116   1.565  -4.183
   81    H2*    U   8           H2*        U   8  -4.888   0.441  -2.966
   82   2HO*    U   8          2HO*        U   8  -6.037  -0.085  -5.271
   83    H1*    U   8           H1*        U   8  -3.893  -1.918  -3.627
   84    H3     U   8           H3         U   8  -2.094  -0.251   0.408
   85    H5     U   8           H5         U   8   0.819   0.117  -2.612
   86    H6     U   8           H6         U   8  -0.845  -0.382  -4.240
   87   1H5*    G   9          1H5*        G   9  -7.502   4.069  -4.187
   88   2H5*    G   9          2H5*        G   9  -5.945   3.581  -3.543
   89    H4*    G   9           H4*        G   9  -8.683   2.762  -2.474
   90    H3*    G   9           H3*        G   9  -6.393   4.469  -1.506
   91    H2*    G   9           H2*        G   9  -7.115   3.966   0.783
   92   2HO*    G   9          2HO*        G   9  -9.460   3.513  -0.023
   93    H1*    G   9           H1*        G   9  -6.821   1.378   0.327
   94    H8     G   9           H8         G   9  -4.660   2.398  -2.455
   95    H1     G   9           H1         G   9  -1.912   3.978   3.109
   96   1H2     G   9          1H2         G   9  -3.410   3.929   4.729
   97   2H2     G   9          2H2         G   9  -5.049   3.361   4.384
   98   1H5*    A  10          1H5*        A  10  -9.820   4.655   1.818
   99   2H5*    A  10          2H5*        A  10 -10.509   6.291   1.823
  100    H4*    A  10           H4*        A  10  -9.379   5.772   3.917
  101    H3*    A  10           H3*        A  10  -7.992   7.976   2.301
  102    H2*    A  10           H2*        A  10  -6.570   8.198   4.168
  103   2HO*    A  10          2HO*        A  10  -8.376   7.819   5.649
  104    H1*    A  10           H1*        A  10  -6.080   5.613   4.530
  105    H8     A  10           H8         A  10  -6.453   5.840   0.815
  106   1H6     A  10          1H6         A  10  -0.479   7.580   0.898
  107   2H6     A  10          2H6         A  10  -1.830   7.079  -0.122
  108    H2     A  10           H2         A  10  -1.993   7.776   5.015
  109   1H5*    U  11          1H5*        U  11  -8.364   9.337   6.244
  110   2H5*    U  11          2H5*        U  11  -8.879  11.020   6.228
  111    H4*    U  11           H4*        U  11  -6.756  10.729   7.429
  112    H3*    U  11           H3*        U  11  -6.536  12.278   4.823
  113    H2*    U  11           H2*        U  11  -4.319  12.780   5.550
  114   2HO*    U  11          2HO*        U  11  -4.777  13.117   7.727
  115    H1*    U  11           H1*        U  11  -3.731  10.241   6.358
  116    H3     U  11           H3         U  11  -1.348  11.053   2.561
  117    H5     U  11           H5         U  11  -5.157   9.951   1.190
  118    H6     U  11           H6         U  11  -5.971  10.013   3.469
  119   1H5*    A  12          1H5*        A  12  -4.922  16.871   6.885
  120   2H5*    A  12          2H5*        A  12  -4.393  15.869   5.534
  121    H4*    A  12           H4*        A  12  -3.137  15.907   8.319
  122    H3*    A  12           H3*        A  12  -2.484  16.994   5.608
  123    H2*    A  12           H2*        A  12  -0.118  16.703   6.036
  124   2HO*    A  12          2HO*        A  12  -0.479  16.894   8.529
  125    H1*    A  12           H1*        A  12  -0.395  14.206   6.620
  126    H8     A  12           H8         A  12  -3.437  14.320   4.496
  127   1H6     A  12          1H6         A  12   0.549  13.736  -0.249
  128   2H6     A  12          2H6         A  12  -1.164  13.654   0.209
  129    H2     A  12           H2         A  12   2.875  14.704   3.313
  130   1H5*    C  13          1H5*        C  13   1.329  18.147   7.954
  131   2H5*    C  13          2H5*        C  13   1.309  19.916   8.245
  132    H4*    C  13           H4*        C  13   3.005  19.564   6.479
  133    H3*    C  13           H3*        C  13   0.487  20.499   5.270
  134    H2*    C  13           H2*        C  13   1.862  20.561   3.378
  135   2HO*    C  13          2HO*        C  13   3.685  21.434   4.388
  136    H1*    C  13           H1*        C  13   3.159  18.166   3.762
  137   1H4     C  13          1H4         C  13  -1.568  16.408   0.074
  138   2H4     C  13          2H4         C  13  -2.805  16.739   1.301
  139    H5     C  13           H5         C  13  -2.206  17.690   3.447
  140    H6     C  13           H6         C  13  -0.386  18.356   4.854
  141   1H5*    A  14          1H5*        A  14   1.538  24.616   2.966
  142   2H5*    A  14          2H5*        A  14   1.176  22.908   2.665
  143    H4*    A  14           H4*        A  14   3.871  24.230   2.162
  144    H3*    A  14           H3*        A  14   1.616  23.621   0.322
  145    H2*    A  14           H2*        A  14   3.338  23.070  -1.351
  146   2HO*    A  14          2HO*        A  14   4.747  24.776  -0.431
  147    H1*    A  14           H1*        A  14   4.700  21.423   0.251
  148    H8     A  14           H8         A  14   1.310  20.929   1.714
  149   1H6     A  14          1H6         A  14   0.351  17.210  -3.188
  150   2H6     A  14          2H6         A  14  -0.278  17.703  -1.584
  151    H2     A  14           H2         A  14   4.030  19.379  -3.922
  152   1H5*    A  15          1H5*        A  15   4.681  25.714  -1.776
  153   2H5*    A  15          2H5*        A  15   4.020  27.100  -2.631
  154    H4*    A  15           H4*        A  15   5.414  25.508  -4.034
  155    H3*    A  15           H3*        A  15   3.296  26.972  -4.844
  156    H2*    A  15           H2*        A  15   1.684  25.327  -4.220
  157   2HO*    A  15          2HO*        A  15   1.817  25.854  -6.740
  158    H1*    A  15           H1*        A  15   3.395  23.394  -5.682
  159    H8     A  15           H8         A  15   1.670  23.543  -2.380
  160   1H6     A  15          1H6         A  15  -1.762  18.844  -4.680
  161   2H6     A  15          2H6         A  15  -1.643  19.972  -3.294
  162    H2     A  15           H2         A  15   1.543  19.686  -7.376
  163   1H5*    U  16          1H5*        U  16   3.225  25.420 -10.209
  164   2H5*    U  16          2H5*        U  16   1.738  25.244  -9.250
  165    H4*    U  16           H4*        U  16   1.926  23.460 -10.891
  166    H3*    U  16           H3*        U  16   2.274  22.837  -8.042
  167    H2*    U  16           H2*        U  16   3.038  20.589  -8.355
  168   2HO*    U  16          2HO*        U  16   1.548  20.135 -10.188
  169    H1*    U  16           H1*        U  16   4.673  21.062 -10.365
  170    H3     U  16           H3         U  16   8.330  22.760  -8.245
  171    H5     U  16           H5         U  16   5.352  22.404  -5.314
  172    H6     U  16           H6         U  16   3.762  22.177  -6.983
  173   1H5*    U  17          1H5*        U  17  -0.375  19.336 -11.804
  174   2H5*    U  17          2H5*        U  17  -1.762  19.369 -10.753
  175    H4*    U  17           H4*        U  17   0.626  17.603 -10.166
  176    H3*    U  17           H3*        U  17  -1.163  17.292 -12.400
  177    H2*    U  17           H2*        U  17  -2.826  15.835 -11.650
  178   2HO*    U  17          2HO*        U  17  -0.731  14.518 -11.058
  179    H1*    U  17           H1*        U  17  -2.676  15.936  -8.915
  180    H3     U  17           H3         U  17  -5.582  19.411  -8.105
  181    H5     U  17           H5         U  17  -4.900  19.567 -12.226
  182    H6     U  17           H6         U  17  -3.244  17.879 -12.003
  183   1H5*    U  18          1H5*        U  18   3.277  14.851 -10.812
  184   2H5*    U  18          2H5*        U  18   1.758  15.235 -10.032
  185    H4*    U  18           H4*        U  18   4.217  16.927  -9.493
  186    H3*    U  18           H3*        U  18   3.804  14.136  -8.718
  187    H2*    U  18           H2*        U  18   3.485  14.358  -6.423
  188   2HO*    U  18          2HO*        U  18   5.439  15.594  -6.125
  189    H1*    U  18           H1*        U  18   2.358  16.819  -6.208
  190    H3     U  18           H3         U  18  -1.856  15.261  -5.885
  191    H5     U  18           H5         U  18  -0.088  12.659  -8.663
  192    H6     U  18           H6         U  18   1.894  13.885  -8.484
  193   1H5*    G  19          1H5*        G  19   7.986  13.084  -5.528
  194   2H5*    G  19          2H5*        G  19   6.268  12.744  -5.370
  195    H4*    G  19           H4*        G  19   7.786  14.996  -3.993
  196    H3*    G  19           H3*        G  19   6.580  12.382  -3.052
  197    H2*    G  19           H2*        G  19   6.186  13.400  -0.945
  198   2HO*    G  19          2HO*        G  19   8.176  14.521  -0.811
  199    H1*    G  19           H1*        G  19   5.278  15.726  -1.930
  200    H8     G  19           H8         G  19   3.336  14.831  -0.383
  201    H1     G  19           H1         G  19   1.601  10.656  -4.972
  202   1H2     G  19          1H2         G  19   3.197  10.639  -6.595
  203   2H2     G  19          2H2         G  19   4.565  11.740  -6.496
  204   1H5*    A  20          1H5*        A  20   8.530   9.796   0.193
  205   2H5*    A  20          2H5*        A  20   6.781   9.825  -0.003
  206    H4*    A  20           H4*        A  20   8.528  11.660   1.680
  207    H3*    A  20           H3*        A  20   6.242   9.743   1.973
  208    H2*    A  20           H2*        A  20   5.276  10.972   3.785
  209   2HO*    A  20          2HO*        A  20   7.446  11.584   4.604
  210    H1*    A  20           H1*        A  20   5.290  13.306   2.517
  211    H8     A  20           H8         A  20   5.326  11.361  -0.519
  212   1H6     A  20          1H6         A  20  -0.703  10.126   0.404
  213   2H6     A  20          2H6         A  20   0.634  10.075  -0.746
  214    H2     A  20           H2         A  20   1.001  11.579   4.206
  215   1H5*    U  21          1H5*        U  21   7.138  10.050   5.972
  216   2H5*    U  21          2H5*        U  21   7.380   8.446   6.705
  217    H4*    U  21           H4*        U  21   5.540   9.669   7.789
  218    H3*    U  21           H3*        U  21   4.740   7.185   6.244
  219    H2*    U  21           H2*        U  21   2.507   7.591   7.098
  220   2HO*    U  21          2HO*        U  21   3.303   8.300   9.164
  221    H1*    U  21           H1*        U  21   2.412  10.180   6.478
  222    H3     U  21           H3         U  21   0.062   7.706   3.393
  223    H5     U  21           H5         U  21   3.907   8.129   1.803
  224    H6     U  21           H6         U  21   4.607   9.066   3.888
  225   1H5*    C  22          1H5*        C  22   2.712   6.802  10.035
  226   2H5*    C  22          2H5*        C  22   2.894   5.117  10.561
  227    H4*    C  22           H4*        C  22   0.530   5.776  10.365
  228    H3*    C  22           H3*        C  22   1.401   3.808   8.247
  229    H2*    C  22           H2*        C  22  -0.992   3.550   7.857
  230   2HO*    C  22          2HO*        C  22  -1.685   3.946  10.076
  231    H1*    C  22           H1*        C  22  -1.312   6.132   7.582
  232   1H4     C  22          1H4         C  22   0.481   4.037   1.906
  233   2H4     C  22          2H4         C  22   2.168   4.432   2.255
  234    H5     C  22           H5         C  22   2.903   5.127   4.451
  235    H6     C  22           H6         C  22   2.162   5.668   6.669
  236   1H5*    A  23          1H5*        A  23  -1.411   0.342  11.192
  237   2H5*    A  23          2H5*        A  23  -0.718   0.855   9.661
  238    H4*    A  23           H4*        A  23  -3.666   0.987  10.457
  239    H3*    A  23           H3*        A  23  -2.098  -0.586   8.418
  240    H2*    A  23           H2*        A  23  -4.159  -0.658   7.077
  241   2HO*    A  23          2HO*        A  23  -5.528  -0.264   9.208
  242    H1*    A  23           H1*        A  23  -4.248   1.959   7.027
  243    H8     A  23           H8         A  23  -0.622   1.647   7.798
  244   1H6     A  23          1H6         A  23   0.192   0.407   1.796
  245   2H6     A  23          2H6         A  23   0.986   0.826   3.324
  246    H2     A  23           H2         A  23  -4.079   0.022   2.659
  247   1H5*    G  24          1H5*        G  24  -6.786  -1.521   8.293
  248   2H5*    G  24          2H5*        G  24  -7.185  -3.179   8.690
  249    H4*    G  24           H4*        G  24  -7.563  -2.408   6.297
  250    H3*    G  24           H3*        G  24  -5.923  -4.873   6.860
  251    H2*    G  24           H2*        G  24  -5.839  -5.154   4.462
  252   2HO*    G  24          2HO*        G  24  -7.972  -4.299   4.038
  253    H1*    G  24           H1*        G  24  -5.013  -2.655   3.934
  254    H8     G  24           H8         G  24  -3.252  -2.443   6.960
  255    H1     G  24           H1         G  24  -0.897  -7.439   3.701
  256   1H2     G  24          1H2         G  24  -2.412  -8.111   2.188
  257   2H2     G  24          2H2         G  24  -3.876  -7.162   1.930
  258   1H5*    U  25          1H5*        U  25  -8.299  -7.585   3.197
  259   2H5*    U  25          2H5*        U  25  -7.135  -6.256   3.196
  260    H4*    U  25           H4*        U  25  -9.862  -6.183   1.842
  261    H3*    U  25           H3*        U  25  -7.074  -6.690   0.993
  262    H2*    U  25           H2*        U  25  -7.382  -5.504  -1.111
  263   2HO*    U  25          2HO*        U  25  -9.697  -6.140  -1.345
  264    H1*    U  25           H1*        U  25  -8.511  -3.429   0.026
  265    H3     U  25           H3         U  25  -4.945  -1.195   1.800
  266    H5     U  25           H5         U  25  -3.408  -4.872   0.565
  267    H6     U  25           H6         U  25  -5.665  -5.615   0.148
  268   1H5*    A  26          1H5*        A  26  -9.241  -9.542  -2.966
  269   2H5*    A  26          2H5*        A  26  -7.854  -8.898  -2.118
  270    H4*    A  26           H4*        A  26  -9.144  -7.740  -4.633
  271    H3*    A  26           H3*        A  26  -6.690  -9.306  -3.920
  272    H2*    A  26           H2*        A  26  -5.345  -8.088  -5.504
  273   2HO*    A  26          2HO*        A  26  -7.174  -7.946  -7.033
  274    H1*    A  26           H1*        A  26  -6.081  -5.683  -4.703
  275    H8     A  26           H8         A  26  -6.715  -7.372  -1.524
  276   1H6     A  26          1H6         A  26  -0.589  -7.349  -0.523
  277   2H6     A  26          2H6         A  26  -2.194  -7.607   0.173
  278    H2     A  26           H2         A  26  -1.246  -6.482  -4.784
  279   1H5*    U  27          1H5*        U  27  -6.282  -9.290  -7.993
  280   2H5*    U  27          2H5*        U  27  -6.033 -10.921  -8.652
  281    H4*    U  27           H4*        U  27  -4.139  -9.441  -9.198
  282    H3*    U  27           H3*        U  27  -3.585 -11.740  -7.318
  283    H2*    U  27           H2*        U  27  -1.258 -11.032  -7.358
  284   2HO*    U  27          2HO*        U  27  -1.446 -10.518  -9.636
  285    H1*    U  27           H1*        U  27  -1.715  -8.419  -7.017
  286    H3     U  27           H3         U  27  -0.145 -10.173  -3.099
  287    H5     U  27           H5         U  27  -4.304 -10.494  -2.855
  288    H6     U  27           H6         U  27  -4.423  -9.866  -5.166
  289   1H5*    A  28          1H5*        A  28  -0.389 -11.862  -9.994
  290   2H5*    A  28          2H5*        A  28  -0.110 -13.517 -10.551
  291    H4*    A  28           H4*        A  28   1.914 -12.658  -9.549
  292    H3*    A  28           H3*        A  28   0.582 -14.789  -7.832
  293    H2*    A  28           H2*        A  28   2.532 -14.603  -6.435
  294   2HO*    A  28          2HO*        A  28   3.957 -14.316  -8.246
  295    H1*    A  28           H1*        A  28   2.514 -11.939  -6.291
  296    H8     A  28           H8         A  28  -1.101 -12.869  -6.596
  297   1H6     A  28          1H6         A  28  -0.844 -13.879  -0.469
  298   2H6     A  28          2H6         A  28  -1.911 -13.749  -1.879
  299    H2     A  28           H2         A  28   3.268 -13.454  -1.947
  300   1H5*    U  29          1H5*        U  29   4.582 -15.926  -8.268
  301   2H5*    U  29          2H5*        U  29   4.738 -17.671  -8.511
  302    H4*    U  29           H4*        U  29   6.032 -16.918  -6.582
  303    H3*    U  29           H3*        U  29   3.688 -18.724  -5.792
  304    H2*    U  29           H2*        U  29   4.661 -18.589  -3.611
  305   2HO*    U  29          2HO*        U  29   6.821 -18.652  -4.359
  306    H1*    U  29           H1*        U  29   4.961 -15.943  -3.573
  307    H3     U  29           H3         U  29   1.305 -16.972  -1.043
  308    H5     U  29           H5         U  29  -0.187 -16.537  -4.933
  309    H6     U  29           H6         U  29   2.076 -16.415  -5.751
  310   1H5*    C  30          1H5*        C  30   7.259 -20.191  -4.158
  311   2H5*    C  30          2H5*        C  30   7.314 -21.954  -4.156
  312    H4*    C  30           H4*        C  30   7.601 -21.035  -1.899
  313    H3*    C  30           H3*        C  30   4.995 -22.596  -2.257
  314    H2*    C  30           H2*        C  30   4.798 -22.301   0.133
  315   2HO*    C  30          2HO*        C  30   7.188 -22.487   0.334
  316    H1*    C  30           H1*        C  30   5.323 -19.676   0.121
  317   1H4     C  30          1H4         C  30  -0.872 -19.799  -0.494
  318   2H4     C  30          2H4         C  30  -0.746 -19.729  -2.249
  319    H5     C  30           H5         C  30   1.364 -20.058  -3.424
  320    H6     C  30           H6         C  30   3.733 -20.271  -3.144
  321   1H5*    C  31          1H5*        C  31   6.883 -23.962   1.155
  322   2H5*    C  31          2H5*        C  31   6.901 -25.722   1.213
  323    H4*    C  31           H4*        C  31   5.862 -24.855   3.240
  324    H3*    C  31           H3*        C  31   3.878 -26.112   1.304
  325    H2*    C  31           H2*        C  31   2.276 -25.905   3.080
  326   2HO*    C  31          2HO*        C  31   3.920 -26.457   4.711
  327    H1*    C  31           H1*        C  31   3.005 -23.346   3.726
  328   1H4     C  31          1H4         C  31  -1.809 -22.833  -0.240
  329   2H4     C  31          2H4         C  31  -0.736 -22.899  -1.655
  330    H5     C  31           H5         C  31   1.636 -23.350  -1.464
  331    H6     C  31           H6         C  31   3.431 -23.771   0.080
  332    H3T    C  31           H3T        C  31   5.469 -27.517   2.112
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  -8.150 -21.217   6.037
    2   2H5*    G   1          2H5*        G   1  -7.172 -22.211   4.955
    3    H4*    G   1           H4*        G   1  -7.152 -22.435   8.001
    4    H3*    G   1           H3*        G   1  -5.462 -20.848   6.070
    5    H2*    G   1           H2*        G   1  -3.514 -21.347   7.419
    6   2HO*    G   1          2HO*        G   1  -4.685 -21.217   9.444
    7    H1*    G   1           H1*        G   1  -3.975 -23.974   7.558
    8    H8     G   1           H8         G   1  -5.539 -23.231   4.263
    9    H1     G   1           H1         G   1   0.867 -22.816   4.132
   10   1H2     G   1          1H2         G   1   1.643 -22.772   6.217
   11   2H2     G   1          2H2         G   1   0.564 -22.889   7.591
   12    H5T    G   1           H5T        G   1  -8.192 -24.057   5.947
   13   1H5*    G   2          1H5*        G   2  -4.120 -19.727   9.828
   14   2H5*    G   2          2H5*        G   2  -3.990 -17.969   9.980
   15    H4*    G   2           H4*        G   2  -1.880 -19.085  10.576
   16    H3*    G   2           H3*        G   2  -1.790 -17.402   8.059
   17    H2*    G   2           H2*        G   2   0.607 -17.866   8.055
   18   2HO*    G   2          2HO*        G   2   0.698 -17.768  10.421
   19    H1*    G   2           H1*        G   2   0.342 -20.507   8.455
   20    H8     G   2           H8         G   2  -2.682 -19.767   6.409
   21    H1     G   2           H1         G   2   2.777 -19.399   3.040
   22   1H2     G   2          1H2         G   2   4.506 -19.378   4.429
   23   2H2     G   2          2H2         G   2   4.283 -19.535   6.165
   24   1H5*    A   3          1H5*        A   3   1.561 -16.397  10.413
   25   2H5*    A   3          2H5*        A   3   1.811 -14.650  10.502
   26    H4*    A   3           H4*        A   3   3.840 -15.816   9.749
   27    H3*    A   3           H3*        A   3   2.540 -14.006   7.689
   28    H2*    A   3           H2*        A   3   4.445 -14.519   6.279
   29   2HO*    A   3          2HO*        A   3   5.909 -14.555   8.158
   30    H1*    A   3           H1*        A   3   4.350 -17.175   6.669
   31    H8     A   3           H8         A   3   0.732 -16.270   6.862
   32   1H6     A   3          1H6         A   3   0.820 -16.040   0.669
   33   2H6     A   3          2H6         A   3  -0.198 -16.030   2.108
   34    H2     A   3           H2         A   3   5.021 -16.198   2.096
   35   1H5*    U   4          1H5*        U   4   6.630 -13.132   7.718
   36   2H5*    U   4          2H5*        U   4   6.954 -11.393   7.650
   37    H4*    U   4           H4*        U   4   8.061 -12.602   5.803
   38    H3*    U   4           H3*        U   4   5.824 -10.737   4.939
   39    H2*    U   4           H2*        U   4   6.573 -11.249   2.678
   40   2HO*    U   4          2HO*        U   4   8.828 -11.309   3.303
   41    H1*    U   4           H1*        U   4   6.696 -13.927   3.086
   42    H3     U   4           H3         U   4   3.025 -12.818   0.566
   43    H5     U   4           H5         U   4   1.734 -12.641   4.555
   44    H6     U   4           H6         U   4   4.021 -12.878   5.266
   45   1H5*    A   5          1H5*        A   5   9.204  -9.893   2.593
   46   2H5*    A   5          2H5*        A   5   9.432  -8.154   2.364
   47    H4*    A   5           H4*        A   5   9.372  -9.336   0.217
   48    H3*    A   5           H3*        A   5   7.009  -7.476   0.686
   49    H2*    A   5           H2*        A   5   6.378  -7.997  -1.579
   50   2HO*    A   5          2HO*        A   5   8.588  -8.025  -2.338
   51    H1*    A   5           H1*        A   5   6.695 -10.659  -1.339
   52    H8     A   5           H8         A   5   5.560  -9.683   2.096
   53   1H6     A   5          1H6         A   5  -0.174  -9.702  -0.256
   54   2H6     A   5          2H6         A   5   0.782  -9.708   1.225
   55    H2     A   5           H2         A   5   2.686  -9.648  -3.638
   56   1H5*    U   6          1H5*        U   6   8.597  -6.594  -3.163
   57   2H5*    U   6          2H5*        U   6   8.625  -4.837  -3.394
   58    H4*    U   6           H4*        U   6   7.332  -6.027  -5.160
   59    H3*    U   6           H3*        U   6   5.764  -4.127  -3.378
   60    H2*    U   6           H2*        U   6   3.931  -4.545  -4.884
   61   2HO*    U   6          2HO*        U   6   5.143  -4.524  -6.807
   62    H1*    U   6           H1*        U   6   4.300  -7.229  -5.018
   63    H3     U   6           H3         U   6   0.529  -6.350  -2.603
   64    H5     U   6           H5         U   6   3.661  -6.243   0.190
   65    H6     U   6           H6         U   6   5.241  -6.375  -1.622
   66   1H5*    A   7          1H5*        A   7   3.982  -0.701  -6.956
   67   2H5*    A   7          2H5*        A   7   3.363  -1.409  -5.458
   68    H4*    A   7           H4*        A   7   2.900  -2.461  -8.281
   69    H3*    A   7           H3*        A   7   1.406  -0.754  -6.364
   70    H2*    A   7           H2*        A   7  -0.571  -2.040  -6.330
   71   2HO*    A   7          2HO*        A   7  -0.390  -2.271  -8.729
   72    H1*    A   7           H1*        A   7   0.473  -4.521  -6.339
   73    H8     A   7           H8         A   7   3.042  -2.959  -4.166
   74   1H6     A   7          1H6         A   7  -1.296  -2.823   0.290
   75   2H6     A   7          2H6         A   7   0.424  -2.625  -0.058
   76    H2     A   7           H2         A   7  -3.291  -3.808  -3.534
   77   1H5*    U   8          1H5*        U   8  -1.841  -1.048  -8.778
   78   2H5*    U   8          2H5*        U   8  -2.351   0.604  -9.169
   79    H4*    U   8           H4*        U   8  -4.120  -0.643  -7.996
   80    H3*    U   8           H3*        U   8  -2.943   1.691  -6.448
   81    H2*    U   8           H2*        U   8  -4.717   1.252  -4.850
   82   2HO*    U   8          2HO*        U   8  -6.292   0.757  -6.476
   83    H1*    U   8           H1*        U   8  -4.366  -1.438  -4.817
   84    H3     U   8           H3         U   8  -2.817   0.541  -0.957
   85    H5     U   8           H5         U   8   0.484   0.240  -3.547
   86    H6     U   8           H6         U   8  -1.029  -0.335  -5.334
   87   1H5*    G   9          1H5*        G   9  -7.353   2.388  -6.533
   88   2H5*    G   9          2H5*        G   9  -7.541   4.137  -6.781
   89    H4*    G   9           H4*        G   9  -8.750   3.330  -4.786
   90    H3*    G   9           H3*        G   9  -6.464   5.261  -4.233
   91    H2*    G   9           H2*        G   9  -7.226   5.193  -1.939
   92   2HO*    G   9          2HO*        G   9  -9.487   5.089  -2.601
   93    H1*    G   9           H1*        G   9  -7.383   2.517  -1.799
   94    H8     G   9           H8         G   9  -4.513   3.043  -4.204
   95    H1     G   9           H1         G   9  -3.055   4.459   1.889
   96   1H2     G   9          1H2         G   9  -4.928   4.669   3.069
   97   2H2     G   9          2H2         G   9  -6.494   4.339   2.344
   98   1H5*    A  10          1H5*        A  10  -9.933   6.546  -2.003
   99   2H5*    A  10          2H5*        A  10 -10.077   8.304  -2.154
  100    H4*    A  10           H4*        A  10 -10.048   7.523   0.204
  101    H3*    A  10           H3*        A  10  -7.788   9.362  -0.678
  102    H2*    A  10           H2*        A  10  -7.060   9.342   1.583
  103   2HO*    A  10          2HO*        A  10  -9.138   9.488   2.525
  104    H1*    A  10           H1*        A  10  -7.323   6.675   1.979
  105    H8     A  10           H8         A  10  -6.260   6.902  -1.613
  106   1H6     A  10          1H6         A  10  -0.461   7.422   0.557
  107   2H6     A  10          2H6         A  10  -1.446   7.154  -0.868
  108    H2     A  10           H2         A  10  -3.265   7.993   3.960
  109   1H5*    U  11          1H5*        U  11  -8.286  13.598   2.080
  110   2H5*    U  11          2H5*        U  11  -7.019  12.610   1.342
  111    H4*    U  11           H4*        U  11  -7.915  12.530   4.263
  112    H3*    U  11           H3*        U  11  -5.468  13.383   2.718
  113    H2*    U  11           H2*        U  11  -4.126  12.907   4.688
  114   2HO*    U  11          2HO*        U  11  -6.244  13.171   6.140
  115    H1*    U  11           H1*        U  11  -5.045  10.406   4.721
  116    H3     U  11           H3         U  11  -1.131  10.871   2.251
  117    H5     U  11           H5         U  11  -4.302  10.658  -0.499
  118    H6     U  11           H6         U  11  -5.863  10.874   1.317
  119   1H5*    A  12          1H5*        A  12  -4.570  17.190   5.903
  120   2H5*    A  12          2H5*        A  12  -4.235  16.104   4.545
  121    H4*    A  12           H4*        A  12  -2.909  15.995   7.289
  122    H3*    A  12           H3*        A  12  -2.140  17.028   4.561
  123    H2*    A  12           H2*        A  12   0.144  16.269   4.929
  124   2HO*    A  12          2HO*        A  12   0.014  16.813   7.251
  125    H1*    A  12           H1*        A  12  -0.533  13.831   5.712
  126    H8     A  12           H8         A  12  -3.425  14.484   3.492
  127   1H6     A  12          1H6         A  12   0.398  13.387  -1.279
  128   2H6     A  12          2H6         A  12  -1.283  13.528  -0.811
  129    H2     A  12           H2         A  12   2.858  13.905   2.359
  130   1H5*    C  13          1H5*        C  13   1.131  18.026   6.369
  131   2H5*    C  13          2H5*        C  13   1.428  19.776   6.370
  132    H4*    C  13           H4*        C  13   3.377  18.657   5.433
  133    H3*    C  13           H3*        C  13   1.695  20.181   3.459
  134    H2*    C  13           H2*        C  13   3.094  19.460   1.676
  135   2HO*    C  13          2HO*        C  13   4.998  19.813   3.071
  136    H1*    C  13           H1*        C  13   3.427  16.922   2.438
  137   1H4     C  13          1H4         C  13  -1.374  16.607  -1.592
  138   2H4     C  13          2H4         C  13  -2.510  16.615  -0.250
  139    H5     C  13           H5         C  13  -1.810  17.115   2.059
  140    H6     C  13           H6         C  13   0.098  17.574   3.439
  141   1H5*    A  14          1H5*        A  14   2.343  24.554   3.186
  142   2H5*    A  14          2H5*        A  14   1.267  23.591   2.174
  143    H4*    A  14           H4*        A  14   4.288  23.532   2.296
  144    H3*    A  14           H3*        A  14   2.185  23.654   0.184
  145    H2*    A  14           H2*        A  14   3.993  22.986  -1.341
  146   2HO*    A  14          2HO*        A  14   5.672  24.051  -0.034
  147    H1*    A  14           H1*        A  14   4.411  20.776   0.081
  148    H8     A  14           H8         A  14   1.225  20.789   1.416
  149   1H6     A  14          1H6         A  14  -1.393  20.082  -4.175
  150   2H6     A  14          2H6         A  14  -1.613  19.848  -2.451
  151    H2     A  14           H2         A  14   2.711  21.708  -4.725
  152   1H5*    A  15          1H5*        A  15   0.501  25.480  -1.046
  153   2H5*    A  15          2H5*        A  15   1.966  24.685  -1.633
  154    H4*    A  15           H4*        A  15   0.429  26.906  -3.029
  155    H3*    A  15           H3*        A  15   0.491  23.936  -3.123
  156    H2*    A  15           H2*        A  15   1.221  23.663  -5.219
  157   2HO*    A  15          2HO*        A  15  -0.589  24.817  -6.126
  158    H1*    A  15           H1*        A  15   2.412  26.057  -5.867
  159    H8     A  15           H8         A  15   3.393  24.016  -2.813
  160   1H6     A  15          1H6         A  15   7.427  21.252  -6.627
  161   2H6     A  15          2H6         A  15   6.990  21.474  -4.939
  162    H2     A  15           H2         A  15   4.700  23.779  -9.011
  163   1H5*    U  16          1H5*        U  16  -2.169  25.128  -6.690
  164   2H5*    U  16          2H5*        U  16  -3.400  23.858  -6.701
  165    H4*    U  16           H4*        U  16  -2.255  23.929  -8.855
  166    H3*    U  16           H3*        U  16  -1.460  21.495  -7.222
  167    H2*    U  16           H2*        U  16  -0.491  20.733  -9.241
  168   2HO*    U  16          2HO*        U  16  -2.232  21.231 -10.611
  169    H1*    U  16           H1*        U  16   0.321  23.313 -10.054
  170    H3     U  16           H3         U  16   4.176  21.004  -9.959
  171    H5     U  16           H5         U  16   2.663  20.419  -6.108
  172    H6     U  16           H6         U  16   0.793  21.871  -6.661
  173   1H5*    U  17          1H5*        U  17  -1.218  18.217  -8.535
  174   2H5*    U  17          2H5*        U  17  -2.686  17.315  -8.283
  175    H4*    U  17           H4*        U  17  -0.841  18.193  -6.005
  176    H3*    U  17           H3*        U  17  -0.592  16.033  -7.946
  177    H2*    U  17           H2*        U  17  -1.018  14.134  -6.582
  178   2HO*    U  17          2HO*        U  17   0.378  14.956  -4.835
  179    H1*    U  17           H1*        U  17  -3.020  15.009  -5.107
  180    H3     U  17           H3         U  17  -6.428  15.932  -8.183
  181    H5     U  17           H5         U  17  -3.169  14.494 -10.393
  182    H6     U  17           H6         U  17  -1.852  14.521  -8.403
  183   1H5*    U  18          1H5*        U  18   2.073  12.484  -6.277
  184   2H5*    U  18          2H5*        U  18   0.456  12.970  -5.792
  185    H4*    U  18           H4*        U  18   2.669  12.821  -3.742
  186    H3*    U  18           H3*        U  18   1.795  10.606  -5.329
  187    H2*    U  18           H2*        U  18   0.170   9.561  -4.022
  188   2HO*    U  18          2HO*        U  18   1.780   9.109  -2.417
  189    H1*    U  18           H1*        U  18  -0.635  11.462  -2.229
  190    H3     U  18           H3         U  18  -4.279  13.036  -4.386
  191    H5     U  18           H5         U  18  -2.107  11.052  -7.378
  192    H6     U  18           H6         U  18  -0.328  10.740  -5.809
  193   1H5*    G  19          1H5*        G  19   4.925   8.733  -1.445
  194   2H5*    G  19          2H5*        G  19   5.034  10.456  -1.870
  195    H4*    G  19           H4*        G  19   7.328   8.453  -2.095
  196    H3*    G  19           H3*        G  19   6.434   9.276   0.318
  197    H2*    G  19           H2*        G  19   6.257  11.573  -0.493
  198   2HO*    G  19          2HO*        G  19   8.677  11.441   0.996
  199    H1*    G  19           H1*        G  19   9.140  11.093  -1.330
  200    H8     G  19           H8         G  19   9.649  13.664  -0.776
  201    H1     G  19           H1         G  19   5.479  15.489  -5.304
  202   1H2     G  19          1H2         G  19   4.237  13.752  -5.920
  203   2H2     G  19          2H2         G  19   4.499  12.152  -5.219
  204   1H5*    A  20          1H5*        A  20   9.384  10.791   3.599
  205   2H5*    A  20          2H5*        A  20   9.385   9.107   4.156
  206    H4*    A  20           H4*        A  20   8.067  10.514   5.634
  207    H3*    A  20           H3*        A  20   6.332   8.596   4.031
  208    H2*    A  20           H2*        A  20   4.572   9.364   5.532
  209   2HO*    A  20          2HO*        A  20   6.018   9.546   7.380
  210    H1*    A  20           H1*        A  20   5.108  11.970   5.170
  211    H8     A  20           H8         A  20   6.105  10.549   1.881
  212   1H6     A  20          1H6         A  20   0.082  10.252   0.458
  213   2H6     A  20          2H6         A  20   1.704  10.117  -0.155
  214    H2     A  20           H2         A  20   0.435  11.090   4.819
  215   1H5*    U  21          1H5*        U  21   5.546   8.295   8.133
  216   2H5*    U  21          2H5*        U  21   5.259   6.631   8.657
  217    H4*    U  21           H4*        U  21   3.386   8.205   9.205
  218    H3*    U  21           H3*        U  21   2.813   5.824   7.399
  219    H2*    U  21           H2*        U  21   0.534   6.493   7.434
  220   2HO*    U  21          2HO*        U  21   0.453   7.024   9.652
  221    H1*    U  21           H1*        U  21   0.950   9.144   7.109
  222    H3     U  21           H3         U  21  -0.757   7.448   3.226
  223    H5     U  21           H5         U  21   3.404   7.067   2.871
  224    H6     U  21           H6         U  21   3.619   7.699   5.172
  225   1H5*    C  22          1H5*        C  22  -0.682   3.115   9.932
  226   2H5*    C  22          2H5*        C  22  -0.171   3.437   8.273
  227    H4*    C  22           H4*        C  22  -2.352   4.918   9.804
  228    H3*    C  22           H3*        C  22  -2.203   2.779   7.699
  229    H2*    C  22           H2*        C  22  -4.073   3.727   6.517
  230   2HO*    C  22          2HO*        C  22  -5.195   4.281   8.506
  231    H1*    C  22           H1*        C  22  -3.214   6.259   6.572
  232   1H4     C  22          1H4         C  22  -0.454   3.796   1.428
  233   2H4     C  22          2H4         C  22   1.050   3.625   2.325
  234    H5     C  22           H5         C  22   1.197   4.014   4.748
  235    H6     C  22           H6         C  22  -0.034   4.700   6.702
  236   1H5*    A  23          1H5*        A  23  -6.394   2.428   8.780
  237   2H5*    A  23          2H5*        A  23  -6.710   0.693   9.009
  238    H4*    A  23           H4*        A  23  -8.178   1.567   7.271
  239    H3*    A  23           H3*        A  23  -5.915  -0.063   6.102
  240    H2*    A  23           H2*        A  23  -7.339  -0.006   4.069
  241   2HO*    A  23          2HO*        A  23  -9.376   0.377   5.532
  242    H1*    A  23           H1*        A  23  -7.248   2.608   4.125
  243    H8     A  23           H8         A  23  -4.181   1.824   6.089
  244   1H6     A  23          1H6         A  23  -1.312   0.513   0.786
  245   2H6     A  23          2H6         A  23  -1.115   0.830   2.504
  246    H2     A  23           H2         A  23  -5.674   0.746  -0.031
  247   1H5*    G  24          1H5*        G  24 -10.950  -0.719   4.898
  248   2H5*    G  24          2H5*        G  24 -11.314  -2.453   5.111
  249    H4*    G  24           H4*        G  24 -11.402  -1.681   2.722
  250    H3*    G  24           H3*        G  24  -9.100  -3.549   3.323
  251    H2*    G  24           H2*        G  24  -8.902  -3.697   0.901
  252   2HO*    G  24          2HO*        G  24 -11.203  -3.381   0.393
  253    H1*    G  24           H1*        G  24  -8.877  -0.993   0.745
  254    H8     G  24           H8         G  24  -7.131  -1.845   4.000
  255    H1     G  24           H1         G  24  -3.646  -2.918  -1.261
  256   1H2     G  24          1H2         G  24  -5.000  -2.873  -3.062
  257   2H2     G  24          2H2         G  24  -6.701  -2.510  -2.905
  258   1H5*    U  25          1H5*        U  25 -12.050  -6.858   0.178
  259   2H5*    U  25          2H5*        U  25 -10.563  -6.398   1.023
  260    H4*    U  25           H4*        U  25 -11.248  -5.676  -1.867
  261    H3*    U  25           H3*        U  25  -9.434  -7.772  -0.648
  262    H2*    U  25           H2*        U  25  -7.934  -7.447  -2.508
  263   2HO*    U  25          2HO*        U  25  -9.519  -7.172  -4.129
  264    H1*    U  25           H1*        U  25  -7.963  -4.742  -2.369
  265    H3     U  25           H3         U  25  -4.048  -6.189  -0.518
  266    H5     U  25           H5         U  25  -6.861  -6.549   2.565
  267    H6     U  25           H6         U  25  -8.594  -5.981   0.979
  268   1H5*    A  26          1H5*        A  26  -8.779 -10.824  -5.036
  269   2H5*    A  26          2H5*        A  26  -7.678 -10.155  -3.827
  270    H4*    A  26           H4*        A  26  -8.278  -8.962  -6.570
  271    H3*    A  26           H3*        A  26  -6.055 -10.583  -5.353
  272    H2*    A  26           H2*        A  26  -4.382  -9.269  -6.450
  273   2HO*    A  26          2HO*        A  26  -5.710  -9.142  -8.428
  274    H1*    A  26           H1*        A  26  -5.447  -6.870  -5.915
  275    H8     A  26           H8         A  26  -6.388  -8.929  -2.930
  276   1H6     A  26          1H6         A  26  -0.776  -7.482  -0.723
  277   2H6     A  26          2H6         A  26  -2.328  -8.227  -0.344
  278    H2     A  26           H2         A  26  -0.887  -6.387  -5.014
  279   1H5*    U  27          1H5*        U  27  -4.633 -10.438  -9.093
  280   2H5*    U  27          2H5*        U  27  -4.125 -12.037  -9.662
  281    H4*    U  27           H4*        U  27  -2.219 -10.532  -9.676
  282    H3*    U  27           H3*        U  27  -2.049 -12.584  -7.435
  283    H2*    U  27           H2*        U  27   0.196 -11.731  -7.132
  284   2HO*    U  27          2HO*        U  27   0.553 -11.442  -9.424
  285    H1*    U  27           H1*        U  27  -0.544  -9.137  -7.189
  286    H3     U  27           H3         U  27   0.294 -10.315  -2.852
  287    H5     U  27           H5         U  27  -3.683 -11.472  -3.531
  288    H6     U  27           H6         U  27  -3.386 -10.951  -5.867
  289   1H5*    A  28          1H5*        A  28   1.499 -12.921  -9.808
  290   2H5*    A  28          2H5*        A  28   1.913 -14.630 -10.047
  291    H4*    A  28           H4*        A  28   3.841 -13.431  -9.173
  292    H3*    A  28           H3*        A  28   2.603 -15.330  -7.139
  293    H2*    A  28           H2*        A  28   4.494 -14.749  -5.748
  294   2HO*    A  28          2HO*        A  28   5.952 -14.636  -7.614
  295    H1*    A  28           H1*        A  28   4.250 -12.096  -6.102
  296    H8     A  28           H8         A  28   0.711 -13.383  -6.319
  297   1H6     A  28          1H6         A  28   0.693 -13.139  -0.136
  298   2H6     A  28          2H6         A  28  -0.294 -13.272  -1.584
  299    H2     A  28           H2         A  28   4.904 -12.728  -1.509
  300   1H5*    U  29          1H5*        U  29   6.712 -16.049  -7.287
  301   2H5*    U  29          2H5*        U  29   7.115 -17.769  -7.178
  302    H4*    U  29           H4*        U  29   8.215 -16.456  -5.401
  303    H3*    U  29           H3*        U  29   6.093 -18.391  -4.369
  304    H2*    U  29           H2*        U  29   6.952 -17.758  -2.187
  305   2HO*    U  29          2HO*        U  29   9.157 -17.614  -2.871
  306    H1*    U  29           H1*        U  29   6.892 -15.113  -2.682
  307    H3     U  29           H3         U  29   3.378 -16.230   0.015
  308    H5     U  29           H5         U  29   1.947 -16.713  -3.898
  309    H6     U  29           H6         U  29   4.190 -16.400  -4.719
  310   1H5*    C  30          1H5*        C  30   9.708 -19.000  -2.336
  311   2H5*    C  30          2H5*        C  30  10.046 -20.712  -2.042
  312    H4*    C  30           H4*        C  30  10.063 -19.404   0.053
  313    H3*    C  30           H3*        C  30   7.781 -21.418  -0.174
  314    H2*    C  30           H2*        C  30   7.355 -20.838   2.148
  315   2HO*    C  30          2HO*        C  30   9.731 -20.562   2.506
  316    H1*    C  30           H1*        C  30   7.456 -18.175   1.729
  317   1H4     C  30          1H4         C  30   1.400 -19.581   0.716
  318   2H4     C  30          2H4         C  30   1.690 -19.676  -1.015
  319    H5     C  30           H5         C  30   3.953 -19.670  -1.971
  320    H6     C  30           H6         C  30   6.283 -19.418  -1.458
  321   1H5*    C  31          1H5*        C  31   9.584 -21.924   3.522
  322   2H5*    C  31          2H5*        C  31   9.960 -23.631   3.812
  323    H4*    C  31           H4*        C  31   8.644 -22.780   5.682
  324    H3*    C  31           H3*        C  31   7.096 -24.619   3.815
  325    H2*    C  31           H2*        C  31   5.360 -24.563   5.495
  326   2HO*    C  31          2HO*        C  31   6.956 -24.568   7.264
  327    H1*    C  31           H1*        C  31   5.491 -21.851   5.818
  328   1H4     C  31          1H4         C  31   1.029 -22.873   1.495
  329   2H4     C  31          2H4         C  31   2.209 -22.786   0.190
  330    H5     C  31           H5         C  31   4.626 -22.644   0.607
  331    H6     C  31           H6         C  31   6.313 -22.501   2.321
  332    H3T    C  31           H3T        C  31   8.870 -25.568   4.874
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1  -9.655 -22.361   5.880
    2   2H5*    G   1          2H5*        G   1  -9.395 -20.725   6.524
    3    H4*    G   1           H4*        G   1  -8.027 -22.268   7.782
    4    H3*    G   1           H3*        G   1  -6.439 -20.551   5.853
    5    H2*    G   1           H2*        G   1  -4.464 -21.485   6.879
    6   2HO*    G   1          2HO*        G   1  -5.376 -21.548   9.014
    7    H1*    G   1           H1*        G   1  -5.289 -24.009   6.679
    8    H8     G   1           H8         G   1  -6.958 -22.598   3.686
    9    H1     G   1           H1         G   1  -0.571 -22.870   3.063
   10   1H2     G   1          1H2         G   1   0.332 -23.205   5.059
   11   2H2     G   1          2H2         G   1  -0.671 -23.427   6.481
   12    H5T    G   1           H5T        G   1  -8.003 -20.307   4.784
   13   1H5*    G   2          1H5*        G   2  -4.571 -20.157   9.565
   14   2H5*    G   2          2H5*        G   2  -4.239 -18.459   9.931
   15    H4*    G   2           H4*        G   2  -2.213 -19.829  10.133
   16    H3*    G   2           H3*        G   2  -2.194 -17.818   7.863
   17    H2*    G   2           H2*        G   2   0.114 -18.486   7.524
   18   2HO*    G   2          2HO*        G   2   0.482 -18.728   9.825
   19    H1*    G   2           H1*        G   2  -0.370 -21.110   7.577
   20    H8     G   2           H8         G   2  -3.518 -19.864   6.049
   21    H1     G   2           H1         G   2   1.551 -19.369   2.121
   22   1H2     G   2          1H2         G   2   3.406 -19.613   3.307
   23   2H2     G   2          2H2         G   2   3.339 -19.988   5.019
   24   1H5*    A   3          1H5*        A   3   1.482 -17.375   9.992
   25   2H5*    A   3          2H5*        A   3   1.852 -15.669  10.282
   26    H4*    A   3           H4*        A   3   3.722 -16.795   9.186
   27    H3*    A   3           H3*        A   3   2.334 -14.729   7.435
   28    H2*    A   3           H2*        A   3   4.111 -15.171   5.854
   29   2HO*    A   3          2HO*        A   3   5.717 -15.445   7.531
   30    H1*    A   3           H1*        A   3   3.863 -17.818   5.931
   31    H8     A   3           H8         A   3   0.347 -16.748   6.607
   32   1H6     A   3          1H6         A   3  -0.154 -15.781   0.520
   33   2H6     A   3          2H6         A   3  -1.006 -15.866   2.056
   34    H2     A   3           H2         A   3   4.145 -16.362   1.443
   35   1H5*    U   4          1H5*        U   4   6.476 -13.963   7.283
   36   2H5*    U   4          2H5*        U   4   6.830 -12.230   7.330
   37    H4*    U   4           H4*        U   4   7.803 -13.315   5.334
   38    H3*    U   4           H3*        U   4   5.574 -11.320   4.724
   39    H2*    U   4           H2*        U   4   6.184 -11.692   2.408
   40   2HO*    U   4          2HO*        U   4   8.455 -11.904   2.910
   41    H1*    U   4           H1*        U   4   6.173 -14.371   2.592
   42    H3     U   4           H3         U   4   2.420 -12.878   0.495
   43    H5     U   4           H5         U   4   1.426 -12.938   4.576
   44    H6     U   4           H6         U   4   3.719 -13.391   5.081
   45   1H5*    A   5          1H5*        A   5   8.750 -10.441   2.177
   46   2H5*    A   5          2H5*        A   5   9.074  -8.708   2.114
   47    H4*    A   5           H4*        A   5   8.774  -9.633  -0.116
   48    H3*    A   5           H3*        A   5   6.566  -7.693   0.679
   49    H2*    A   5           H2*        A   5   5.715  -7.950  -1.490
   50   2HO*    A   5          2HO*        A   5   7.756  -7.941  -2.536
   51    H1*    A   5           H1*        A   5   5.928 -10.629  -1.611
   52    H8     A   5           H8         A   5   5.143 -10.018   1.998
   53   1H6     A   5          1H6         A   5  -0.787  -9.823   0.157
   54   2H6     A   5          2H6         A   5   0.293  -9.945   1.547
   55    H2     A   5           H2         A   5   1.735  -9.422  -3.427
   56   1H5*    U   6          1H5*        U   6   6.907  -3.748  -2.482
   57   2H5*    U   6          2H5*        U   6   5.685  -4.628  -1.567
   58    H4*    U   6           H4*        U   6   6.452  -5.118  -4.477
   59    H3*    U   6           H3*        U   6   4.205  -3.787  -2.992
   60    H2*    U   6           H2*        U   6   2.604  -4.628  -4.585
   61   2HO*    U   6          2HO*        U   6   4.078  -4.352  -6.380
   62    H1*    U   6           H1*        U   6   3.471  -7.155  -4.541
   63    H3     U   6           H3         U   6  -0.235  -6.547  -1.848
   64    H5     U   6           H5         U   6   3.124  -6.375   0.680
   65    H6     U   6           H6         U   6   4.557  -6.327  -1.255
   66   1H5*    A   7          1H5*        A   7   3.113  -2.829  -6.909
   67   2H5*    A   7          2H5*        A   7   2.669  -1.112  -7.005
   68    H4*    A   7           H4*        A   7   0.799  -2.626  -7.624
   69    H3*    A   7           H3*        A   7   0.418  -0.938  -5.132
   70    H2*    A   7           H2*        A   7  -1.837  -1.839  -5.086
   71   2HO*    A   7          2HO*        A   7  -1.951  -1.791  -7.461
   72    H1*    A   7           H1*        A   7  -1.111  -4.396  -5.441
   73    H8     A   7           H8         A   7   1.765  -3.114  -3.459
   74   1H6     A   7          1H6         A   7  -2.049  -3.450   1.460
   75   2H6     A   7          2H6         A   7  -0.337  -3.229   0.958
   76    H2     A   7           H2         A   7  -4.466  -3.849  -2.152
   77   1H5*    U   8          1H5*        U   8  -3.267  -0.652  -7.251
   78   2H5*    U   8          2H5*        U   8  -3.746   1.051  -7.298
   79    H4*    U   8           H4*        U   8  -5.503  -0.362  -6.287
   80    H3*    U   8           H3*        U   8  -4.111   1.495  -4.364
   81    H2*    U   8           H2*        U   8  -6.006   0.936  -2.865
   82   2HO*    U   8          2HO*        U   8  -7.437   0.363  -4.865
   83    H1*    U   8           H1*        U   8  -5.485  -1.618  -3.116
   84    H3     U   8           H3         U   8  -3.529   0.067   0.711
   85    H5     U   8           H5         U   8  -0.594   0.302  -2.283
   86    H6     U   8           H6         U   8  -2.249  -0.311  -3.885
   87   1H5*    G   9          1H5*        G   9  -9.236   1.644  -3.944
   88   2H5*    G   9          2H5*        G   9  -9.601   3.346  -4.338
   89    H4*    G   9           H4*        G   9 -10.059   2.822  -1.968
   90    H3*    G   9           H3*        G   9  -7.748   4.755  -2.417
   91    H2*    G   9           H2*        G   9  -7.730   4.974  -0.012
   92   2HO*    G   9          2HO*        G   9 -10.026   4.872   0.207
   93    H1*    G   9           H1*        G   9  -7.774   2.341   0.488
   94    H8     G   9           H8         G   9  -5.911   2.903  -2.806
   95    H1     G   9           H1         G   9  -2.409   3.967   2.459
   96   1H2     G   9          1H2         G   9  -3.757   4.099   4.210
   97   2H2     G   9          2H2         G   9  -5.479   3.826   4.030
   98   1H5*    A  10          1H5*        A  10 -10.412   6.497   0.525
   99   2H5*    A  10          2H5*        A  10 -10.501   8.248   0.255
  100    H4*    A  10           H4*        A  10  -9.799   7.680   2.557
  101    H3*    A  10           H3*        A  10  -7.578   8.916   0.894
  102    H2*    A  10           H2*        A  10  -6.421   9.131   3.004
  103   2HO*    A  10          2HO*        A  10  -8.290   9.399   4.395
  104    H1*    A  10           H1*        A  10  -6.737   6.580   3.515
  105    H8     A  10           H8         A  10  -6.761   6.655  -0.240
  106   1H6     A  10          1H6         A  10  -0.581   7.101   0.170
  107   2H6     A  10          2H6         A  10  -1.950   6.866  -0.914
  108    H2     A  10           H2         A  10  -2.252   7.707   4.215
  109   1H5*    U  11          1H5*        U  11  -8.157  13.028   3.906
  110   2H5*    U  11          2H5*        U  11  -7.291  11.962   2.808
  111    H4*    U  11           H4*        U  11  -6.854  12.074   5.822
  112    H3*    U  11           H3*        U  11  -5.361  13.161   3.426
  113    H2*    U  11           H2*        U  11  -3.337  13.047   4.745
  114   2HO*    U  11          2HO*        U  11  -4.352  13.428   6.851
  115    H1*    U  11           H1*        U  11  -3.787  10.518   5.361
  116    H3     U  11           H3         U  11  -0.835  10.740   1.858
  117    H5     U  11           H5         U  11  -4.645  10.521   0.097
  118    H6     U  11           H6         U  11  -5.630  10.800   2.299
  119   1H5*    A  12          1H5*        A  12  -4.144  17.095   6.431
  120   2H5*    A  12          2H5*        A  12  -3.855  15.966   5.098
  121    H4*    A  12           H4*        A  12  -2.218  16.114   7.664
  122    H3*    A  12           H3*        A  12  -1.883  17.163   4.845
  123    H2*    A  12           H2*        A  12   0.509  16.798   5.101
  124   2HO*    A  12          2HO*        A  12   0.386  17.400   7.408
  125    H1*    A  12           H1*        A  12   0.313  14.372   6.016
  126    H8     A  12           H8         A  12  -2.694  14.668   3.806
  127   1H6     A  12          1H6         A  12   1.116  13.042  -0.787
  128   2H6     A  12          2H6         A  12  -0.567  13.281  -0.367
  129    H2     A  12           H2         A  12   3.577  13.937   2.739
  130   1H5*    C  13          1H5*        C  13   1.201  18.717   7.203
  131   2H5*    C  13          2H5*        C  13   1.179  20.507   7.094
  132    H4*    C  13           H4*        C  13   3.456  19.697   6.740
  133    H3*    C  13           H3*        C  13   2.037  20.798   4.309
  134    H2*    C  13           H2*        C  13   4.062  20.409   3.100
  135   2HO*    C  13          2HO*        C  13   5.354  21.206   4.898
  136    H1*    C  13           H1*        C  13   4.707  18.021   4.161
  137   1H4     C  13          1H4         C  13   1.855  16.643  -1.250
  138   2H4     C  13          2H4         C  13   0.280  16.644  -0.484
  139    H5     C  13           H5         C  13  -0.031  17.255   1.883
  140    H6     C  13           H6         C  13   1.071  18.092   3.801
  141   1H5*    A  14          1H5*        A  14   5.670  22.858   3.842
  142   2H5*    A  14          2H5*        A  14   5.268  24.466   3.208
  143    H4*    A  14           H4*        A  14   6.537  23.092   1.554
  144    H3*    A  14           H3*        A  14   3.718  23.704   0.712
  145    H2*    A  14           H2*        A  14   4.420  22.705  -1.367
  146   2HO*    A  14          2HO*        A  14   6.593  23.453  -1.399
  147    H1*    A  14           H1*        A  14   5.361  20.464  -0.198
  148    H8     A  14           H8         A  14   2.614  21.434   2.115
  149   1H6     A  14          1H6         A  14  -1.302  19.405  -2.231
  150   2H6     A  14          2H6         A  14  -1.153  19.936  -0.532
  151    H2     A  14           H2         A  14   2.633  19.789  -4.096
  152   1H5*    A  15          1H5*        A  15   3.852  27.202  -2.753
  153   2H5*    A  15          2H5*        A  15   2.676  27.031  -1.444
  154    H4*    A  15           H4*        A  15   1.632  26.998  -3.675
  155    H3*    A  15           H3*        A  15   0.839  25.289  -1.728
  156    H2*    A  15           H2*        A  15   2.483  23.610  -2.347
  157   2HO*    A  15          2HO*        A  15   0.033  22.937  -2.540
  158    H1*    A  15           H1*        A  15   1.489  24.016  -5.115
  159    H8     A  15           H8         A  15   4.595  23.308  -3.162
  160   1H6     A  15          1H6         A  15   6.096  19.444  -7.793
  161   2H6     A  15          2H6         A  15   6.572  20.003  -6.175
  162    H2     A  15           H2         A  15   2.346  21.501  -8.805
  163   1H5*    U  16          1H5*        U  16  -3.394  22.856  -4.514
  164   2H5*    U  16          2H5*        U  16  -2.139  21.789  -3.846
  165    H4*    U  16           H4*        U  16  -3.041  20.912  -5.958
  166    H3*    U  16           H3*        U  16  -0.172  21.635  -5.724
  167    H2*    U  16           H2*        U  16   0.242  21.512  -8.065
  168   2HO*    U  16          2HO*        U  16  -0.925  19.520  -8.348
  169    H1*    U  16           H1*        U  16  -2.061  22.520  -9.015
  170    H3     U  16           H3         U  16  -1.137  26.880  -9.291
  171    H5     U  16           H5         U  16   1.745  25.453  -6.652
  172    H6     U  16           H6         U  16   0.594  23.336  -6.536
  173   1H5*    U  17          1H5*        U  17   1.008  16.496  -7.817
  174   2H5*    U  17          2H5*        U  17   1.744  17.838  -8.673
  175    H4*    U  17           H4*        U  17  -0.982  16.808  -9.544
  176    H3*    U  17           H3*        U  17   1.484  15.340  -9.602
  177    H2*    U  17           H2*        U  17   1.912  15.293 -11.968
  178   2HO*    U  17          2HO*        U  17  -0.182  14.674 -12.530
  179    H1*    U  17           H1*        U  17   1.217  17.748 -12.637
  180    H3     U  17           H3         U  17   4.505  20.407 -10.758
  181    H5     U  17           H5         U  17   5.281  16.516  -9.431
  182    H6     U  17           H6         U  17   3.245  15.817 -10.383
  183   1H5*    U  18          1H5*        U  18   2.811  13.918  -9.786
  184   2H5*    U  18          2H5*        U  18   2.501  13.349 -11.413
  185    H4*    U  18           H4*        U  18   3.571  11.473  -9.299
  186    H3*    U  18           H3*        U  18   4.871  13.842 -10.371
  187    H2*    U  18           H2*        U  18   6.444  12.911 -11.860
  188   2HO*    U  18          2HO*        U  18   7.237  11.404 -10.265
  189    H1*    U  18           H1*        U  18   5.089  10.801 -12.835
  190    H3     U  18           H3         U  18   2.033  12.718 -15.685
  191    H5     U  18           H5         U  18   3.884  15.930 -13.738
  192    H6     U  18           H6         U  18   4.963  14.411 -12.290
  193   1H5*    G  19          1H5*        G  19   7.891  11.624  -6.629
  194   2H5*    G  19          2H5*        G  19   6.167  11.963  -6.393
  195    H4*    G  19           H4*        G  19   8.458  13.206  -4.816
  196    H3*    G  19           H3*        G  19   6.476  10.976  -4.131
  197    H2*    G  19           H2*        G  19   6.720  11.643  -1.876
  198   2HO*    G  19          2HO*        G  19   8.983  12.031  -1.986
  199    H1*    G  19           H1*        G  19   6.544  14.307  -2.381
  200    H8     G  19           H8         G  19   4.701  13.244  -0.599
  201    H1     G  19           H1         G  19   0.922  12.041  -5.646
  202   1H2     G  19          1H2         G  19   2.128  12.230  -7.553
  203   2H2     G  19          2H2         G  19   3.841  12.622  -7.442
  204   1H5*    A  20          1H5*        A  20   8.818   7.996  -0.666
  205   2H5*    A  20          2H5*        A  20   7.199   8.550  -1.065
  206    H4*    A  20           H4*        A  20   9.058   9.747   1.032
  207    H3*    A  20           H3*        A  20   6.447   8.241   0.924
  208    H2*    A  20           H2*        A  20   5.749   9.287   2.986
  209   2HO*    A  20          2HO*        A  20   8.263   9.726   3.537
  210    H1*    A  20           H1*        A  20   6.096  11.684   1.946
  211    H8     A  20           H8         A  20   5.736   9.967  -1.323
  212   1H6     A  20          1H6         A  20  -0.333   9.625  -0.229
  213   2H6     A  20          2H6         A  20   0.955   9.388  -1.387
  214    H2     A  20           H2         A  20   1.628  10.803   3.572
  215   1H5*    U  21          1H5*        U  21   7.428   5.763   5.045
  216   2H5*    U  21          2H5*        U  21   6.420   6.368   3.744
  217    H4*    U  21           H4*        U  21   6.276   7.308   6.639
  218    H3*    U  21           H3*        U  21   4.719   5.233   5.052
  219    H2*    U  21           H2*        U  21   2.755   5.875   6.219
  220   2HO*    U  21          2HO*        U  21   3.671   6.173   8.258
  221    H1*    U  21           H1*        U  21   3.045   8.495   5.896
  222    H3     U  21           H3         U  21   0.036   6.787   2.804
  223    H5     U  21           H5         U  21   3.751   6.936   0.879
  224    H6     U  21           H6         U  21   4.809   7.460   2.979
  225   1H5*    C  22          1H5*        C  22   2.561   2.445   9.078
  226   2H5*    C  22          2H5*        C  22   2.225   2.613   7.358
  227    H4*    C  22           H4*        C  22   1.117   4.332   9.616
  228    H3*    C  22           H3*        C  22   0.128   2.383   7.546
  229    H2*    C  22           H2*        C  22  -1.971   3.507   7.365
  230   2HO*    C  22          2HO*        C  22  -1.973   4.327   9.635
  231    H1*    C  22           H1*        C  22  -0.837   5.823   6.850
  232   1H4     C  22          1H4         C  22  -0.404   2.607   1.374
  233   2H4     C  22          2H4         C  22   1.297   2.426   1.649
  234    H5     C  22           H5         C  22   2.391   3.122   3.732
  235    H6     C  22           H6         C  22   2.024   4.061   5.889
  236   1H5*    A  23          1H5*        A  23  -3.575   0.992  10.776
  237   2H5*    A  23          2H5*        A  23  -2.692   1.022   9.267
  238    H4*    A  23           H4*        A  23  -5.246   2.583   9.836
  239    H3*    A  23           H3*        A  23  -4.585  -0.020   8.479
  240    H2*    A  23           H2*        A  23  -6.215   0.443   6.742
  241   2HO*    A  23          2HO*        A  23  -7.658   1.487   8.335
  242    H1*    A  23           H1*        A  23  -5.351   2.932   6.234
  243    H8     A  23           H8         A  23  -2.134   1.493   7.368
  244   1H6     A  23          1H6         A  23  -1.814  -1.402   1.884
  245   2H6     A  23          2H6         A  23  -0.931  -0.960   3.343
  246    H2     A  23           H2         A  23  -5.931   0.149   2.363
  247   1H5*    G  24          1H5*        G  24  -8.447  -0.064   7.744
  248   2H5*    G  24          2H5*        G  24  -9.270  -1.488   8.389
  249    H4*    G  24           H4*        G  24  -9.532  -1.198   5.917
  250    H3*    G  24           H3*        G  24  -8.216  -3.672   7.006
  251    H2*    G  24           H2*        G  24  -8.058  -4.462   4.752
  252   2HO*    G  24          2HO*        G  24 -10.004  -3.595   3.939
  253    H1*    G  24           H1*        G  24  -6.887  -2.313   3.761
  254    H8     G  24           H8         G  24  -5.263  -1.435   6.638
  255    H1     G  24           H1         G  24  -3.603  -7.501   5.505
  256   1H2     G  24          1H2         G  24  -5.164  -8.473   4.214
  257   2H2     G  24          2H2         G  24  -6.526  -7.539   3.650
  258   1H5*    U  25          1H5*        U  25 -10.504  -7.045   4.049
  259   2H5*    U  25          2H5*        U  25  -9.133  -5.949   3.879
  260    H4*    U  25           H4*        U  25 -11.607  -5.899   2.108
  261    H3*    U  25           H3*        U  25  -9.018  -7.360   1.958
  262    H2*    U  25           H2*        U  25  -8.668  -6.744  -0.337
  263   2HO*    U  25          2HO*        U  25 -10.804  -7.139  -0.986
  264    H1*    U  25           H1*        U  25  -9.460  -4.208  -0.199
  265    H3     U  25           H3         U  25  -5.738  -2.085   1.351
  266    H5     U  25           H5         U  25  -4.941  -6.165   1.827
  267    H6     U  25           H6         U  25  -7.218  -6.651   1.254
  268   1H5*    A  26          1H5*        A  26  -9.673 -10.620  -2.143
  269   2H5*    A  26          2H5*        A  26  -8.309  -9.851  -1.362
  270    H4*    A  26           H4*        A  26  -9.839  -8.816  -3.785
  271    H3*    A  26           H3*        A  26  -7.182 -10.074  -3.195
  272    H2*    A  26           H2*        A  26  -6.033  -8.664  -4.759
  273   2HO*    A  26          2HO*        A  26  -7.893  -8.711  -6.257
  274    H1*    A  26           H1*        A  26  -7.065  -6.384  -3.893
  275    H8     A  26           H8         A  26  -7.363  -8.242  -0.735
  276   1H6     A  26          1H6         A  26  -1.262  -7.449   0.074
  277   2H6     A  26          2H6         A  26  -2.764  -7.994   0.808
  278    H2     A  26           H2         A  26  -2.214  -6.408  -4.110
  279   1H5*    U  27          1H5*        U  27  -6.820 -10.163  -7.251
  280   2H5*    U  27          2H5*        U  27  -6.392 -11.784  -7.842
  281    H4*    U  27           H4*        U  27  -4.667 -10.145  -8.443
  282    H3*    U  27           H3*        U  27  -3.803 -12.214  -6.392
  283    H2*    U  27           H2*        U  27  -1.611 -11.219  -6.560
  284   2HO*    U  27          2HO*        U  27  -1.806 -10.880  -8.843
  285    H1*    U  27           H1*        U  27  -2.428  -8.676  -6.357
  286    H3     U  27           H3         U  27  -0.623 -10.095  -2.379
  287    H5     U  27           H5         U  27  -4.718 -10.905  -2.098
  288    H6     U  27           H6         U  27  -4.927 -10.351  -4.428
  289   1H5*    A  28          1H5*        A  28  -0.793 -12.097  -9.402
  290   2H5*    A  28          2H5*        A  28  -0.375 -13.741  -9.908
  291    H4*    A  28           H4*        A  28   1.647 -12.531  -9.296
  292    H3*    A  28           H3*        A  28   0.865 -14.738  -7.366
  293    H2*    A  28           H2*        A  28   2.914 -14.236  -6.198
  294   2HO*    A  28          2HO*        A  28   4.038 -13.850  -8.259
  295    H1*    A  28           H1*        A  28   2.621 -11.567  -6.214
  296    H8     A  28           H8         A  28  -0.877 -12.877  -5.860
  297   1H6     A  28          1H6         A  28   0.338 -13.144   0.211
  298   2H6     A  28          2H6         A  28  -0.890 -13.208  -1.025
  299    H2     A  28           H2         A  28   4.200 -12.674  -1.925
  300   1H5*    U  29          1H5*        U  29   4.897 -15.292  -7.987
  301   2H5*    U  29          2H5*        U  29   5.318 -16.996  -8.169
  302    H4*    U  29           H4*        U  29   6.540 -16.001  -6.315
  303    H3*    U  29           H3*        U  29   4.430 -17.989  -5.355
  304    H2*    U  29           H2*        U  29   5.506 -17.670  -3.212
  305   2HO*    U  29          2HO*        U  29   7.635 -17.525  -4.109
  306    H1*    U  29           H1*        U  29   5.533 -14.989  -3.345
  307    H3     U  29           H3         U  29   2.172 -16.193  -0.501
  308    H5     U  29           H5         U  29   0.441 -16.291  -4.324
  309    H6     U  29           H6         U  29   2.634 -16.006  -5.290
  310   1H5*    C  30          1H5*        C  30   8.143 -19.023  -3.705
  311   2H5*    C  30          2H5*        C  30   8.373 -20.772  -3.613
  312    H4*    C  30           H4*        C  30   8.596 -19.695  -1.404
  313    H3*    C  30           H3*        C  30   6.158 -21.540  -1.646
  314    H2*    C  30           H2*        C  30   5.935 -21.143   0.721
  315   2HO*    C  30          2HO*        C  30   8.317 -21.053   0.953
  316    H1*    C  30           H1*        C  30   6.199 -18.467   0.548
  317   1H4     C  30          1H4         C  30   0.018 -19.335  -0.086
  318   2H4     C  30          2H4         C  30   0.161 -19.345  -1.839
  319    H5     C  30           H5         C  30   2.326 -19.430  -2.973
  320    H6     C  30           H6         C  30   4.698 -19.371  -2.649
  321   1H5*    C  31          1H5*        C  31   8.132 -22.493   1.838
  322   2H5*    C  31          2H5*        C  31   8.394 -24.232   1.962
  323    H4*    C  31           H4*        C  31   7.253 -23.453   3.966
  324    H3*    C  31           H3*        C  31   5.446 -25.011   2.068
  325    H2*    C  31           H2*        C  31   3.847 -24.983   3.868
  326   2HO*    C  31          2HO*        C  31   5.537 -25.246   5.516
  327    H1*    C  31           H1*        C  31   4.216 -22.324   4.410
  328   1H4     C  31          1H4         C  31  -0.633 -22.618   0.448
  329   2H4     C  31          2H4         C  31   0.440 -22.505  -0.956
  330    H5     C  31           H5         C  31   2.875 -22.604  -0.753
  331    H6     C  31           H6         C  31   4.708 -22.717   0.790
  332    H3T    C  31           H3T        C  31   7.219 -26.171   2.904
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  -7.684 -21.858   7.568
    2   2H5*    G   1          2H5*        G   1  -7.258 -20.205   8.046
    3    H4*    G   1           H4*        G   1  -5.532 -21.674   8.836
    4    H3*    G   1           H3*        G   1  -4.665 -20.052   6.436
    5    H2*    G   1           H2*        G   1  -2.464 -20.940   6.802
    6   2HO*    G   1          2HO*        G   1  -2.645 -20.905   9.112
    7    H1*    G   1           H1*        G   1  -3.264 -23.469   6.968
    8    H8     G   1           H8         G   1  -5.861 -22.184   4.653
    9    H1     G   1           H1         G   1  -0.035 -22.434   1.943
   10   1H2     G   1          1H2         G   1   1.478 -22.674   3.542
   11   2H2     G   1          2H2         G   1   0.986 -22.837   5.229
   12    H5T    G   1           H5T        G   1  -6.522 -19.831   5.923
   13   1H5*    G   2          1H5*        G   2  -1.737 -19.449   9.330
   14   2H5*    G   2          2H5*        G   2  -1.347 -17.732   9.479
   15    H4*    G   2           H4*        G   2   0.665 -19.066   9.110
   16    H3*    G   2           H3*        G   2  -0.058 -17.203   6.841
   17    H2*    G   2           H2*        G   2   2.047 -17.896   5.838
   18   2HO*    G   2          2HO*        G   2   3.081 -18.017   7.946
   19    H1*    G   2           H1*        G   2   1.649 -20.501   6.160
   20    H8     G   2           H8         G   2  -1.849 -19.350   5.651
   21    H1     G   2           H1         G   2   1.713 -19.037   0.302
   22   1H2     G   2          1H2         G   2   3.841 -19.204   0.836
   23   2H2     G   2          2H2         G   2   4.326 -19.493   2.509
   24   1H5*    A   3          1H5*        A   3   4.071 -16.734   7.622
   25   2H5*    A   3          2H5*        A   3   4.533 -15.034   7.698
   26    H4*    A   3           H4*        A   3   5.917 -16.270   6.101
   27    H3*    A   3           H3*        A   3   4.117 -14.160   4.872
   28    H2*    A   3           H2*        A   3   5.175 -14.691   2.787
   29   2HO*    A   3          2HO*        A   3   7.259 -15.025   3.885
   30    H1*    A   3           H1*        A   3   4.958 -17.336   2.997
   31    H8     A   3           H8         A   3   1.875 -16.190   4.758
   32   1H6     A   3          1H6         A   3  -0.557 -15.436  -0.913
   33   2H6     A   3          2H6         A   3  -0.873 -15.453   0.837
   34    H2     A   3           H2         A   3   3.788 -16.015  -1.381
   35   1H5*    U   4          1H5*        U   4   7.913 -13.630   3.232
   36   2H5*    U   4          2H5*        U   4   8.354 -11.927   3.114
   37    H4*    U   4           H4*        U   4   8.425 -13.016   0.934
   38    H3*    U   4           H3*        U   4   6.198 -10.944   1.124
   39    H2*    U   4           H2*        U   4   5.988 -11.339  -1.245
   40   2HO*    U   4          2HO*        U   4   8.272 -11.596  -1.543
   41    H1*    U   4           H1*        U   4   5.949 -14.013  -1.045
   42    H3     U   4           H3         U   4   1.704 -12.433  -1.764
   43    H5     U   4           H5         U   4   2.169 -12.502   2.406
   44    H6     U   4           H6         U   4   4.511 -12.920   2.114
   45   1H5*    A   5          1H5*        A   5   8.554 -10.076  -2.246
   46   2H5*    A   5          2H5*        A   5   8.847  -8.339  -2.377
   47    H4*    A   5           H4*        A   5   7.930  -9.195  -4.434
   48    H3*    A   5           H3*        A   5   5.958  -7.393  -3.019
   49    H2*    A   5           H2*        A   5   4.586  -7.600  -4.921
   50   2HO*    A   5          2HO*        A   5   6.283  -7.503  -6.435
   51    H1*    A   5           H1*        A   5   4.758 -10.252  -5.078
   52    H8     A   5           H8         A   5   5.073  -9.604  -1.388
   53   1H6     A   5          1H6         A   5  -1.118  -9.549  -1.400
   54   2H6     A   5          2H6         A   5   0.336  -9.658  -0.404
   55    H2     A   5           H2         A   5   0.216  -9.171  -5.587
   56   1H5*    U   6          1H5*        U   6   5.437  -3.305  -6.158
   57   2H5*    U   6          2H5*        U   6   4.428  -4.099  -4.961
   58    H4*    U   6           H4*        U   6   4.465  -4.616  -7.968
   59    H3*    U   6           H3*        U   6   2.686  -3.360  -5.923
   60    H2*    U   6           H2*        U   6   0.694  -4.227  -6.919
   61   2HO*    U   6          2HO*        U   6   1.632  -3.938  -9.100
   62    H1*    U   6           H1*        U   6   1.547  -6.729  -7.164
   63    H3     U   6           H3         U   6  -1.069  -6.276  -3.444
   64    H5     U   6           H5         U   6   2.891  -6.028  -2.083
   65    H6     U   6           H6         U   6   3.629  -5.891  -4.382
   66   1H5*    A   7          1H5*        A   7   0.221  -2.576  -9.084
   67   2H5*    A   7          2H5*        A   7  -0.056  -0.829  -9.171
   68    H4*    A   7           H4*        A   7  -2.159  -2.056  -8.938
   69    H3*    A   7           H3*        A   7  -1.436  -0.243  -6.607
   70    H2*    A   7           H2*        A   7  -3.430  -0.848  -5.597
   71   2HO*    A   7          2HO*        A   7  -4.676  -0.671  -7.526
   72    H1*    A   7           H1*        A   7  -3.436  -3.487  -6.208
   73    H8     A   7           H8         A   7   0.135  -2.781  -5.424
   74   1H6     A   7          1H6         A   7  -1.549  -3.095   0.534
   75   2H6     A   7          2H6         A   7  -0.188  -3.028  -0.601
   76    H2     A   7           H2         A   7  -5.214  -3.084  -1.846
   77   1H5*    U   8          1H5*        U   8  -4.958   3.220  -6.149
   78   2H5*    U   8          2H5*        U   8  -3.782   2.311  -5.213
   79    H4*    U   8           H4*        U   8  -6.741   1.638  -5.549
   80    H3*    U   8           H3*        U   8  -4.969   2.592  -3.305
   81    H2*    U   8           H2*        U   8  -6.550   1.537  -1.748
   82   2HO*    U   8          2HO*        U   8  -8.378   1.687  -3.532
   83    H1*    U   8           H1*        U   8  -6.202  -0.783  -2.914
   84    H3     U   8           H3         U   8  -3.126  -0.067   0.546
   85    H5     U   8           H5         U   8  -1.116   0.689  -3.068
   86    H6     U   8           H6         U   8  -3.222   0.588  -4.212
   87   1H5*    G   9          1H5*        G   9  -9.762   2.555  -1.868
   88   2H5*    G   9          2H5*        G   9 -10.204   4.275  -1.683
   89    H4*    G   9           H4*        G   9 -10.204   3.118   0.477
   90    H3*    G   9           H3*        G   9  -7.952   5.139   0.168
   91    H2*    G   9           H2*        G   9  -7.489   4.673   2.478
   92   2HO*    G   9          2HO*        G   9  -9.741   4.512   3.020
   93    H1*    G   9           H1*        G   9  -7.556   2.008   2.237
   94    H8     G   9           H8         G   9  -6.189   3.336  -1.095
   95    H1     G   9           H1         G   9  -1.889   3.275   3.687
   96   1H2     G   9          1H2         G   9  -2.939   3.046   5.610
   97   2H2     G   9          2H2         G   9  -4.687   2.715   5.634
   98   1H5*    A  10          1H5*        A  10 -10.059   6.013   3.824
   99   2H5*    A  10          2H5*        A  10 -10.142   7.773   4.041
  100    H4*    A  10           H4*        A  10  -9.124   6.607   5.961
  101    H3*    A  10           H3*        A  10  -7.282   8.520   4.483
  102    H2*    A  10           H2*        A  10  -5.704   8.023   6.248
  103   2HO*    A  10          2HO*        A  10  -7.383   7.909   7.858
  104    H1*    A  10           H1*        A  10  -5.939   5.404   6.119
  105    H8     A  10           H8         A  10  -6.568   6.409   2.564
  106   1H6     A  10          1H6         A  10  -0.389   6.632   2.069
  107   2H6     A  10          2H6         A  10  -1.929   6.620   1.212
  108    H2     A  10           H2         A  10  -1.375   6.437   6.363
  109   1H5*    U  11          1H5*        U  11  -7.072   9.233   8.692
  110   2H5*    U  11          2H5*        U  11  -7.062  10.975   9.003
  111    H4*    U  11           H4*        U  11  -5.059   9.827   9.955
  112    H3*    U  11           H3*        U  11  -4.679  11.887   7.790
  113    H2*    U  11           H2*        U  11  -2.326  11.617   8.090
  114   2HO*    U  11          2HO*        U  11  -2.364  11.545  10.353
  115    H1*    U  11           H1*        U  11  -2.304   8.916   8.290
  116    H3     U  11           H3         U  11  -0.361   9.983   4.310
  117    H5     U  11           H5         U  11  -4.464  10.066   3.509
  118    H6     U  11           H6         U  11  -4.873   9.801   5.860
  119   1H5*    A  12          1H5*        A  12  -1.710  15.391  10.357
  120   2H5*    A  12          2H5*        A  12  -1.683  14.721   8.740
  121    H4*    A  12           H4*        A  12   0.084  13.888  11.083
  122    H3*    A  12           H3*        A  12   0.312  15.532   8.605
  123    H2*    A  12           H2*        A  12   2.484  14.666   8.047
  124   2HO*    A  12          2HO*        A  12   2.994  14.633  10.423
  125    H1*    A  12           H1*        A  12   1.936  12.143   8.423
  126    H8     A  12           H8         A  12  -1.461  13.260   7.395
  127   1H6     A  12          1H6         A  12   0.652  12.646   1.594
  128   2H6     A  12          2H6         A  12  -0.816  12.740   2.591
  129    H2     A  12           H2         A  12   4.122  12.800   4.248
  130   1H5*    C  13          1H5*        C  13   4.094  15.990   9.619
  131   2H5*    C  13          2H5*        C  13   4.537  17.712   9.856
  132    H4*    C  13           H4*        C  13   5.894  16.873   8.040
  133    H3*    C  13           H3*        C  13   3.689  18.637   7.079
  134    H2*    C  13           H2*        C  13   4.454  18.211   4.897
  135   2HO*    C  13          2HO*        C  13   6.654  18.466   5.320
  136    H1*    C  13           H1*        C  13   4.990  15.587   5.072
  137   1H4     C  13          1H4         C  13  -0.804  15.834   2.707
  138   2H4     C  13          2H4         C  13  -1.528  15.906   4.328
  139    H5     C  13           H5         C  13  -0.177  16.226   6.306
  140    H6     C  13           H6         C  13   2.069  16.436   7.086
  141   1H5*    A  14          1H5*        A  14   5.768  22.178   4.090
  142   2H5*    A  14          2H5*        A  14   4.264  21.337   4.428
  143    H4*    A  14           H4*        A  14   6.396  20.481   2.428
  144    H3*    A  14           H3*        A  14   3.568  21.483   2.368
  145    H2*    A  14           H2*        A  14   3.060  20.078   0.416
  146   2HO*    A  14          2HO*        A  14   5.712  19.886   0.111
  147    H1*    A  14           H1*        A  14   3.731  17.978   1.622
  148    H8     A  14           H8         A  14   3.128  19.692   4.836
  149   1H6     A  14          1H6         A  14  -2.911  19.204   3.535
  150   2H6     A  14          2H6         A  14  -1.706  19.590   4.791
  151    H2     A  14           H2         A  14  -0.735  18.245  -0.111
  152   1H5*    A  15          1H5*        A  15   5.712  19.892  -1.880
  153   2H5*    A  15          2H5*        A  15   5.993  21.163  -3.041
  154    H4*    A  15           H4*        A  15   4.276  19.404  -3.671
  155    H3*    A  15           H3*        A  15   4.281  22.042  -4.408
  156    H2*    A  15           H2*        A  15   3.107  22.667  -2.429
  157   2HO*    A  15          2HO*        A  15   2.025  23.062  -4.788
  158    H1*    A  15           H1*        A  15   1.145  20.471  -3.222
  159    H8     A  15           H8         A  15   2.761  22.143  -0.182
  160   1H6     A  15          1H6         A  15  -3.027  22.449   2.043
  161   2H6     A  15          2H6         A  15  -1.327  22.876   2.344
  162    H2     A  15           H2         A  15  -3.136  20.405  -1.825
  163   1H5*    U  16          1H5*        U  16  -0.007  19.507  -5.634
  164   2H5*    U  16          2H5*        U  16  -0.034  20.038  -7.324
  165    H4*    U  16           H4*        U  16  -2.296  20.105  -6.701
  166    H3*    U  16           H3*        U  16  -1.024  22.849  -6.603
  167    H2*    U  16           H2*        U  16  -2.871  23.786  -5.786
  168   2HO*    U  16          2HO*        U  16  -4.140  22.803  -7.564
  169    H1*    U  16           H1*        U  16  -4.038  21.546  -4.506
  170    H3     U  16           H3         U  16  -3.837  24.635  -1.162
  171    H5     U  16           H5         U  16   0.145  24.228  -2.419
  172    H6     U  16           H6         U  16  -0.558  22.712  -4.075
  173   1H5*    U  17          1H5*        U  17   0.294  21.765  -8.588
  174   2H5*    U  17          2H5*        U  17   1.374  22.659  -9.604
  175    H4*    U  17           H4*        U  17  -1.092  21.333 -10.820
  176    H3*    U  17           H3*        U  17   1.100  19.961  -9.537
  177    H2*    U  17           H2*        U  17   2.244  19.127 -11.383
  178   2HO*    U  17          2HO*        U  17   0.437  18.208 -12.340
  179    H1*    U  17           H1*        U  17   2.031  21.039 -13.171
  180    H3     U  17           H3         U  17   4.925  24.290 -11.676
  181    H5     U  17           H5         U  17   4.823  21.396  -8.654
  182    H6     U  17           H6         U  17   3.060  20.306  -9.787
  183   1H5*    U  18          1H5*        U  18   2.746  17.899  -8.190
  184   2H5*    U  18          2H5*        U  18   2.499  17.778  -9.897
  185    H4*    U  18           H4*        U  18   2.195  15.347  -8.102
  186    H3*    U  18           H3*        U  18   4.653  16.741  -8.655
  187    H2*    U  18           H2*        U  18   5.664  15.458 -10.328
  188   2HO*    U  18          2HO*        U  18   5.554  13.531  -9.000
  189    H1*    U  18           H1*        U  18   3.560  14.276 -11.572
  190    H3     U  18           H3         U  18   2.946  17.241 -14.898
  191    H5     U  18           H5         U  18   4.893  19.475 -11.930
  192    H6     U  18           H6         U  18   4.682  17.648 -10.463
  193   1H5*    G  19          1H5*        G  19   6.835  12.783  -5.401
  194   2H5*    G  19          2H5*        G  19   5.070  12.955  -5.226
  195    H4*    G  19           H4*        G  19   7.069  14.137  -3.277
  196    H3*    G  19           H3*        G  19   5.783  11.373  -3.018
  197    H2*    G  19           H2*        G  19   5.930  11.728  -0.744
  198   2HO*    G  19          2HO*        G  19   8.078  12.520  -0.858
  199    H1*    G  19           H1*        G  19   5.351  14.455  -0.832
  200    H8     G  19           H8         G  19   3.219  14.319   0.608
  201    H1     G  19           H1         G  19   0.830   9.366  -2.735
  202   1H2     G  19          1H2         G  19   2.338   8.731  -4.322
  203   2H2     G  19          2H2         G  19   3.862   9.611  -4.417
  204   1H5*    A  20          1H5*        A  20   8.616   8.338  -0.407
  205   2H5*    A  20          2H5*        A  20   6.956   8.902  -0.535
  206    H4*    A  20           H4*        A  20   9.020   9.909   1.466
  207    H3*    A  20           H3*        A  20   6.711   7.984   1.569
  208    H2*    A  20           H2*        A  20   6.130   8.791   3.774
  209   2HO*    A  20          2HO*        A  20   8.434   9.125   4.323
  210    H1*    A  20           H1*        A  20   6.110  11.361   3.094
  211    H8     A  20           H8         A  20   5.286   9.968  -0.260
  212   1H6     A  20          1H6         A  20  -0.455   9.179   1.976
  213   2H6     A  20          2H6         A  20   0.502   9.231   0.517
  214    H2     A  20           H2         A  20   2.193   9.800   5.396
  215   1H5*    U  21          1H5*        U  21   8.228   7.737   5.411
  216   2H5*    U  21          2H5*        U  21   8.493   6.051   5.886
  217    H4*    U  21           H4*        U  21   6.989   7.224   7.445
  218    H3*    U  21           H3*        U  21   5.751   4.916   5.898
  219    H2*    U  21           H2*        U  21   3.802   5.284   7.111
  220   2HO*    U  21          2HO*        U  21   4.776   5.600   9.122
  221    H1*    U  21           H1*        U  21   3.724   7.970   6.970
  222    H3     U  21           H3         U  21   0.494   6.227   4.242
  223    H5     U  21           H5         U  21   3.942   6.440   1.871
  224    H6     U  21           H6         U  21   5.199   7.008   3.814
  225   1H5*    C  22          1H5*        C  22   4.096   1.789   9.585
  226   2H5*    C  22          2H5*        C  22   3.746   2.201   7.917
  227    H4*    C  22           H4*        C  22   2.509   3.507  10.381
  228    H3*    C  22           H3*        C  22   1.709   1.455   8.355
  229    H2*    C  22           H2*        C  22  -0.527   2.302   8.234
  230   2HO*    C  22          2HO*        C  22  -0.540   2.747  10.540
  231    H1*    C  22           H1*        C  22   0.141   4.877   7.982
  232   1H4     C  22          1H4         C  22   0.168   2.879   2.053
  233   2H4     C  22          2H4         C  22   1.932   2.759   2.093
  234    H5     C  22           H5         C  22   3.223   3.054   4.153
  235    H6     C  22           H6         C  22   3.068   3.507   6.494
  236   1H5*    A  23          1H5*        A  23  -1.661   1.156  10.951
  237   2H5*    A  23          2H5*        A  23  -1.874  -0.567  11.324
  238    H4*    A  23           H4*        A  23  -3.876   0.392  10.262
  239    H3*    A  23           H3*        A  23  -2.385  -1.719   8.700
  240    H2*    A  23           H2*        A  23  -4.209  -1.553   7.073
  241   2HO*    A  23          2HO*        A  23  -5.764  -1.200   8.874
  242    H1*    A  23           H1*        A  23  -4.218   1.085   6.950
  243    H8     A  23           H8         A  23  -0.595   0.428   7.505
  244   1H6     A  23          1H6         A  23  -0.442  -0.843   1.441
  245   2H6     A  23          2H6         A  23   0.543  -0.575   2.897
  246    H2     A  23           H2         A  23  -4.630  -0.982   2.723
  247   1H5*    G  24          1H5*        G  24  -6.095  -2.649   7.618
  248   2H5*    G  24          2H5*        G  24  -6.604  -4.130   8.433
  249    H4*    G  24           H4*        G  24  -7.112  -4.237   6.082
  250    H3*    G  24           H3*        G  24  -5.641  -6.091   7.550
  251    H2*    G  24           H2*        G  24  -3.610  -5.904   6.699
  252   2HO*    G  24          2HO*        G  24  -5.142  -7.489   5.042
  253    H1*    G  24           H1*        G  24  -4.484  -5.134   3.944
  254    H8     G  24           H8         G  24  -3.005  -3.303   6.879
  255    H1     G  24           H1         G  24   1.099  -4.426   2.050
  256   1H2     G  24          1H2         G  24   0.012  -5.776   0.525
  257   2H2     G  24          2H2         G  24  -1.621  -6.284   0.914
  258   1H5*    U  25          1H5*        U  25  -9.737  -7.145   3.719
  259   2H5*    U  25          2H5*        U  25  -8.070  -6.735   3.311
  260    H4*    U  25           H4*        U  25 -10.415  -4.794   3.108
  261    H3*    U  25           H3*        U  25  -9.761  -6.994   1.382
  262    H2*    U  25           H2*        U  25  -8.633  -5.991  -0.393
  263   2HO*    U  25          2HO*        U  25 -10.515  -4.684  -0.799
  264    H1*    U  25           H1*        U  25  -7.685  -3.658   0.625
  265    H3     U  25           H3         U  25  -3.517  -4.983   1.559
  266    H5     U  25           H5         U  25  -5.618  -8.589   1.334
  267    H6     U  25           H6         U  25  -7.679  -7.332   1.201
  268   1H5*    A  26          1H5*        A  26 -11.146  -8.339  -2.103
  269   2H5*    A  26          2H5*        A  26  -9.723  -7.693  -1.290
  270    H4*    A  26           H4*        A  26 -10.788  -6.669  -3.958
  271    H3*    A  26           H3*        A  26  -8.720  -8.773  -3.283
  272    H2*    A  26           H2*        A  26  -7.472  -8.043  -5.181
  273   2HO*    A  26          2HO*        A  26  -9.497  -7.658  -6.403
  274    H1*    A  26           H1*        A  26  -7.647  -5.417  -4.658
  275    H8     A  26           H8         A  26  -7.590  -7.482  -1.503
  276   1H6     A  26          1H6         A  26  -2.604  -7.225  -0.827
  277   2H6     A  26          2H6         A  26  -1.393  -6.635  -1.872
  278    H2     A  26           H2         A  26  -3.101  -5.491  -5.636
  279   1H5*    U  27          1H5*        U  27  -9.038  -8.992  -7.377
  280   2H5*    U  27          2H5*        U  27  -8.971 -10.656  -7.956
  281    H4*    U  27           H4*        U  27  -7.170  -9.304  -8.913
  282    H3*    U  27           H3*        U  27  -6.190 -11.457  -7.011
  283    H2*    U  27           H2*        U  27  -3.981 -10.808  -7.771
  284   2HO*    U  27          2HO*        U  27  -4.698 -10.433  -9.944
  285    H1*    U  27           H1*        U  27  -4.365  -8.176  -7.476
  286    H3     U  27           H3         U  27  -1.781  -9.589  -3.986
  287    H5     U  27           H5         U  27  -5.724 -10.308  -2.756
  288    H6     U  27           H6         U  27  -6.468  -9.796  -4.976
  289   1H5*    A  28          1H5*        A  28  -4.070 -11.859 -10.672
  290   2H5*    A  28          2H5*        A  28  -3.874 -13.564 -11.099
  291    H4*    A  28           H4*        A  28  -1.714 -12.432 -11.030
  292    H3*    A  28           H3*        A  28  -2.071 -14.489  -8.821
  293    H2*    A  28           H2*        A  28   0.216 -14.035  -8.281
  294   2HO*    A  28          2HO*        A  28   0.768 -13.788 -10.582
  295    H1*    A  28           H1*        A  28  -0.005 -11.365  -8.310
  296    H8     A  28           H8         A  28  -3.363 -12.563  -7.120
  297   1H6     A  28          1H6         A  28  -0.697 -12.884  -1.526
  298   2H6     A  28          2H6         A  28  -2.214 -12.987  -2.427
  299    H2     A  28           H2         A  28   2.506 -12.348  -4.494
  300   1H5*    U  29          1H5*        U  29   1.591 -15.270 -10.602
  301   2H5*    U  29          2H5*        U  29   1.890 -17.000 -10.774
  302    H4*    U  29           H4*        U  29   3.656 -15.914  -9.487
  303    H3*    U  29           H3*        U  29   1.995 -17.839  -7.805
  304    H2*    U  29           H2*        U  29   3.661 -17.404  -6.122
  305   2HO*    U  29          2HO*        U  29   5.402 -17.320  -7.631
  306    H1*    U  29           H1*        U  29   3.613 -14.744  -6.371
  307    H3     U  29           H3         U  29   1.310 -15.870  -2.594
  308    H5     U  29           H5         U  29  -1.527 -16.068  -5.674
  309    H6     U  29           H6         U  29   0.230 -15.774  -7.284
  310   1H5*    C  30          1H5*        C  30   6.021 -18.844  -7.389
  311   2H5*    C  30          2H5*        C  30   6.265 -20.593  -7.347
  312    H4*    C  30           H4*        C  30   7.193 -19.506  -5.362
  313    H3*    C  30           H3*        C  30   4.799 -21.292  -4.741
  314    H2*    C  30           H2*        C  30   5.378 -20.869  -2.448
  315   2HO*    C  30          2HO*        C  30   7.715 -20.824  -3.066
  316    H1*    C  30           H1*        C  30   5.609 -18.204  -2.733
  317   1H4     C  30          1H4         C  30  -0.390 -19.092  -1.219
  318   2H4     C  30          2H4         C  30  -0.873 -19.037  -2.921
  319    H5     C  30           H5         C  30   0.754 -19.149  -4.730
  320    H6     C  30           H6         C  30   3.102 -19.096  -5.243
  321   1H5*    C  31          1H5*        C  31   7.791 -22.272  -2.092
  322   2H5*    C  31          2H5*        C  31   8.019 -24.019  -2.021
  323    H4*    C  31           H4*        C  31   7.624 -23.161   0.224
  324    H3*    C  31           H3*        C  31   5.260 -24.704  -0.914
  325    H2*    C  31           H2*        C  31   4.337 -24.579   1.295
  326   2HO*    C  31          2HO*        C  31   6.469 -24.857   2.300
  327    H1*    C  31           H1*        C  31   4.922 -21.926   1.606
  328   1H4     C  31          1H4         C  31  -0.957 -22.244  -0.514
  329   2H4     C  31          2H4         C  31  -0.420 -22.182  -2.208
  330    H5     C  31           H5         C  31   1.947 -22.290  -2.824
  331    H6     C  31           H6         C  31   4.175 -22.416  -1.962
  332    H3T    C  31           H3T        C  31   7.169 -25.914  -0.674
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  -8.195 -23.227   7.027
    2   2H5*    G   1          2H5*        G   1  -7.963 -21.565   7.599
    3    H4*    G   1           H4*        G   1  -6.390 -22.973   8.743
    4    H3*    G   1           H3*        G   1  -5.088 -21.267   6.614
    5    H2*    G   1           H2*        G   1  -2.984 -22.061   7.452
    6   2HO*    G   1          2HO*        G   1  -3.678 -22.082   9.661
    7    H1*    G   1           H1*        G   1  -3.671 -24.621   7.407
    8    H8     G   1           H8         G   1  -5.757 -23.413   4.589
    9    H1     G   1           H1         G   1   0.534 -23.362   3.236
   10   1H2     G   1          1H2         G   1   1.655 -23.575   5.130
   11   2H2     G   1          2H2         G   1   0.804 -23.801   6.659
   12    H5T    G   1           H5T        G   1  -6.797 -21.120   5.695
   13   1H5*    G   2          1H5*        G   2  -2.905 -20.600  10.090
   14   2H5*    G   2          2H5*        G   2  -2.637 -18.871  10.335
   15    H4*    G   2           H4*        G   2  -0.534 -20.112  10.402
   16    H3*    G   2           H3*        G   2  -0.823 -18.224   8.053
   17    H2*    G   2           H2*        G   2   1.474 -18.808   7.532
   18   2HO*    G   2          2HO*        G   2   2.028 -18.933   9.810
   19    H1*    G   2           H1*        G   2   1.138 -21.430   7.723
   20    H8     G   2           H8         G   2  -2.211 -20.417   6.473
   21    H1     G   2           H1         G   2   2.434 -19.889   2.045
   22   1H2     G   2          1H2         G   2   4.389 -19.937   3.053
   23   2H2     G   2          2H2         G   2   4.487 -20.235   4.790
   24   1H5*    A   3          1H5*        A   3   3.005 -17.589   9.796
   25   2H5*    A   3          2H5*        A   3   3.345 -15.870   9.990
   26    H4*    A   3           H4*        A   3   5.127 -17.002   8.749
   27    H3*    A   3           H3*        A   3   3.555 -14.952   7.155
   28    H2*    A   3           H2*        A   3   5.069 -15.397   5.364
   29   2HO*    A   3          2HO*        A   3   6.882 -15.625   6.851
   30    H1*    A   3           H1*        A   3   4.960 -18.046   5.496
   31    H8     A   3           H8         A   3   1.497 -17.073   6.500
   32   1H6     A   3          1H6         A   3   0.410 -16.505   0.412
   33   2H6     A   3          2H6         A   3  -0.290 -16.542   2.043
   34    H2     A   3           H2         A   3   4.774 -16.795   0.973
   35   1H5*    U   4          1H5*        U   4   7.620 -14.232   6.451
   36   2H5*    U   4          2H5*        U   4   7.989 -12.511   6.424
   37    H4*    U   4           H4*        U   4   8.618 -13.594   4.325
   38    H3*    U   4           H3*        U   4   6.328 -11.613   4.008
   39    H2*    U   4           H2*        U   4   6.638 -11.999   1.652
   40   2HO*    U   4          2HO*        U   4   8.936 -12.147   1.842
   41    H1*    U   4           H1*        U   4   6.689 -14.672   1.831
   42    H3     U   4           H3         U   4   2.642 -13.350   0.172
   43    H5     U   4           H5         U   4   2.167 -13.272   4.333
   44    H6     U   4           H6         U   4   4.524 -13.631   4.590
   45   1H5*    A   5          1H5*        A   5   9.342 -10.585   1.216
   46   2H5*    A   5          2H5*        A   5   9.550  -8.831   1.153
   47    H4*    A   5           H4*        A   5   9.140  -9.709  -1.069
   48    H3*    A   5           H3*        A   5   6.837  -8.017  -0.022
   49    H2*    A   5           H2*        A   5   5.868  -8.311  -2.180
   50   2HO*    A   5          2HO*        A   5   7.962  -8.156  -3.253
   51    H1*    A   5           H1*        A   5   6.256 -10.961  -2.319
   52    H8     A   5           H8         A   5   5.696 -10.295   1.337
   53   1H6     A   5          1H6         A   5  -0.329 -10.541  -0.077
   54   2H6     A   5          2H6         A   5   0.876 -10.575   1.217
   55    H2     A   5           H2         A   5   1.896 -10.127  -3.853
   56   1H5*    U   6          1H5*        U   6   7.618  -6.566  -3.944
   57   2H5*    U   6          2H5*        U   6   7.485  -4.802  -3.892
   58    H4*    U   6           H4*        U   6   5.929  -5.819  -5.503
   59    H3*    U   6           H3*        U   6   4.528  -4.618  -3.104
   60    H2*    U   6           H2*        U   6   2.535  -4.835  -4.446
   61   2HO*    U   6          2HO*        U   6   3.578  -4.511  -6.551
   62    H1*    U   6           H1*        U   6   3.053  -7.362  -4.985
   63    H3     U   6           H3         U   6  -0.175  -7.149  -1.792
   64    H5     U   6           H5         U   6   3.440  -6.974   0.344
   65    H6     U   6           H6         U   6   4.633  -6.784  -1.732
   66   1H5*    A   7          1H5*        A   7   3.193  -0.774  -6.261
   67   2H5*    A   7          2H5*        A   7   2.918  -1.825  -4.883
   68    H4*    A   7           H4*        A   7   1.366  -1.895  -7.510
   69    H3*    A   7           H3*        A   7   0.769  -0.774  -4.766
   70    H2*    A   7           H2*        A   7  -1.545  -1.450  -5.064
   71   2HO*    A   7          2HO*        A   7  -1.441  -0.932  -7.389
   72    H1*    A   7           H1*        A   7  -0.998  -3.933  -5.807
   73    H8     A   7           H8         A   7   1.950  -3.139  -3.664
   74   1H6     A   7          1H6         A   7  -1.712  -4.529   1.173
   75   2H6     A   7          2H6         A   7  -0.062  -4.255   0.636
   76    H2     A   7           H2         A   7  -4.268  -4.107  -2.414
   77   1H5*    U   8          1H5*        U   8  -2.381   0.445  -7.230
   78   2H5*    U   8          2H5*        U   8  -2.725   2.176  -7.063
   79    H4*    U   8           H4*        U   8  -4.735   0.761  -6.647
   80    H3*    U   8           H3*        U   8  -3.650   2.249  -4.271
   81    H2*    U   8           H2*        U   8  -5.792   1.633  -3.191
   82   2HO*    U   8          2HO*        U   8  -6.848   1.323  -5.506
   83    H1*    U   8           H1*        U   8  -5.323  -0.909  -3.625
   84    H3     U   8           H3         U   8  -3.761   0.568   0.575
   85    H5     U   8           H5         U   8  -0.449   0.273  -1.970
   86    H6     U   8           H6         U   8  -1.964   0.011  -3.810
   87   1H5*    G   9          1H5*        G   9  -8.570   2.381  -4.665
   88   2H5*    G   9          2H5*        G   9  -9.052   4.040  -5.086
   89    H4*    G   9           H4*        G   9  -9.860   3.406  -2.864
   90    H3*    G   9           H3*        G   9  -7.742   5.599  -2.832
   91    H2*    G   9           H2*        G   9  -8.003   5.678  -0.524
   92   2HO*    G   9          2HO*        G   9 -10.270   5.568  -0.551
   93    H1*    G   9           H1*        G   9  -8.101   3.032  -0.036
   94    H8     G   9           H8         G   9  -5.536   3.534  -2.848
   95    H1     G   9           H1         G   9  -3.282   4.648   3.070
   96   1H2     G   9          1H2         G   9  -4.954   4.807   4.480
   97   2H2     G   9          2H2         G   9  -6.607   4.534   3.920
   98   1H5*    A  10          1H5*        A  10  -9.962   9.574  -0.664
   99   2H5*    A  10          2H5*        A  10  -8.396   8.794  -0.763
  100    H4*    A  10           H4*        A  10 -10.422   8.455   1.483
  101    H3*    A  10           H3*        A  10  -7.863   9.957   1.024
  102    H2*    A  10           H2*        A  10  -7.142   9.546   3.281
  103   2HO*    A  10          2HO*        A  10  -9.354   9.704   4.134
  104    H1*    A  10           H1*        A  10  -7.554   6.935   3.202
  105    H8     A  10           H8         A  10  -6.985   7.402  -0.436
  106   1H6     A  10          1H6         A  10  -0.940   7.712   0.927
  107   2H6     A  10          2H6         A  10  -2.152   7.540  -0.355
  108    H2     A  10           H2         A  10  -3.148   8.355   4.663
  109   1H5*    U  11          1H5*        U  11  -8.767  11.279   4.868
  110   2H5*    U  11          2H5*        U  11  -8.843  13.053   4.832
  111    H4*    U  11           H4*        U  11  -7.200  12.301   6.485
  112    H3*    U  11           H3*        U  11  -5.984  13.498   3.992
  113    H2*    U  11           H2*        U  11  -3.923  13.594   5.214
  114   2HO*    U  11          2HO*        U  11  -4.885  13.911   7.361
  115    H1*    U  11           H1*        U  11  -4.112  11.039   5.910
  116    H3     U  11           H3         U  11  -1.199  11.564   2.454
  117    H5     U  11           H5         U  11  -4.931  10.973   0.625
  118    H6     U  11           H6         U  11  -5.935  11.125   2.800
  119   1H5*    A  12          1H5*        A  12  -5.012  17.612   6.709
  120   2H5*    A  12          2H5*        A  12  -4.607  16.428   5.460
  121    H4*    A  12           H4*        A  12  -2.976  16.982   7.974
  122    H3*    A  12           H3*        A  12  -2.760  17.824   5.077
  123    H2*    A  12           H2*        A  12  -0.347  17.704   5.295
  124   2HO*    A  12          2HO*        A  12  -0.476  18.532   7.503
  125    H1*    A  12           H1*        A  12  -0.271  15.381   6.507
  126    H8     A  12           H8         A  12  -3.244  15.178   4.218
  127   1H6     A  12          1H6         A  12   0.836  13.275  -0.024
  128   2H6     A  12          2H6         A  12  -0.896  13.431   0.342
  129    H2     A  12           H2         A  12   3.108  14.760   3.396
  130   1H5*    C  13          1H5*        C  13   0.257  19.887   7.154
  131   2H5*    C  13          2H5*        C  13   0.062  21.641   6.854
  132    H4*    C  13           H4*        C  13   2.375  21.031   6.473
  133    H3*    C  13           H3*        C  13   0.850  21.635   3.969
  134    H2*    C  13           H2*        C  13   2.887  21.228   2.799
  135   2HO*    C  13          2HO*        C  13   4.163  22.436   4.242
  136    H1*    C  13           H1*        C  13   3.794  19.143   4.255
  137   1H4     C  13          1H4         C  13   1.406  16.462  -0.781
  138   2H4     C  13          2H4         C  13  -0.251  16.519  -0.155
  139    H5     C  13           H5         C  13  -0.764  17.578   1.988
  140    H6     C  13           H6         C  13   0.170  18.888   3.768
  141   1H5*    A  14          1H5*        A  14   2.853  25.161   1.311
  142   2H5*    A  14          2H5*        A  14   1.759  23.810   1.262
  143    H4*    A  14           H4*        A  14   4.724  23.760   0.607
  144    H3*    A  14           H3*        A  14   2.192  23.673  -0.860
  145    H2*    A  14           H2*        A  14   3.039  21.971  -2.392
  146   2HO*    A  14          2HO*        A  14   5.237  22.941  -2.203
  147    H1*    A  14           H1*        A  14   3.881  20.327  -0.568
  148    H8     A  14           H8         A  14   1.380  21.918   1.603
  149   1H6     A  14          1H6         A  14  -2.832  18.478  -1.345
  150   2H6     A  14          2H6         A  14  -2.512  19.533   0.058
  151    H2     A  14           H2         A  14   0.866  18.218  -3.633
  152   1H5*    A  15          1H5*        A  15   5.314  23.237  -3.816
  153   2H5*    A  15          2H5*        A  15   5.185  24.542  -4.978
  154    H4*    A  15           H4*        A  15   5.180  22.194  -5.946
  155    H3*    A  15           H3*        A  15   3.901  24.387  -6.926
  156    H2*    A  15           H2*        A  15   2.013  24.057  -5.538
  157   2HO*    A  15          2HO*        A  15   1.767  24.002  -8.128
  158    H1*    A  15           H1*        A  15   1.980  21.217  -6.621
  159    H8     A  15           H8         A  15   1.502  23.138  -3.302
  160   1H6     A  15          1H6         A  15  -4.057  20.346  -3.258
  161   2H6     A  15          2H6         A  15  -3.004  21.525  -2.422
  162    H2     A  15           H2         A  15  -1.812  18.836  -6.673
  163   1H5*    U  16          1H5*        U  16   2.412  20.098  -9.154
  164   2H5*    U  16          2H5*        U  16   2.606  20.653 -10.825
  165    H4*    U  16           H4*        U  16   0.596  19.349 -10.798
  166    H3*    U  16           H3*        U  16   0.029  22.338 -10.691
  167    H2*    U  16           H2*        U  16  -2.108  22.077 -10.586
  168   2HO*    U  16          2HO*        U  16  -1.691  19.766 -12.185
  169    H1*    U  16           H1*        U  16  -2.179  19.449  -9.500
  170    H3     U  16           H3         U  16  -4.879  21.953  -6.774
  171    H5     U  16           H5         U  16  -1.124  23.829  -6.534
  172    H6     U  16           H6         U  16  -0.295  22.261  -8.081
  173   1H5*    U  17          1H5*        U  17   3.136  18.538 -14.027
  174   2H5*    U  17          2H5*        U  17   1.592  17.801 -13.708
  175    H4*    U  17           H4*        U  17   3.606  18.327 -11.484
  176    H3*    U  17           H3*        U  17   3.986  16.414 -13.538
  177    H2*    U  17           H2*        U  17   2.980  14.454 -12.802
  178   2HO*    U  17          2HO*        U  17   4.495  14.256 -11.204
  179    H1*    U  17           H1*        U  17   1.328  15.206 -10.726
  180    H3     U  17           H3         U  17  -2.536  16.047 -13.092
  181    H5     U  17           H5         U  17   0.387  15.525 -16.031
  182    H6     U  17           H6         U  17   2.053  15.451 -14.331
  183   1H5*    U  18          1H5*        U  18   6.540  13.607 -10.055
  184   2H5*    U  18          2H5*        U  18   5.645  15.032  -9.562
  185    H4*    U  18           H4*        U  18   8.583  14.805  -8.871
  186    H3*    U  18           H3*        U  18   6.489  13.067  -7.909
  187    H2*    U  18           H2*        U  18   6.140  13.868  -5.703
  188   2HO*    U  18          2HO*        U  18   8.333  13.808  -5.137
  189    H1*    U  18           H1*        U  18   6.513  16.514  -6.021
  190    H3     U  18           H3         U  18   2.581  17.891  -7.957
  191    H5     U  18           H5         U  18   2.437  13.711  -8.087
  192    H6     U  18           H6         U  18   4.658  13.608  -7.304
  193   1H5*    G  19          1H5*        G  19   8.942  10.432  -3.865
  194   2H5*    G  19          2H5*        G  19   7.185  10.621  -4.036
  195    H4*    G  19           H4*        G  19   8.997  12.512  -2.485
  196    H3*    G  19           H3*        G  19   7.280  10.200  -1.511
  197    H2*    G  19           H2*        G  19   6.721  11.461   0.361
  198   2HO*    G  19          2HO*        G  19   8.907  12.124   0.686
  199    H1*    G  19           H1*        G  19   6.549  13.922  -0.862
  200    H8     G  19           H8         G  19   4.071  14.176  -0.221
  201    H1     G  19           H1         G  19   2.408   8.614  -3.010
  202   1H2     G  19          1H2         G  19   4.299   7.523  -3.673
  203   2H2     G  19          2H2         G  19   5.852   8.299  -3.380
  204   1H5*    A  20          1H5*        A  20   8.537   8.255   2.630
  205   2H5*    A  20          2H5*        A  20   7.144   8.802   1.714
  206    H4*    A  20           H4*        A  20   8.429  10.286   4.044
  207    H3*    A  20           H3*        A  20   6.037   8.491   3.707
  208    H2*    A  20           H2*        A  20   4.748   9.882   5.200
  209   2HO*    A  20          2HO*        A  20   6.691  10.275   6.554
  210    H1*    A  20           H1*        A  20   5.349  12.186   4.034
  211    H8     A  20           H8         A  20   5.637   9.944   1.064
  212   1H6     A  20          1H6         A  20  -0.592  10.282   0.830
  213   2H6     A  20          2H6         A  20   0.837   9.869  -0.083
  214    H2     A  20           H2         A  20   0.647  11.640   4.783
  215   1H5*    U  21          1H5*        U  21   5.776   9.203   7.829
  216   2H5*    U  21          2H5*        U  21   5.605   7.637   8.648
  217    H4*    U  21           H4*        U  21   3.684   9.070   9.121
  218    H3*    U  21           H3*        U  21   3.029   6.796   7.241
  219    H2*    U  21           H2*        U  21   0.714   7.354   7.688
  220   2HO*    U  21          2HO*        U  21   1.030   8.149   9.900
  221    H1*    U  21           H1*        U  21   1.118   9.888   7.096
  222    H3     U  21           H3         U  21  -0.811   7.895   3.488
  223    H5     U  21           H5         U  21   3.295   7.259   2.970
  224    H6     U  21           H6         U  21   3.662   8.152   5.179
  225   1H5*    C  22          1H5*        C  22   0.585   4.557  11.032
  226   2H5*    C  22          2H5*        C  22   0.963   4.908   9.362
  227    H4*    C  22           H4*        C  22  -1.535   5.865  10.832
  228    H3*    C  22           H3*        C  22  -0.997   3.677   8.815
  229    H2*    C  22           H2*        C  22  -3.298   3.902   8.102
  230   2HO*    C  22          2HO*        C  22  -4.148   4.574  10.241
  231    H1*    C  22           H1*        C  22  -3.052   6.475   7.745
  232   1H4     C  22          1H4         C  22  -0.911   3.947   2.398
  233   2H4     C  22          2H4         C  22   0.747   4.027   2.997
  234    H5     C  22           H5         C  22   1.300   4.651   5.259
  235    H6     C  22           H6         C  22   0.373   5.401   7.382
  236   1H5*    A  23          1H5*        A  23  -4.756   0.988  11.234
  237   2H5*    A  23          2H5*        A  23  -3.694   1.353   9.882
  238    H4*    A  23           H4*        A  23  -6.647   2.093  10.073
  239    H3*    A  23           H3*        A  23  -5.110  -0.073   8.640
  240    H2*    A  23           H2*        A  23  -6.625   0.149   6.777
  241   2HO*    A  23          2HO*        A  23  -8.505   0.547   8.093
  242    H1*    A  23           H1*        A  23  -6.449   2.767   6.565
  243    H8     A  23           H8         A  23  -3.124   1.925   8.026
  244   1H6     A  23          1H6         A  23  -1.438   0.366   2.285
  245   2H6     A  23          2H6         A  23  -0.892   0.591   3.965
  246    H2     A  23           H2         A  23  -5.778   0.930   2.259
  247   1H5*    G  24          1H5*        G  24  -9.218  -0.965   8.082
  248   2H5*    G  24          2H5*        G  24  -9.502  -2.711   8.122
  249    H4*    G  24           H4*        G  24 -10.155  -1.626   5.960
  250    H3*    G  24           H3*        G  24  -7.846  -3.562   5.832
  251    H2*    G  24           H2*        G  24  -8.091  -3.487   3.427
  252   2HO*    G  24          2HO*        G  24 -10.456  -3.071   3.431
  253    H1*    G  24           H1*        G  24  -7.996  -0.789   3.457
  254    H8     G  24           H8         G  24  -5.904  -1.720   6.412
  255    H1     G  24           H1         G  24  -3.010  -2.924   0.813
  256   1H2     G  24          1H2         G  24  -4.481  -2.737  -0.790
  257   2H2     G  24          2H2         G  24  -6.132  -2.205  -0.455
  258   1H5*    U  25          1H5*        U  25 -11.387  -6.617   3.352
  259   2H5*    U  25          2H5*        U  25  -9.729  -6.116   3.715
  260    H4*    U  25           H4*        U  25 -11.269  -5.404   1.171
  261    H3*    U  25           H3*        U  25  -9.140  -7.474   1.766
  262    H2*    U  25           H2*        U  25  -8.381  -7.158  -0.493
  263   2HO*    U  25          2HO*        U  25 -10.413  -6.954  -1.463
  264    H1*    U  25           H1*        U  25  -8.409  -4.477  -0.407
  265    H3     U  25           H3         U  25  -4.022  -5.604  -0.067
  266    H5     U  25           H5         U  25  -5.491  -6.176   3.800
  267    H6     U  25           H6         U  25  -7.746  -5.764   2.970
  268   1H5*    A  26          1H5*        A  26 -10.057 -10.652  -2.525
  269   2H5*    A  26          2H5*        A  26  -8.617 -10.160  -1.659
  270    H4*    A  26           H4*        A  26  -9.797  -8.829  -4.128
  271    H3*    A  26           H3*        A  26  -7.443 -10.557  -3.462
  272    H2*    A  26           H2*        A  26  -5.955  -9.300  -4.812
  273   2HO*    A  26          2HO*        A  26  -7.695  -9.016  -6.459
  274    H1*    A  26           H1*        A  26  -6.685  -6.885  -4.037
  275    H8     A  26           H8         A  26  -7.322  -8.848  -0.937
  276   1H6     A  26          1H6         A  26  -1.251  -8.135   0.192
  277   2H6     A  26          2H6         A  26  -2.806  -8.643   0.869
  278    H2     A  26           H2         A  26  -1.970  -7.001  -3.979
  279   1H5*    U  27          1H5*        U  27  -6.876 -10.247  -7.473
  280   2H5*    U  27          2H5*        U  27  -6.557 -11.822  -8.208
  281    H4*    U  27           H4*        U  27  -4.680 -10.328  -8.570
  282    H3*    U  27           H3*        U  27  -4.010 -12.554  -6.618
  283    H2*    U  27           H2*        U  27  -1.752 -11.708  -6.793
  284   2HO*    U  27          2HO*        U  27  -1.930 -11.267  -9.044
  285    H1*    U  27           H1*        U  27  -2.411  -9.130  -6.470
  286    H3     U  27           H3         U  27  -0.543 -10.587  -2.564
  287    H5     U  27           H5         U  27  -4.582 -11.693  -2.291
  288    H6     U  27           H6         U  27  -4.884 -11.033  -4.592
  289   1H5*    A  28          1H5*        A  28  -1.097 -12.648  -9.688
  290   2H5*    A  28          2H5*        A  28  -0.716 -14.318 -10.127
  291    H4*    A  28           H4*        A  28   1.304 -13.100  -9.537
  292    H3*    A  28           H3*        A  28   0.592 -15.265  -7.529
  293    H2*    A  28           H2*        A  28   2.678 -14.716  -6.483
  294   2HO*    A  28          2HO*        A  28   3.679 -14.316  -8.623
  295    H1*    A  28           H1*        A  28   2.301 -12.069  -6.480
  296    H8     A  28           H8         A  28  -1.164 -13.450  -6.084
  297   1H6     A  28          1H6         A  28   0.263 -13.879  -0.059
  298   2H6     A  28          2H6         A  28  -1.030 -13.917  -1.261
  299    H2     A  28           H2         A  28   4.017 -13.254  -2.274
  300   1H5*    U  29          1H5*        U  29   4.591 -15.830  -8.457
  301   2H5*    U  29          2H5*        U  29   4.991 -17.543  -8.619
  302    H4*    U  29           H4*        U  29   6.379 -16.458  -6.938
  303    H3*    U  29           H3*        U  29   4.472 -18.501  -5.718
  304    H2*    U  29           H2*        U  29   5.718 -18.069  -3.705
  305   2HO*    U  29          2HO*        U  29   7.735 -17.863  -4.777
  306    H1*    U  29           H1*        U  29   5.592 -15.411  -3.869
  307    H3     U  29           H3         U  29   2.571 -16.813  -0.751
  308    H5     U  29           H5         U  29   0.483 -16.897  -4.385
  309    H6     U  29           H6         U  29   2.542 -16.492  -5.550
  310   1H5*    C  30          1H5*        C  30   8.362 -19.356  -4.446
  311   2H5*    C  30          2H5*        C  30   8.664 -21.094  -4.368
  312    H4*    C  30           H4*        C  30   9.078 -19.995  -2.212
  313    H3*    C  30           H3*        C  30   6.706 -21.915  -2.156
  314    H2*    C  30           H2*        C  30   6.719 -21.492   0.209
  315   2HO*    C  30          2HO*        C  30   9.125 -21.307   0.143
  316    H1*    C  30           H1*        C  30   6.863 -18.819  -0.008
  317   1H4     C  30          1H4         C  30   0.746 -20.093   0.115
  318   2H4     C  30          2H4         C  30   0.652 -20.061  -1.651
  319    H5     C  30           H5         C  30   2.641 -20.031  -3.046
  320    H6     C  30           H6         C  30   5.032 -19.816  -3.025
  321   1H5*    C  31          1H5*        C  31   9.063 -22.761   1.103
  322   2H5*    C  31          2H5*        C  31   9.360 -24.492   1.238
  323    H4*    C  31           H4*        C  31   8.412 -23.663   3.322
  324    H3*    C  31           H3*        C  31   6.463 -25.329   1.684
  325    H2*    C  31           H2*        C  31   5.042 -25.260   3.610
  326   2HO*    C  31          2HO*        C  31   6.889 -25.426   5.089
  327    H1*    C  31           H1*        C  31   5.398 -22.579   4.031
  328   1H4     C  31          1H4         C  31   0.202 -23.191   0.625
  329   2H4     C  31          2H4         C  31   1.109 -23.098  -0.907
  330    H5     C  31           H5         C  31   3.559 -23.100  -0.967
  331    H6     C  31           H6         C  31   5.529 -23.115   0.388
  332    H3T    C  31           H3T        C  31   8.331 -26.425   2.370